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Negative elongation factor D

Essential component of the NELF complex, a complex that negatively regulates the elongation of transcription by RNA polymerase II by RNA polymerase II. The NELF complex, which acts via an association with the DSIF complex, causes transcriptional pausing.

AlphaFold DB , UniProt , Accession Q24134, Species DROME (Drosophila melanogaster, Fruit fly), Gene TH1, Length 578 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	34.9	Very low	231 Å²	231	157.3 Å²	157.3	100%	1.138	79%	0.79	S	S	*	*				0	101.7	0	-73.9	174.5	-172.6	0	0	105.3	V3	M1-V3 PolarHBondContact O-N 2.89Å; M1-V3 VanDerWaalsContact O-N 3.12Å
2	E	32.7	Very low	34.5	Very low	195 Å²	195	149.6 Å²	149.6	91%	0.911	78%	0.78	S	S	*	*			trans	-63.7	110.2	168.1	-73.4	175.4	165	0	0	105.7	E4	E2-E4 PolarHBondContact O-N 3.13Å; E2-E4 VanDerWaalsContact O-N 3.08Å
3	V	37.9	Very low	34	Very low	125 Å²	125	155.5 Å²	155.5	76%	0.758	79%	0.786	S	S	*	*			trans	-73.4	100	174.5	-174.8	0	0	0	0	104.5	M1 Y5	M1-V3 PolarHBondContact O-N 2.89Å; M1-V3 VanDerWaalsContact O-N 3.12Å; V3-Y5 PolarHBondContact O-N 3.07Å
4	E	34.9	Very low	34	Very low	184 Å²	184	151.9 Å²	151.9	86%	0.86	79%	0.792	S	S	*	*			trans	-55.2	112.1	169	-76.3	-177.7	160	0	0	107.5	E2 D6	E2-E4 PolarHBondContact O-N 3.13Å; E2-E4 VanDerWaalsContact O-N 3.08Å; E4-D6 PolarHBondContact O-N 3.1Å; E4-D6 VanDerWaalsContact O-N 3.09Å
5	Y	35	Very low	33.9	Very low	224 Å²	224	154.2 Å²	154.2	88%	0.878	79%	0.793	S	S	*	*			trans	-69.2	102.2	174.1	-120.7	-96.9	0	0	0	107.1	V3 D7	V3-Y5 PolarHBondContact O-N 3.07Å; Y5-D7 PolarHBondContact O-N 2.77Å
6	D	35.8	Very low	33.6	Very low	122 Å²	122	149 Å²	149	65%	0.652	79%	0.789	S	S	*	*			trans	-76.1	104.4	174.9	-171.1	7.3	0	0	0	109.4	E4 S8	E4-D6 PolarHBondContact O-N 3.1Å; E4-D6 VanDerWaalsContact O-N 3.09Å; D6-S8 PolarHBondContact O-N 2.83Å; D6-S8 VanDerWaalsContact O-N 3.13Å; D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.49Å; D6-S8 VanDerWaalsContact OD1-N 3.11Å; D6-S8 PolarHBondContact OD1-OG 3.46Å; D6-S8 PolarHBondContact OD2-OG 3.24Å
7	D	35.6	Very low	33.5	Very low	131 Å²	131	151.7 Å²	151.7	70%	0.701	80%	0.796	S	S	*	*	G	3₁₀ helix	trans	-69.3	-0.3	177.5	-144.2	6.9	0	0	0	112.3	Y5 G9	Y5-D7 PolarHBondContact O-N 2.77Å; D7-G9 PolarHBondContact O-N 2.85Å
8	S	35.3	Very low	33.2	Very low	67 Å²	67	150.6 Å²	150.6	47%	0.469	80%	0.797	S	S	.	*	G	3₁₀ helix	trans	-68.1	-12.9	179.1	78.2	0	0	0	0	114.4	D6 W10 Q11	D6-S8 PolarHBondContact O-N 2.83Å; D6-S8 VanDerWaalsContact O-N 3.13Å; D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.49Å; D6-S8 VanDerWaalsContact OD1-N 3.11Å; D6-S8 PolarHBondContact OD1-OG 3.46Å; D6-S8 PolarHBondContact OD2-OG 3.24Å; S8-W10 PolarHBondContact O-N 2.98Å; S8-W10 VanDerWaalsContact O-N 3.11Å; S8-Q11 PolarHBondContact O-N 3.49Å
9	G	31.6	Very low	33.1	Very low	69 Å²	69	151.1 Å²	151.1	71%	0.711	80%	0.8	S	S	*	*	G	3₁₀ helix	trans	-58.7	-23.9	178.6	0	0	0	0	0	114.7	D7	D7-G9 PolarHBondContact O-N 2.85Å
10	W	38.7	Very low	33.4	Very low	198 Å²	198	149 Å²	149	75%	0.75	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-81.5	-17.4	177.6	-67.7	92.6	0	0	0	113.9	S8	S8-W10 PolarHBondContact O-N 2.98Å; S8-W10 VanDerWaalsContact O-N 3.11Å
11	Q	30	Very low	33.3	Very low	184 Å²	184	151 Å²	151	86%	0.86	80%	0.8	S	S	*	*	G	3₁₀ helix	trans	-116.4	43.1	-175.6	-63.6	-173	8.8	0	0	112.2	S8 R13	S8-Q11 PolarHBondContact O-N 3.49Å; Q11-R13 PolarHBondContact O-N 3.5Å
12	G	30.7	Very low	33.2	Very low	65 Å²	65	147.7 Å²	147.7	67%	0.67	78%	0.782	S	S	*	*			trans	-83.7	103.5	170.7	0	0	0	0	0	113.3
13	R	27.8	Very low	33.4	Very low	227 Å²	227	145.6 Å²	145.6	86%	0.857	78%	0.782	S	S	*	*			trans	29.8	87.1	148.3	-69.7	176.9	169.1	173.4	-1	118.2	Q11	Q11-R13 PolarHBondContact O-N 3.5Å
14	A	34.2	Very low	33.6	Very low	105 Å²	105	145.9 Å²	145.9	87%	0.868	78%	0.779	S	S	*	*			trans	-90.8	93.4	146.1	0	0	0	0	0	108.2
15	K	31.8	Very low	34.2	Very low	186 Å²	186	146.4 Å²	146.4	81%	0.809	78%	0.782	S	S	*	*			trans	-68	128.9	163.4	-84.6	-178.6	174.7	178.6	0	107.4	Q17	K15-Q17 PolarHBondContact O-N 2.87Å
16	G	28.8	Very low	35.2	Very low	71 Å²	71	141.3 Å²	141.3	73%	0.732	77%	0.769	S	S	*	*			trans	-58.2	129.8	-172	0	0	0	0	0	114
17	Q	32.8	Very low	37.2	Very low	195 Å²	195	139.3 Å²	139.3	91%	0.911	76%	0.759	S	S	*	*			trans	-128.2	86.9	143.4	-82	-179.3	-11.7	0	0	106.5	K15 N19	K15-Q17 PolarHBondContact O-N 2.87Å; Q17-N19 PolarHBondContact O-N 2.92Å
18	T	27.4	Very low	39.4	Very low	132 Å²	132	136.4 Å²	136.4	81%	0.81	75%	0.747	S	S	*	*			trans	-73.2	95	161.5	42.3	0	0	0	0	107.3
19	N	31.5	Very low	41.7	Very low	160 Å²	160	140.3 Å²	140.3	86%	0.856	76%	0.758	S	S	*	*			trans	-93.3	115	155	-111	-0.3	0	0	0	107.2	Q17 E21	Q17-N19 PolarHBondContact O-N 2.92Å; N19-E21 PolarHBondContact O-N 3.04Å
20	P	39.6	Very low	44.5	Very low	108 Å²	108	143.1 Å²	143.1	70%	0.701	75%	0.751	S	S	*	*			trans	-94.7	95.6	-175.4	34	-26.9	0	0	0	109.3
21	E	31.7	Very low	46.8	Very low	191 Å²	191	133.8 Å²	133.8	89%	0.893	72%	0.715	S	S	*	*			trans	-164.2	135.4	161.7	-108.4	154.3	-148.5	0	0	109.1	N19	N19-E21 PolarHBondContact O-N 3.04Å
22	E	34.4	Very low	49.6	Very low	162 Å²	162	126.7 Å²	126.7	76%	0.757	68%	0.683	S	S	*	*			trans	81.4	71.3	-176.5	-54.4	-170.3	175.4	0	0	116.5	L24	E22-L24 HydrophobicContact CB-CD1 4.48Å; E22-L24 HydrophobicContact CB-CG 4.43Å; E22-L24 PolarHBondContact O-N 3.01Å
23	T	36.3	Very low	52.5	Low	151 Å²	151	128.3 Å²	128.3	93%	0.926	67%	0.673	S	S	*	*			trans	-61.6	69.5	144.7	30.3	0	0	0	0	109.9
24	L	41.7	Very low	55.5	Low	131 Å²	131	120.5 Å²	120.5	69%	0.686	65%	0.646	S	S	*	*			trans	-73.1	121	155.2	-75.4	162.8	0	0	0	105.7	E22 D26	E22-L24 HydrophobicContact CB-CD1 4.48Å; E22-L24 HydrophobicContact CB-CG 4.43Å; E22-L24 PolarHBondContact O-N 3.01Å; L24-D26 VanDerWaalsContact C-N 3.3Å; L24-D26 PolarHBondContact O-N 3.1Å
25	E	48	Very low	58.3	Low	196 Å²	196	115.5 Å²	115.5	92%	0.916	61%	0.605	S	S	*	*			trans	-52.7	97	171.1	-68.5	176.4	156.5	0	0	108.6	N27	E25-N27 VanDerWaalsContact C-N 3.28Å; E25-N27 PolarHBondContact O-N 3.41Å
26	D	55.9	Low	61.1	Low	117 Å²	117	107.5 Å²	107.5	63%	0.626	57%	0.571	S	S	*	*			trans	-71.4	88.8	-175.9	-152.3	-1.5	0	0	0	106.9	L24 P28 T31	L24-D26 VanDerWaalsContact C-N 3.3Å; L24-D26 PolarHBondContact O-N 3.1Å; D26-P28 WeakPolarHBondContact O-CD 3.44Å; D26-T31 PolarHBondContact OD1-OG1 3.13Å; D26-T31 VanDerWaalsContact OD1-OG1 3.1Å
27	N	77.2	Confident	64.2	Low	79 Å²	79	109.4 Å²	109.4	42%	0.422	56%	0.561	S	S	.	*			trans	-58.9	112.2	-178.4	-178.9	-9.2	0	0	0	107.9	E25 Q29 K30 T31	E25-N27 VanDerWaalsContact C-N 3.28Å; E25-N27 PolarHBondContact O-N 3.41Å; N27-Q29 PolarHBondContact O-N 3.19Å; N27-Q29 WeakPolarHBondContact OD1-CB 3.41Å; N27-Q29 PolarHBondContact OD1-N 3.23Å; N27-Q29 VanDerWaalsContact OD1-N 3.13Å; N27-K30 HydrophobicContact CB-CB 4.03Å; N27-K30 WeakPolarHBondContact O-CB 3.11Å; N27-K30 PolarHBondContact O-N 3.28Å; N27-T31 PolarHBondContact O-N 2.91Å; N27-T31 VanDerWaalsContact O-N 3.1Å
28	P	81.5	Confident	67	Low	71 Å²	71	104.1 Å²	104.1	46%	0.461	54%	0.535	S	S	.	.	H	α-helix	trans	-56.6	-33.4	-175.4	-24.3	33.9	0	0	0	111.9	D26 T31 I32	D26-P28 WeakPolarHBondContact O-CD 3.44Å; P28-T31 PolarHBondContact O-N 3.48Å; P28-I32 WeakPolarHBondContact O-CB 3.26Å; P28-I32 VanDerWaalsContact O-CG1 3.26Å; P28-I32 WeakPolarHBondContact O-CG1 3.44Å; P28-I32 PolarHBondContact O-N 3.22Å
29	Q	85.3	Confident	70.1	Confident	148 Å²	148	97.9 Å²	97.9	69%	0.692	50%	0.496	S	S	*	.	H	α-helix	trans	-66.1	-38.2	177.2	-64.5	178.2	-16.9	0	0	112.4	N27 Q33	N27-Q29 PolarHBondContact O-N 3.19Å; N27-Q29 WeakPolarHBondContact OD1-CB 3.41Å; N27-Q29 PolarHBondContact OD1-N 3.23Å; N27-Q29 VanDerWaalsContact OD1-N 3.13Å; Q29-Q33 WeakPolarHBondContact O-CB 3.13Å; Q29-Q33 PolarHBondContact O-N 3.06Å
30	K	89	Confident	73.1	Confident	129 Å²	129	94.5 Å²	94.5	56%	0.561	48%	0.478	S	S	*	.	H	α-helix	trans	-68.4	-44.1	177	-171.6	-176.5	174.4	-168.5	0	110.4	N27 I32 Q33 E34	N27-K30 HydrophobicContact CB-CB 4.03Å; N27-K30 WeakPolarHBondContact O-CB 3.11Å; N27-K30 PolarHBondContact O-N 3.28Å; K30-I32 PolarHBondContact O-N 3.42Å; K30-Q33 PolarHBondContact O-N 3.02Å; K30-E34 WeakPolarHBondContact CE-OE1 3.3Å; K30-E34 WeakPolarHBondContact O-CG 3.38Å; K30-E34 PolarHBondContact O-N 3.43Å
31	T	87.4	Confident	75.6	Confident	1 Å²	1	92.2 Å²	92.2	1%	0.006	46%	0.462	C	S	.	.	H	α-helix	trans	-62.9	-42.1	175.9	-75.7	0	0	0	0	111.7	D26 N27 P28 Q33 E34 C35 R56 S60	D26-T31 PolarHBondContact OD1-OG1 3.13Å; D26-T31 VanDerWaalsContact OD1-OG1 3.1Å; N27-T31 PolarHBondContact O-N 2.91Å; N27-T31 VanDerWaalsContact O-N 3.1Å; P28-T31 PolarHBondContact O-N 3.48Å; T31-Q33 PolarHBondContact O-N 3.37Å; T31-E34 PolarHBondContact O-N 3.44Å; T31-C35 PolarHBondContact O-N 2.91Å; T31-C35 PolarHBondContact O-SG 3.02Å; T31-R56 HydrophobicContact CG2-CG 3.65Å; T31-R56 VanDerWaalsContact CG2-NE 3.32Å; T31-R56 PolarHBondContact OG1-NH2 2.98Å; T31-S60 WeakPolarHBondContact CG2-OG 3.35Å
32	I	89.6	Confident	78.6	Confident	36 Å²	36	86.6 Å²	86.6	19%	0.185	44%	0.442	C	S	.	.	H	α-helix	trans	-56.3	-51	172.4	-75.1	170.5	0	0	0	110.4	P28 K30 E34 C35 L36 Y57 S60	P28-I32 WeakPolarHBondContact O-CB 3.26Å; P28-I32 VanDerWaalsContact O-CG1 3.26Å; P28-I32 WeakPolarHBondContact O-CG1 3.44Å; P28-I32 PolarHBondContact O-N 3.22Å; K30-I32 PolarHBondContact O-N 3.42Å; I32-E34 PolarHBondContact O-N 3.45Å; I32-C35 WeakPolarHBondContact O-CB 3.42Å; I32-C35 PolarHBondContact O-N 3.43Å; I32-C35 VanDerWaalsContact O-N 3.12Å; I32-L36 HydrophobicContact CG2-CD1 3.79Å; I32-L36 HydrophobicContact CG2-CG 4.24Å; I32-L36 WeakPolarHBondContact O-CG 3.4Å; I32-L36 PolarHBondContact O-N 3.44Å; I32-Y57 HydrophobicContact CG2-CD2 4.5Å; I32-Y57 HydrophobicContact CG2-CE2 3.99Å; I32-S60 WeakPolarHBondContact CD1-O 3.34Å
33	Q	90.4	Very high	81.4	Confident	98 Å²	98	80 Å²	80	46%	0.458	41%	0.412	S	S	.	.	H	α-helix	trans	-59.8	-43.6	-179	-173.8	61.4	32.9	0	0	112.2	Q29 K30 T31 C35 L36 E37	Q29-Q33 WeakPolarHBondContact O-CB 3.13Å; Q29-Q33 PolarHBondContact O-N 3.06Å; K30-Q33 PolarHBondContact O-N 3.02Å; T31-Q33 PolarHBondContact O-N 3.37Å; Q33-C35 VanDerWaalsContact C-N 3.33Å; Q33-C35 PolarHBondContact O-N 3.12Å; Q33-L36 PolarHBondContact O-N 3.41Å; Q33-E37 PolarHBondContact NE2-OE1 3.41Å; Q33-E37 WeakPolarHBondContact O-CG 3.47Å; Q33-E37 PolarHBondContact O-N 2.79Å
34	E	91.6	Very high	84.1	Confident	64 Å²	64	74.1 Å²	74.1	30%	0.299	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-37.9	175.3	-73.5	174.4	-170.1	0	0	112.6	K30 T31 I32 K38 R56	K30-E34 WeakPolarHBondContact CE-OE1 3.3Å; K30-E34 WeakPolarHBondContact O-CG 3.38Å; K30-E34 PolarHBondContact O-N 3.43Å; T31-E34 PolarHBondContact O-N 3.44Å; I32-E34 PolarHBondContact O-N 3.45Å; E34-K38 WeakPolarHBondContact O-CG 3.36Å; E34-K38 PolarHBondContact O-N 2.93Å; E34-R56 IonicContact OE2-CZ 2.7Å; E34-R56 IonicContact OE2-NH1 2.81Å; E34-R56 PolarHBondContact OE2-NH1 3.46Å; E34-R56 IonicContact OE2-NH2 3.25Å; E34-R56 PolarHBondContact OE2-NH2 3.22Å
35	C	91.8	Very high	86.6	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-65.7	-46.6	174.1	-60	0	0	0	0	110.7	T31 I32 Q33 E37 K38 F39 Q53 Y57	T31-C35 PolarHBondContact O-N 2.91Å; T31-C35 PolarHBondContact O-SG 3.02Å; I32-C35 WeakPolarHBondContact O-CB 3.42Å; I32-C35 PolarHBondContact O-N 3.43Å; I32-C35 VanDerWaalsContact O-N 3.12Å; Q33-C35 VanDerWaalsContact C-N 3.33Å; Q33-C35 PolarHBondContact O-N 3.12Å; C35-E37 VanDerWaalsContact C-N 3.35Å; C35-E37 PolarHBondContact O-N 2.97Å; C35-K38 WeakPolarHBondContact O-CB 3.08Å; C35-K38 PolarHBondContact O-N 3.07Å; C35-K38 VanDerWaalsContact O-N 3.15Å; C35-F39 HydrophobicContact CB-CD2 4.31Å; C35-F39 HydrophobicContact CB-CE2 3.69Å; C35-F39 HydrophobicContact CB-CZ 4.02Å; C35-F39 VanDerWaalsContact O-CD2 3.23Å; C35-F39 WeakPolarHBondContact O-CD2 3.48Å; C35-F39 WeakPolarHBondContact O-CG 3.39Å; C35-F39 PolarHBondContact O-N 2.91Å; C35-Q53 HydrophobicContact CB-CG 4.46Å; C35-Q53 PolarHBondContact SG-NE2 2.97Å; C35-Y57 HydrophobicContact CB-CD2 3.66Å; C35-Y57 HydrophobicContact CB-CG 4.21Å
36	L	92.2	Very high	88.6	Confident	17 Å²	17	66.9 Å²	66.9	9%	0.089	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-42.3	-177.8	-70.4	174.7	0	0	0	111.4	I32 Q33 K38 F39 L40 Y57 E66 M70	I32-L36 HydrophobicContact CG2-CD1 3.79Å; I32-L36 HydrophobicContact CG2-CG 4.24Å; I32-L36 WeakPolarHBondContact O-CG 3.4Å; I32-L36 PolarHBondContact O-N 3.44Å; Q33-L36 PolarHBondContact O-N 3.41Å; L36-K38 PolarHBondContact O-N 3.39Å; L36-F39 HydrophobicContact CD2-CD2 4.4Å; L36-F39 PolarHBondContact O-N 3.4Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 3.46Å; L36-Y57 HydrophobicContact CD2-CE2 3.7Å; L36-Y57 HydrophobicContact CG-CE2 3.98Å; L36-E66 HydrophobicContact CD2-CG 4.29Å; L36-M70 HydrophobicContact CB-CE 3.81Å; L36-M70 HydrophobicContact CD2-CE 3.41Å; L36-M70 VanDerWaalsContact CD2-CE 3.41Å; L36-M70 HydrophobicContact CD2-SD 4.29Å; L36-M70 HydrophobicContact CG-CE 4.21Å; L36-M70 WeakPolarHBondContact O-CE 3.34Å
37	E	92.4	Very high	90.3	Very high	112 Å²	112	66 Å²	66	52%	0.523	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-36.7	175.2	-76	175.2	-170.1	0	0	112.8	Q33 C35	Q33-E37 PolarHBondContact NE2-OE1 3.41Å; Q33-E37 WeakPolarHBondContact O-CG 3.47Å; Q33-E37 PolarHBondContact O-N 2.79Å; C35-E37 VanDerWaalsContact C-N 3.35Å; C35-E37 PolarHBondContact O-N 2.97Å
38	K	92	Very high	90.8	Very high	84 Å²	84	68.1 Å²	68.1	37%	0.365	35%	0.349	S	S	.	.	H	α-helix	trans	-71.4	-45.7	174.5	-67.9	-178.1	-175.3	-174.5	0	112	E34 C35 L36 L40 T41 Y44 Q53	E34-K38 WeakPolarHBondContact O-CG 3.36Å; E34-K38 PolarHBondContact O-N 2.93Å; C35-K38 WeakPolarHBondContact O-CB 3.08Å; C35-K38 PolarHBondContact O-N 3.07Å; C35-K38 VanDerWaalsContact O-N 3.15Å; L36-K38 PolarHBondContact O-N 3.39Å; K38-L40 PolarHBondContact O-N 3.27Å; K38-T41 WeakPolarHBondContact O-CB 3.36Å; K38-T41 PolarHBondContact O-N 3.3Å; K38-T41 PolarHBondContact O-OG1 2.95Å; K38-Y44 HydrophobicContact CB-CD2 4.43Å; K38-Y44 HydrophobicContact CB-CE1 4.07Å; K38-Y44 HydrophobicContact CB-CE2 3.89Å; K38-Y44 WeakPolarHBondContact O-CD2 3.31Å; K38-Y44 VanDerWaalsContact O-CG 3.23Å; K38-Q53 HydrophobicContact CD-CG 4.15Å
39	F	93.6	Very high	91.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-22.5	179	-60.5	-28.9	0	0	0	113.1	C35 L36 T41 Y44 I50 Q53 L54 Y57 V67 M70 L71	C35-F39 HydrophobicContact CB-CD2 4.31Å; C35-F39 HydrophobicContact CB-CE2 3.69Å; C35-F39 HydrophobicContact CB-CZ 4.02Å; C35-F39 VanDerWaalsContact O-CD2 3.23Å; C35-F39 WeakPolarHBondContact O-CD2 3.48Å; C35-F39 WeakPolarHBondContact O-CG 3.39Å; C35-F39 PolarHBondContact O-N 2.91Å; L36-F39 HydrophobicContact CD2-CD2 4.4Å; L36-F39 PolarHBondContact O-N 3.4Å; F39-T41 VanDerWaalsContact C-N 3.25Å; F39-T41 PolarHBondContact O-N 3.08Å; F39-Y44 AromaticContact CD1-CD1 3.6Å; F39-Y44 HydrophobicContact CD1-CD1 3.6Å; F39-Y44 AromaticContact CD1-CE1 3.57Å; F39-Y44 HydrophobicContact CD1-CE1 3.57Å; F39-Y44 HydrophobicContact CE1-CD1 4.26Å; F39-Y44 AromaticContact CE1-CE1 3.83Å; F39-Y44 HydrophobicContact CE1-CE1 3.83Å; F39-I50 HydrophobicContact CD1-CD1 4.18Å; F39-I50 HydrophobicContact CE1-CD1 3.98Å; F39-Q53 HydrophobicContact CE1-CB 4.01Å; F39-Q53 HydrophobicContact CE1-CG 3.65Å; F39-Q53 HydrophobicContact CZ-CB 4.36Å; F39-Q53 HydrophobicContact CZ-CG 3.87Å; F39-L54 HydrophobicContact CE1-CD2 4.25Å; F39-L54 HydrophobicContact CE1-CG 4.48Å; F39-L54 HydrophobicContact CZ-CD2 3.93Å; F39-L54 HydrophobicContact CZ-CG 4.41Å; F39-Y57 HydrophobicContact CE2-CD1 4.17Å; F39-Y57 AromaticContact CE2-CD2 3.9Å; F39-Y57 HydrophobicContact CE2-CD2 3.9Å; F39-Y57 HydrophobicContact CE2-CE2 4.41Å; F39-Y57 AromaticContact CE2-CG 3.74Å; F39-Y57 HydrophobicContact CE2-CG 3.74Å; F39-Y57 HydrophobicContact CZ-CG 4.33Å; F39-V67 HydrophobicContact CD1-CG2 4.39Å; F39-V67 HydrophobicContact CD2-CB 4.26Å; F39-V67 HydrophobicContact CD2-CG2 3.4Å; F39-V67 VanDerWaalsContact CD2-CG2 3.4Å; F39-V67 HydrophobicContact CE1-CG2 4.43Å; F39-V67 HydrophobicContact CE2-CB 4.3Å; F39-V67 HydrophobicContact CE2-CG2 3.45Å; F39-V67 VanDerWaalsContact CE2-CG2 3.45Å; F39-V67 HydrophobicContact CG-CG2 3.91Å; F39-V67 HydrophobicContact CZ-CG2 4Å; F39-M70 HydrophobicContact CB-CE 3.31Å; F39-M70 HydrophobicContact CD2-CE 4.17Å; F39-M70 HydrophobicContact CG-CE 4.27Å; F39-L71 HydrophobicContact CB-CD2 3.98Å; F39-L71 HydrophobicContact CB-CG 4.44Å; F39-L71 HydrophobicContact CD1-CD2 3.98Å; F39-L71 HydrophobicContact CG-CD2 4.22Å
40	L	93.2	Very high	91.6	Very high	89 Å²	89	59.9 Å²	59.9	47%	0.466	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.3	171.1	-77.9	169.8	0	0	0	113.6	L36 K38 M70 N74	L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 3.46Å; K38-L40 PolarHBondContact O-N 3.27Å; L40-M70 HydrophobicContact CD1-SD 4.43Å; L40-M70 HydrophobicContact CD2-CE 4.42Å; L40-M70 HydrophobicContact CD2-CG 3.67Å; L40-M70 HydrophobicContact CD2-SD 3.45Å; L40-M70 WeakPolarHBondContact CD2-SD 3.21Å; L40-M70 HydrophobicContact CG-CE 3.95Å; L40-M70 HydrophobicContact CG-CG 4.12Å; L40-M70 HydrophobicContact CG-SD 3.58Å; L40-M70 VanDerWaalsContact CG-SD 3.58Å; L40-N74 PolarHBondContact O-OD1 3.03Å
41	T	92.6	Very high	91.8	Very high	61 Å²	61	61.4 Å²	61.4	37%	0.374	32%	0.32	S	S	.	.	S	Bend	trans	-71.7	140.4	179.7	63.4	0	0	0	0	110.7	K38 F39 D43 Y44	K38-T41 WeakPolarHBondContact O-CB 3.36Å; K38-T41 PolarHBondContact O-N 3.3Å; K38-T41 PolarHBondContact O-OG1 2.95Å; F39-T41 VanDerWaalsContact C-N 3.25Å; F39-T41 PolarHBondContact O-N 3.08Å; T41-D43 PolarHBondContact O-N 3.48Å; T41-Y44 WeakPolarHBondContact O-CB 3.45Å; T41-Y44 PolarHBondContact O-N 3.43Å; T41-Y44 WeakPolarHBondContact OG1-CB 3.06Å; T41-Y44 WeakPolarHBondContact OG1-CD2 3.31Å
42	P	93.7	Very high	92.1	Very high	73 Å²	73	66.5 Å²	66.5	47%	0.474	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	137.1	-178.9	-24.9	34.3	0	0	0	112.3	Y44 N74 K76	P42-Y44 PolarHBondContact O-N 3.44Å; P42-Y44 VanDerWaalsContact O-N 3.14Å; P42-N74 WeakPolarHBondContact CA-O 3.47Å; P42-K76 HydrophobicContact CB-CD 4.03Å; P42-K76 HydrophobicContact CB-CG 4.49Å
43	D	93.5	Very high	92.2	Very high	22 Å²	22	65.4 Å²	65.4	12%	0.118	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	17.5	179.3	-68.4	-33.1	0	0	0	115.6	T41 I45 M46 N74 Y75 K76 A77 V78	T41-D43 PolarHBondContact O-N 3.48Å; D43-I45 PolarHBondContact O-N 3.32Å; D43-M46 WeakPolarHBondContact O-CB 3.24Å; D43-M46 PolarHBondContact O-N 2.75Å; D43-N74 PolarHBondContact N-O 2.86Å; D43-Y75 WeakPolarHBondContact OD1-CD2 3.3Å; D43-K76 WeakPolarHBondContact OD1-CA 3.39Å; D43-K76 PolarHBondContact OD1-N 3.23Å; D43-A77 PolarHBondContact OD1-N 3.41Å; D43-A77 PolarHBondContact OD2-N 2.96Å; D43-V78 WeakPolarHBondContact OD2-CB 3.37Å; D43-V78 VanDerWaalsContact OD2-CG2 3.26Å; D43-V78 WeakPolarHBondContact OD2-CG2 3.38Å; D43-V78 PolarHBondContact OD2-N 3.39Å
44	Y	94	Very high	92.4	Very high	28 Å²	28	62.3 Å²	62.3	11%	0.11	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-56.7	-24.3	-179.4	-166.1	-100.8	0	0	0	114.2	K38 F39 T41 P42 M46 E47 I50 Q53 L71	K38-Y44 HydrophobicContact CB-CD2 4.43Å; K38-Y44 HydrophobicContact CB-CE1 4.07Å; K38-Y44 HydrophobicContact CB-CE2 3.89Å; K38-Y44 WeakPolarHBondContact O-CD2 3.31Å; K38-Y44 VanDerWaalsContact O-CG 3.23Å; F39-Y44 AromaticContact CD1-CD1 3.6Å; F39-Y44 HydrophobicContact CD1-CD1 3.6Å; F39-Y44 AromaticContact CD1-CE1 3.57Å; F39-Y44 HydrophobicContact CD1-CE1 3.57Å; F39-Y44 HydrophobicContact CE1-CD1 4.26Å; F39-Y44 AromaticContact CE1-CE1 3.83Å; F39-Y44 HydrophobicContact CE1-CE1 3.83Å; T41-Y44 WeakPolarHBondContact O-CB 3.45Å; T41-Y44 PolarHBondContact O-N 3.43Å; T41-Y44 WeakPolarHBondContact OG1-CB 3.06Å; T41-Y44 WeakPolarHBondContact OG1-CD2 3.31Å; P42-Y44 PolarHBondContact O-N 3.44Å; P42-Y44 VanDerWaalsContact O-N 3.14Å; Y44-M46 PolarHBondContact O-N 3.42Å; Y44-M46 VanDerWaalsContact O-N 3.13Å; Y44-E47 HydrophobicContact CD2-CB 4.21Å; Y44-E47 HydrophobicContact CD2-CG 3.68Å; Y44-E47 HydrophobicContact CE2-CB 4.18Å; Y44-E47 HydrophobicContact CE2-CG 3.97Å; Y44-E47 HydrophobicContact CG-CG 4.3Å; Y44-E47 WeakPolarHBondContact O-CB 3.39Å; Y44-E47 PolarHBondContact O-N 2.85Å; Y44-I50 HydrophobicContact CD1-CD1 3.64Å; Y44-I50 HydrophobicContact CE1-CD1 3.71Å; Y44-Q53 HydrophobicContact CE1-CG 4.46Å; Y44-L71 HydrophobicContact CD1-CD2 4.13Å
45	I	93.6	Very high	92.5	Very high	74 Å²	74	64.7 Å²	64.7	38%	0.379	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-57.5	-23.3	173.1	-164.8	168.4	0	0	0	113.1	D43 L71 Y75	D43-I45 PolarHBondContact O-N 3.32Å; I45-L71 HydrophobicContact CB-CD2 4.4Å; I45-L71 HydrophobicContact CD1-CB 4.48Å; I45-Y75 HydrophobicContact CG2-CD2 3.52Å; I45-Y75 HydrophobicContact CG2-CE2 4.11Å; I45-Y75 HydrophobicContact CG2-CG 4.25Å
46	M	90.7	Very high	92.5	Very high	101 Å²	101	68.3 Å²	68.3	50%	0.498	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-91	-5.3	179.4	-58.2	-61.5	-62.3	0	0	113.3	D43 Y44 Y75	D43-M46 WeakPolarHBondContact O-CB 3.24Å; D43-M46 PolarHBondContact O-N 2.75Å; Y44-M46 PolarHBondContact O-N 3.42Å; Y44-M46 VanDerWaalsContact O-N 3.13Å; M46-Y75 HydrophobicContact CG-CE2 4.13Å; M46-Y75 HydrophobicContact SD-CE2 4.18Å
47	E	90.6	Very high	92.6	Very high	100 Å²	100	67.5 Å²	67.5	47%	0.467	35%	0.351	S	S	.	.	S	Bend	trans	-73.7	137.6	-177.9	-71.7	-67	152	0	0	111.7	Y44 G49 I50	Y44-E47 HydrophobicContact CD2-CB 4.21Å; Y44-E47 HydrophobicContact CD2-CG 3.68Å; Y44-E47 HydrophobicContact CE2-CB 4.18Å; Y44-E47 HydrophobicContact CE2-CG 3.97Å; Y44-E47 HydrophobicContact CG-CG 4.3Å; Y44-E47 WeakPolarHBondContact O-CB 3.39Å; Y44-E47 PolarHBondContact O-N 2.85Å; E47-G49 PolarHBondContact O-N 3.01Å; E47-I50 WeakPolarHBondContact O-CB 3.38Å; E47-I50 VanDerWaalsContact O-CG2 3.22Å; E47-I50 WeakPolarHBondContact O-CG2 3.29Å; E47-I50 PolarHBondContact O-N 3.48Å
48	P	87.8	Confident	92.7	Very high	123 Å²	123	66.3 Å²	66.3	80%	0.799	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.1	-178.1	-26.1	33.4	0	0	0	114.4	I50	P48-I50 VanDerWaalsContact C-N 3.32Å; P48-I50 PolarHBondContact O-N 2.95Å
49	G	90.3	Very high	92.7	Very high	34 Å²	34	69 Å²	69	35%	0.351	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0	-179.2	0	0	0	0	0	115.4	E47 F51 T52 Q53	E47-G49 PolarHBondContact O-N 3.01Å; G49-F51 VanDerWaalsContact C-N 3.34Å; G49-F51 PolarHBondContact O-N 3.18Å; G49-T52 PolarHBondContact O-N 3.39Å; G49-Q53 PolarHBondContact O-N 3.29Å
50	I	93.5	Very high	92.6	Very high	11 Å²	11	70.4 Å²	70.4	6%	0.056	37%	0.367	C	S	.	.	H	α-helix	trans	-54.8	-46.1	-172.2	-175.5	58.5	0	0	0	112.6	F39 Y44 E47 P48 T52 Q53 L54 L71	F39-I50 HydrophobicContact CD1-CD1 4.18Å; F39-I50 HydrophobicContact CE1-CD1 3.98Å; Y44-I50 HydrophobicContact CD1-CD1 3.64Å; Y44-I50 HydrophobicContact CE1-CD1 3.71Å; E47-I50 WeakPolarHBondContact O-CB 3.38Å; E47-I50 VanDerWaalsContact O-CG2 3.22Å; E47-I50 WeakPolarHBondContact O-CG2 3.29Å; E47-I50 PolarHBondContact O-N 3.48Å; P48-I50 VanDerWaalsContact C-N 3.32Å; P48-I50 PolarHBondContact O-N 2.95Å; I50-T52 PolarHBondContact O-N 3.22Å; I50-Q53 PolarHBondContact O-N 2.91Å; I50-L54 HydrophobicContact CD1-CD1 4.27Å; I50-L54 HydrophobicContact CD1-CG 4.14Å; I50-L54 HydrophobicContact CG1-CD1 3.95Å; I50-L54 HydrophobicContact CG1-CG 4.29Å; I50-L54 WeakPolarHBondContact O-CB 3.21Å; I50-L54 VanDerWaalsContact O-CG 3.29Å; I50-L54 WeakPolarHBondContact O-CG 3.47Å; I50-L54 PolarHBondContact O-N 3.15Å; I50-L71 HydrophobicContact CD1-CD1 4.03Å; I50-L71 HydrophobicContact CD1-CD2 4.07Å
51	F	93.7	Very high	92.5	Very high	162 Å²	162	69.1 Å²	69.1	71%	0.711	38%	0.376	S	S	*	.	H	α-helix	trans	-66.2	-40.3	-178.3	-65.9	-70	0	0	0	112.6	G49 Q53 L54 K55	G49-F51 VanDerWaalsContact C-N 3.34Å; G49-F51 PolarHBondContact O-N 3.18Å; F51-Q53 VanDerWaalsContact C-N 3.32Å; F51-Q53 PolarHBondContact O-N 3.47Å; F51-L54 PolarHBondContact O-N 2.83Å; F51-K55 WeakPolarHBondContact O-CB 3.44Å; F51-K55 PolarHBondContact O-N 3.46Å
52	T	93.4	Very high	92.4	Very high	107 Å²	107	66.7 Å²	66.7	66%	0.656	36%	0.363	S	S	*	.	H	α-helix	trans	-63.3	-41.9	175.9	-54.1	0	0	0	0	110.7	G49 I50 K55 R56	G49-T52 PolarHBondContact O-N 3.39Å; I50-T52 PolarHBondContact O-N 3.22Å; T52-K55 PolarHBondContact O-N 3.5Å; T52-R56 PolarHBondContact O-N 3.26Å; T52-R56 VanDerWaalsContact O-N 3.08Å
53	Q	92.5	Very high	92.4	Very high	14 Å²	14	65.6 Å²	65.6	7%	0.065	36%	0.357	C	S	.	.	H	α-helix	trans	-71	-39.6	179.3	-163.4	66.3	48.9	0	0	112.2	C35 K38 F39 Y44 G49 I50 F51 K55 R56 Y57	C35-Q53 HydrophobicContact CB-CG 4.46Å; C35-Q53 PolarHBondContact SG-NE2 2.97Å; K38-Q53 HydrophobicContact CD-CG 4.15Å; F39-Q53 HydrophobicContact CE1-CB 4.01Å; F39-Q53 HydrophobicContact CE1-CG 3.65Å; F39-Q53 HydrophobicContact CZ-CB 4.36Å; F39-Q53 HydrophobicContact CZ-CG 3.87Å; Y44-Q53 HydrophobicContact CE1-CG 4.46Å; G49-Q53 PolarHBondContact O-N 3.29Å; I50-Q53 PolarHBondContact O-N 2.91Å; F51-Q53 VanDerWaalsContact C-N 3.32Å; F51-Q53 PolarHBondContact O-N 3.47Å; Q53-K55 VanDerWaalsContact C-N 3.34Å; Q53-K55 PolarHBondContact O-N 3.07Å; Q53-R56 PolarHBondContact O-N 3Å; Q53-Y57 WeakPolarHBondContact O-CB 3.2Å; Q53-Y57 PolarHBondContact O-N 3.47Å
54	L	94.2	Very high	92.3	Very high	32 Å²	32	67.9 Å²	67.9	17%	0.168	37%	0.373	C	S	.	.	H	α-helix	trans	-60	-44	172.9	-76.4	172.7	0	0	0	111.4	F39 I50 F51 R56 Y57 F58 V67 L71	F39-L54 HydrophobicContact CE1-CD2 4.25Å; F39-L54 HydrophobicContact CE1-CG 4.48Å; F39-L54 HydrophobicContact CZ-CD2 3.93Å; F39-L54 HydrophobicContact CZ-CG 4.41Å; I50-L54 HydrophobicContact CD1-CD1 4.27Å; I50-L54 HydrophobicContact CD1-CG 4.14Å; I50-L54 HydrophobicContact CG1-CD1 3.95Å; I50-L54 HydrophobicContact CG1-CG 4.29Å; I50-L54 WeakPolarHBondContact O-CB 3.21Å; I50-L54 VanDerWaalsContact O-CG 3.29Å; I50-L54 WeakPolarHBondContact O-CG 3.47Å; I50-L54 PolarHBondContact O-N 3.15Å; F51-L54 PolarHBondContact O-N 2.83Å; L54-R56 PolarHBondContact O-N 3.49Å; L54-Y57 WeakPolarHBondContact O-CB 3.29Å; L54-Y57 PolarHBondContact O-N 2.97Å; L54-F58 HydrophobicContact CB-CE2 4.18Å; L54-F58 HydrophobicContact CD2-CE2 4.3Å; L54-F58 HydrophobicContact CD2-CZ 4.4Å; L54-F58 WeakPolarHBondContact O-CD2 3.43Å; L54-F58 WeakPolarHBondContact O-CG 3.42Å; L54-F58 PolarHBondContact O-N 3.46Å; L54-V67 HydrophobicContact CD2-CG1 4.25Å; L54-V67 HydrophobicContact CD2-CG2 3.58Å; L54-L71 HydrophobicContact CD2-CD1 4.3Å
55	K	93.3	Very high	92.2	Very high	114 Å²	114	74.3 Å²	74.3	50%	0.496	40%	0.404	S	S	.	.	H	α-helix	trans	-60.5	-45.9	176	-169.5	176.2	-177	175.6	0	111.4	F51 T52 Q53 Y57 F58 Q59	F51-K55 WeakPolarHBondContact O-CB 3.44Å; F51-K55 PolarHBondContact O-N 3.46Å; T52-K55 PolarHBondContact O-N 3.5Å; Q53-K55 VanDerWaalsContact C-N 3.34Å; Q53-K55 PolarHBondContact O-N 3.07Å; K55-Y57 VanDerWaalsContact C-N 3.33Å; K55-Y57 PolarHBondContact O-N 3.46Å; K55-F58 PolarHBondContact O-N 2.81Å; K55-Q59 WeakPolarHBondContact O-CB 3.47Å; K55-Q59 WeakPolarHBondContact O-CG 3.23Å; K55-Q59 PolarHBondContact O-N 3.48Å
56	R	92.5	Very high	92.2	Very high	76 Å²	76	75.3 Å²	75.3	29%	0.287	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-40.6	176.2	-175.4	175.9	177.2	-145.3	-14	112.1	T31 E34 T52 Q53 L54 S60	T31-R56 HydrophobicContact CG2-CG 3.65Å; T31-R56 VanDerWaalsContact CG2-NE 3.32Å; T31-R56 PolarHBondContact OG1-NH2 2.98Å; E34-R56 IonicContact OE2-CZ 2.7Å; E34-R56 IonicContact OE2-NH1 2.81Å; E34-R56 PolarHBondContact OE2-NH1 3.46Å; E34-R56 IonicContact OE2-NH2 3.25Å; E34-R56 PolarHBondContact OE2-NH2 3.22Å; T52-R56 PolarHBondContact O-N 3.26Å; T52-R56 VanDerWaalsContact O-N 3.08Å; Q53-R56 PolarHBondContact O-N 3Å; L54-R56 PolarHBondContact O-N 3.49Å; R56-S60 PolarHBondContact O-N 3.15Å; R56-S60 PolarHBondContact O-OG 3.28Å
57	Y	93.4	Very high	92.3	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-63.7	-49.7	177.4	176.9	-106.7	0	0	0	112.2	I32 C35 L36 F39 Q53 L54 K55 Q59 S60 G61 G62 S63 E66 V67	I32-Y57 HydrophobicContact CG2-CD2 4.5Å; I32-Y57 HydrophobicContact CG2-CE2 3.99Å; C35-Y57 HydrophobicContact CB-CD2 3.66Å; C35-Y57 HydrophobicContact CB-CG 4.21Å; L36-Y57 HydrophobicContact CD2-CE2 3.7Å; L36-Y57 HydrophobicContact CG-CE2 3.98Å; F39-Y57 HydrophobicContact CE2-CD1 4.17Å; F39-Y57 AromaticContact CE2-CD2 3.9Å; F39-Y57 HydrophobicContact CE2-CD2 3.9Å; F39-Y57 HydrophobicContact CE2-CE2 4.41Å; F39-Y57 AromaticContact CE2-CG 3.74Å; F39-Y57 HydrophobicContact CE2-CG 3.74Å; F39-Y57 HydrophobicContact CZ-CG 4.33Å; Q53-Y57 WeakPolarHBondContact O-CB 3.2Å; Q53-Y57 PolarHBondContact O-N 3.47Å; L54-Y57 WeakPolarHBondContact O-CB 3.29Å; L54-Y57 PolarHBondContact O-N 2.97Å; K55-Y57 VanDerWaalsContact C-N 3.33Å; K55-Y57 PolarHBondContact O-N 3.46Å; Y57-Q59 PolarHBondContact O-N 3.23Å; Y57-S60 PolarHBondContact O-N 3.43Å; Y57-G61 PolarHBondContact O-N 3.02Å; Y57-G62 VanDerWaalsContact CE1-C 3.46Å; Y57-G62 PolarHBondContact O-N 2.94Å; Y57-S63 VanDerWaalsContact CE1-O 3.3Å; Y57-S63 WeakPolarHBondContact CE1-O 3.21Å; Y57-S63 PolarHBondContact OH-N 3.11Å; Y57-S63 PolarHBondContact OH-O 3.44Å; Y57-E66 PolarHBondContact OH-OE2 3.13Å; Y57-V67 HydrophobicContact CD1-CB 4.29Å; Y57-V67 HydrophobicContact CD1-CG1 4.25Å; Y57-V67 HydrophobicContact CE1-CB 3.76Å; Y57-V67 HydrophobicContact CE1-CG1 3.8Å
58	F	94.3	Very high	92.4	Very high	87 Å²	87	71 Å²	71	38%	0.382	39%	0.388	S	S	.	.	H	α-helix	trans	-66.8	-37.1	178.9	-65.4	-46.5	0	0	0	112.9	L54 K55 S60 G61 P64 V67	L54-F58 HydrophobicContact CB-CE2 4.18Å; L54-F58 HydrophobicContact CD2-CE2 4.3Å; L54-F58 HydrophobicContact CD2-CZ 4.4Å; L54-F58 WeakPolarHBondContact O-CD2 3.43Å; L54-F58 WeakPolarHBondContact O-CG 3.42Å; L54-F58 PolarHBondContact O-N 3.46Å; K55-F58 PolarHBondContact O-N 2.81Å; F58-S60 PolarHBondContact O-N 3.43Å; F58-G61 PolarHBondContact O-N 3.49Å; F58-G61 VanDerWaalsContact O-N 3.13Å; F58-P64 HydrophobicContact CD1-CG 4.37Å; F58-P64 HydrophobicContact CE1-CB 4.03Å; F58-P64 HydrophobicContact CE1-CG 3.8Å; F58-P64 HydrophobicContact CZ-CB 4.45Å; F58-V67 HydrophobicContact CE1-CG1 4.09Å; F58-V67 HydrophobicContact CZ-CG1 3.96Å
59	Q	92.3	Very high	92.6	Very high	141 Å²	141	67.8 Å²	67.8	66%	0.659	37%	0.369	S	S	*	.	H	α-helix	trans	-63	-26.8	175.1	-76	175.3	-20.9	0	0	113.1	K55 Y57	K55-Q59 WeakPolarHBondContact O-CB 3.47Å; K55-Q59 WeakPolarHBondContact O-CG 3.23Å; K55-Q59 PolarHBondContact O-N 3.48Å; Y57-Q59 PolarHBondContact O-N 3.23Å
60	S	92	Very high	92.7	Very high	29 Å²	29	67.3 Å²	67.3	20%	0.203	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1	178.4	-54	0	0	0	0	113.4	T31 I32 R56 Y57 F58	T31-S60 WeakPolarHBondContact CG2-OG 3.35Å; I32-S60 WeakPolarHBondContact CD1-O 3.34Å; R56-S60 PolarHBondContact O-N 3.15Å; R56-S60 PolarHBondContact O-OG 3.28Å; Y57-S60 PolarHBondContact O-N 3.43Å; F58-S60 PolarHBondContact O-N 3.43Å
61	G	91.2	Very high	92.7	Very high	62 Å²	62	67.6 Å²	67.6	64%	0.639	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	17.3	179.5	0	0	0	0	0	115.2	Y57 F58	Y57-G61 PolarHBondContact O-N 3.02Å; F58-G61 PolarHBondContact O-N 3.49Å; F58-G61 VanDerWaalsContact O-N 3.13Å
62	G	90.6	Very high	92.7	Very high	10 Å²	10	63.5 Å²	63.5	10%	0.103	35%	0.351	C	S	.	.			trans	-65.6	146.1	177.6	0	0	0	0	0	113.9	Y57	Y57-G62 VanDerWaalsContact CE1-C 3.46Å; Y57-G62 PolarHBondContact O-N 2.94Å
63	S	92.2	Very high	92.8	Very high	50 Å²	50	65.2 Å²	65.2	35%	0.35	35%	0.351	S	S	.	.			trans	-78.5	127.4	180	178.1	0	0	0	0	112.2	Y57 E65 E66 V67	Y57-S63 VanDerWaalsContact CE1-O 3.3Å; Y57-S63 WeakPolarHBondContact CE1-O 3.21Å; Y57-S63 PolarHBondContact OH-N 3.11Å; Y57-S63 PolarHBondContact OH-O 3.44Å; S63-E65 VanDerWaalsContact C-N 3.35Å; S63-E65 PolarHBondContact O-N 3.01Å; S63-E66 PolarHBondContact O-N 2.69Å; S63-V67 PolarHBondContact O-N 3.05Å
64	P	91.2	Very high	92.9	Very high	71 Å²	71	66.3 Å²	66.3	46%	0.461	36%	0.358	S	S	.	.	H	α-helix	trans	-58.6	-39.4	173.8	-24.5	33.8	0	0	0	114.5	F58 E66 V67 I68	F58-P64 HydrophobicContact CD1-CG 4.37Å; F58-P64 HydrophobicContact CE1-CB 4.03Å; F58-P64 HydrophobicContact CE1-CG 3.8Å; F58-P64 HydrophobicContact CZ-CB 4.45Å; P64-E66 VanDerWaalsContact C-N 3.31Å; P64-E66 PolarHBondContact O-N 2.64Å; P64-V67 VanDerWaalsContact O-CG1 3.29Å; P64-V67 WeakPolarHBondContact O-CG1 3.39Å; P64-I68 WeakPolarHBondContact O-CB 3.13Å; P64-I68 WeakPolarHBondContact O-CD1 3.39Å; P64-I68 WeakPolarHBondContact O-CG1 3.38Å; P64-I68 PolarHBondContact O-N 3.02Å; P64-I68 VanDerWaalsContact O-N 3.07Å
65	E	93	Very high	92.9	Very high	162 Å²	162	69.2 Å²	69.2	76%	0.757	37%	0.367	S	S	*	.	H	α-helix	trans	-64	-40.5	-178.3	-65.5	179.9	175.1	0	0	111.3	S63 I68 S69	S63-E65 VanDerWaalsContact C-N 3.35Å; S63-E65 PolarHBondContact O-N 3.01Å; E65-I68 PolarHBondContact O-N 3.17Å; E65-S69 PolarHBondContact O-N 3.46Å
66	E	92.6	Very high	92.9	Very high	96 Å²	96	70.2 Å²	70.2	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-65.2	-48.1	-179.4	-174.3	173.4	-165	0	0	111.6	L36 Y57 S63 P64 I68 S69 M70	L36-E66 HydrophobicContact CD2-CG 4.29Å; Y57-E66 PolarHBondContact OH-OE2 3.13Å; S63-E66 PolarHBondContact O-N 2.69Å; P64-E66 VanDerWaalsContact C-N 3.31Å; P64-E66 PolarHBondContact O-N 2.64Å; E66-I68 PolarHBondContact O-N 2.98Å; E66-S69 PolarHBondContact O-N 3.18Å; E66-M70 VanDerWaalsContact O-CB 3.31Å; E66-M70 WeakPolarHBondContact O-CB 3.22Å; E66-M70 PolarHBondContact O-N 3.09Å
67	V	92.7	Very high	92.9	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.012	37%	0.367	C	S	.	.	H	α-helix	trans	-67.9	-35.4	179.3	65.3	0	0	0	0	112.5	F39 L54 Y57 F58 S63 P64 M70 L71	F39-V67 HydrophobicContact CD1-CG2 4.39Å; F39-V67 HydrophobicContact CD2-CB 4.26Å; F39-V67 HydrophobicContact CD2-CG2 3.4Å; F39-V67 VanDerWaalsContact CD2-CG2 3.4Å; F39-V67 HydrophobicContact CE1-CG2 4.43Å; F39-V67 HydrophobicContact CE2-CB 4.3Å; F39-V67 HydrophobicContact CE2-CG2 3.45Å; F39-V67 VanDerWaalsContact CE2-CG2 3.45Å; F39-V67 HydrophobicContact CG-CG2 3.91Å; F39-V67 HydrophobicContact CZ-CG2 4Å; L54-V67 HydrophobicContact CD2-CG1 4.25Å; L54-V67 HydrophobicContact CD2-CG2 3.58Å; Y57-V67 HydrophobicContact CD1-CB 4.29Å; Y57-V67 HydrophobicContact CD1-CG1 4.25Å; Y57-V67 HydrophobicContact CE1-CB 3.76Å; Y57-V67 HydrophobicContact CE1-CG1 3.8Å; F58-V67 HydrophobicContact CE1-CG1 4.09Å; F58-V67 HydrophobicContact CZ-CG1 3.96Å; S63-V67 PolarHBondContact O-N 3.05Å; P64-V67 VanDerWaalsContact O-CG1 3.29Å; P64-V67 WeakPolarHBondContact O-CG1 3.39Å; V67-M70 PolarHBondContact O-N 2.68Å; V67-L71 HydrophobicContact CG2-CD1 3.74Å; V67-L71 HydrophobicContact CG2-CG 4.05Å; V67-L71 WeakPolarHBondContact O-CB 3.5Å; V67-L71 VanDerWaalsContact O-CG 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.37Å; V67-L71 PolarHBondContact O-N 3.29Å
68	I	93	Very high	92.8	Very high	108 Å²	108	72.1 Å²	72.1	55%	0.554	39%	0.393	S	S	*	.	H	α-helix	trans	-64	-48.4	175.4	-70.2	167.2	0	0	0	110.3	P64 E65 E66 M70 S72	P64-I68 WeakPolarHBondContact O-CB 3.13Å; P64-I68 WeakPolarHBondContact O-CD1 3.39Å; P64-I68 WeakPolarHBondContact O-CG1 3.38Å; P64-I68 PolarHBondContact O-N 3.02Å; P64-I68 VanDerWaalsContact O-N 3.07Å; E65-I68 PolarHBondContact O-N 3.17Å; E66-I68 PolarHBondContact O-N 2.98Å; I68-M70 VanDerWaalsContact C-N 3.28Å; I68-M70 PolarHBondContact O-N 3.03Å; I68-S72 WeakPolarHBondContact O-CB 3.5Å; I68-S72 PolarHBondContact O-N 2.9Å; I68-S72 PolarHBondContact O-OG 2.68Å
69	S	92.8	Very high	92.5	Very high	56 Å²	56	70.5 Å²	70.5	39%	0.392	40%	0.397	S	S	.	.	H	α-helix	trans	-57.6	-47.3	177	-150.2	0	0	0	0	110	E65 E66 S72 E73	E65-S69 PolarHBondContact O-N 3.46Å; E66-S69 PolarHBondContact O-N 3.18Å; S69-S72 PolarHBondContact O-N 3.13Å; S69-E73 VanDerWaalsContact O-CB 3.3Å; S69-E73 WeakPolarHBondContact O-CB 3.39Å; S69-E73 VanDerWaalsContact O-CG 3.24Å; S69-E73 WeakPolarHBondContact O-CG 3.35Å; S69-E73 PolarHBondContact O-N 3.21Å; S69-E73 PolarHBondContact OG-OE1 2.94Å
70	M	92.5	Very high	92.5	Very high	24 Å²	24	67.1 Å²	67.1	12%	0.118	38%	0.38	C	S	.	.	H	α-helix	trans	-69.4	-42.5	-173.5	-156.1	156	78.2	0	0	113.6	L36 F39 L40 E66 V67 I68 S72 N74	L36-M70 HydrophobicContact CB-CE 3.81Å; L36-M70 HydrophobicContact CD2-CE 3.41Å; L36-M70 VanDerWaalsContact CD2-CE 3.41Å; L36-M70 HydrophobicContact CD2-SD 4.29Å; L36-M70 HydrophobicContact CG-CE 4.21Å; L36-M70 WeakPolarHBondContact O-CE 3.34Å; F39-M70 HydrophobicContact CB-CE 3.31Å; F39-M70 HydrophobicContact CD2-CE 4.17Å; F39-M70 HydrophobicContact CG-CE 4.27Å; L40-M70 HydrophobicContact CD1-SD 4.43Å; L40-M70 HydrophobicContact CD2-CE 4.42Å; L40-M70 HydrophobicContact CD2-CG 3.67Å; L40-M70 HydrophobicContact CD2-SD 3.45Å; L40-M70 WeakPolarHBondContact CD2-SD 3.21Å; L40-M70 HydrophobicContact CG-CE 3.95Å; L40-M70 HydrophobicContact CG-CG 4.12Å; L40-M70 HydrophobicContact CG-SD 3.58Å; L40-M70 VanDerWaalsContact CG-SD 3.58Å; E66-M70 VanDerWaalsContact O-CB 3.31Å; E66-M70 WeakPolarHBondContact O-CB 3.22Å; E66-M70 PolarHBondContact O-N 3.09Å; V67-M70 PolarHBondContact O-N 2.68Å; I68-M70 VanDerWaalsContact C-N 3.28Å; I68-M70 PolarHBondContact O-N 3.03Å; M70-S72 VanDerWaalsContact C-N 3.34Å; M70-N74 WeakPolarHBondContact O-CB 3.4Å; M70-N74 PolarHBondContact O-N 2.83Å; M70-N74 VanDerWaalsContact O-N 3.15Å; M70-N74 PolarHBondContact O-ND2 3.04Å
71	L	94.3	Very high	92.6	Very high	16 Å²	16	70.4 Å²	70.4	8%	0.084	39%	0.394	C	S	.	.	H	α-helix	trans	-66.9	-37.8	174.9	-70.2	173.8	0	0	0	111.6	F39 Y44 I45 I50 L54 V67 Y75	F39-L71 HydrophobicContact CB-CD2 3.98Å; F39-L71 HydrophobicContact CB-CG 4.44Å; F39-L71 HydrophobicContact CD1-CD2 3.98Å; F39-L71 HydrophobicContact CG-CD2 4.22Å; Y44-L71 HydrophobicContact CD1-CD2 4.13Å; I45-L71 HydrophobicContact CB-CD2 4.4Å; I45-L71 HydrophobicContact CD1-CB 4.48Å; I50-L71 HydrophobicContact CD1-CD1 4.03Å; I50-L71 HydrophobicContact CD1-CD2 4.07Å; L54-L71 HydrophobicContact CD2-CD1 4.3Å; V67-L71 HydrophobicContact CG2-CD1 3.74Å; V67-L71 HydrophobicContact CG2-CG 4.05Å; V67-L71 WeakPolarHBondContact O-CB 3.5Å; V67-L71 VanDerWaalsContact O-CG 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.37Å; V67-L71 PolarHBondContact O-N 3.29Å; L71-Y75 WeakPolarHBondContact O-CB 3.12Å; L71-Y75 PolarHBondContact O-N 3.11Å; L71-Y75 VanDerWaalsContact O-N 3.17Å
72	S	93.4	Very high	92.6	Very high	76 Å²	76	70.1 Å²	70.1	53%	0.531	39%	0.386	S	S	.	.	H	α-helix	trans	-70.1	-42.8	179.9	-56.7	0	0	0	0	112	I68 S69 M70 N74 Y75	I68-S72 WeakPolarHBondContact O-CB 3.5Å; I68-S72 PolarHBondContact O-N 2.9Å; I68-S72 PolarHBondContact O-OG 2.68Å; S69-S72 PolarHBondContact O-N 3.13Å; M70-S72 VanDerWaalsContact C-N 3.34Å; S72-N74 VanDerWaalsContact C-N 3.32Å; S72-N74 PolarHBondContact O-N 3.14Å; S72-Y75 PolarHBondContact O-N 3.35Å
73	E	94.7	Very high	92.6	Very high	143 Å²	143	74.7 Å²	74.7	67%	0.668	41%	0.408	S	S	*	.	H	α-helix	trans	-67.7	-30.9	178.3	-75	171.8	-149.9	0	0	112.6	S69	S69-E73 VanDerWaalsContact O-CB 3.3Å; S69-E73 WeakPolarHBondContact O-CB 3.39Å; S69-E73 VanDerWaalsContact O-CG 3.24Å; S69-E73 WeakPolarHBondContact O-CG 3.35Å; S69-E73 PolarHBondContact O-N 3.21Å; S69-E73 PolarHBondContact OG-OE1 2.94Å
74	N	94.1	Very high	92.8	Very high	38 Å²	38	75.2 Å²	75.2	20%	0.203	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	1.8	179.7	-68.5	-65.6	0	0	0	114.1	L40 P42 D43 M70 S72 K76	L40-N74 PolarHBondContact O-OD1 3.03Å; P42-N74 WeakPolarHBondContact CA-O 3.47Å; D43-N74 PolarHBondContact N-O 2.86Å; M70-N74 WeakPolarHBondContact O-CB 3.4Å; M70-N74 PolarHBondContact O-N 2.83Å; M70-N74 VanDerWaalsContact O-N 3.15Å; M70-N74 PolarHBondContact O-ND2 3.04Å; S72-N74 VanDerWaalsContact C-N 3.32Å; S72-N74 PolarHBondContact O-N 3.14Å; N74-K76 PolarHBondContact O-N 3Å
75	Y	94.5	Very high	92.9	Very high	92 Å²	92	76 Å²	76	36%	0.361	41%	0.406	S	S	.	.			trans	-78	111.5	173.3	-179.4	-116.2	0	0	0	110.9	D43 I45 M46 L71 S72 A77 Q80	D43-Y75 WeakPolarHBondContact OD1-CD2 3.3Å; I45-Y75 HydrophobicContact CG2-CD2 3.52Å; I45-Y75 HydrophobicContact CG2-CE2 4.11Å; I45-Y75 HydrophobicContact CG2-CG 4.25Å; M46-Y75 HydrophobicContact CG-CE2 4.13Å; M46-Y75 HydrophobicContact SD-CE2 4.18Å; L71-Y75 WeakPolarHBondContact O-CB 3.12Å; L71-Y75 PolarHBondContact O-N 3.11Å; L71-Y75 VanDerWaalsContact O-N 3.17Å; S72-Y75 PolarHBondContact O-N 3.35Å; Y75-A77 HydrophobicContact CD1-CB 4.4Å; Y75-A77 HydrophobicContact CE1-CB 3.68Å; Y75-A77 HydrophobicContact CE2-CB 4.04Å; Y75-A77 VanDerWaalsContact CZ-CB 3.48Å; Y75-A77 WeakPolarHBondContact OH-CB 3.19Å; Y75-Q80 PolarHBondContact OH-NE2 3.08Å; Y75-Q80 PolarHBondContact OH-OE1 3.41Å
76	K	93.5	Very high	92.9	Very high	136 Å²	136	69.4 Å²	69.4	59%	0.591	38%	0.379	S	S	*	.			trans	-102.9	-11.5	178.7	-62.3	-172.3	-176.7	176.6	0	113.1	P42 D43 N74 V78	P42-K76 HydrophobicContact CB-CD 4.03Å; P42-K76 HydrophobicContact CB-CG 4.49Å; D43-K76 WeakPolarHBondContact OD1-CA 3.39Å; D43-K76 PolarHBondContact OD1-N 3.23Å; N74-K76 PolarHBondContact O-N 3Å; K76-V78 HydrophobicContact CB-CG2 4.19Å; K76-V78 PolarHBondContact O-N 3.17Å
77	A	91.9	Very high	93	Very high	22 Å²	22	70.3 Å²	70.3	18%	0.182	38%	0.383	C	S	.	.			trans	60	37.9	177.1	0	0	0	0	0	114	D43 Y75 A79 Q80 M81	D43-A77 PolarHBondContact OD1-N 3.41Å; D43-A77 PolarHBondContact OD2-N 2.96Å; Y75-A77 HydrophobicContact CD1-CB 4.4Å; Y75-A77 HydrophobicContact CE1-CB 3.68Å; Y75-A77 HydrophobicContact CE2-CB 4.04Å; Y75-A77 VanDerWaalsContact CZ-CB 3.48Å; Y75-A77 WeakPolarHBondContact OH-CB 3.19Å; A77-A79 VanDerWaalsContact C-N 3.32Å; A77-A79 PolarHBondContact O-N 3.3Å; A77-Q80 VanDerWaalsContact CA-OE1 3.3Å; A77-Q80 HydrophobicContact CB-CB 4.24Å; A77-Q80 PolarHBondContact O-N 3.47Å; A77-Q80 PolarHBondContact O-OE1 3.39Å; A77-M81 PolarHBondContact O-N 2.99Å
78	V	92.3	Very high	93.2	Very high	93 Å²	93	76.8 Å²	76.8	56%	0.564	41%	0.408	S	S	*	.	H	α-helix	trans	-60.5	-41.3	-175.5	175.2	0	0	0	0	111.8	D43 K76 M81 A82	D43-V78 WeakPolarHBondContact OD2-CB 3.37Å; D43-V78 VanDerWaalsContact OD2-CG2 3.26Å; D43-V78 WeakPolarHBondContact OD2-CG2 3.38Å; D43-V78 PolarHBondContact OD2-N 3.39Å; K76-V78 HydrophobicContact CB-CG2 4.19Å; K76-V78 PolarHBondContact O-N 3.17Å; V78-M81 PolarHBondContact O-N 3.3Å; V78-A82 PolarHBondContact O-N 3.14Å
79	A	88.5	Confident	93.3	Very high	54 Å²	54	75 Å²	75	45%	0.446	40%	0.399	S	S	.	.	H	α-helix	trans	-63.8	-42	178.1	0	0	0	0	0	112.3	A77 A82 N83	A77-A79 VanDerWaalsContact C-N 3.32Å; A77-A79 PolarHBondContact O-N 3.3Å; A79-A82 WeakPolarHBondContact O-CB 3.48Å; A79-A82 PolarHBondContact O-N 3.03Å; A79-N83 PolarHBondContact O-N 3.17Å; A79-N83 VanDerWaalsContact O-N 3.14Å
80	Q	91.9	Very high	93.4	Very high	69 Å²	69	75.6 Å²	75.6	32%	0.322	40%	0.397	S	S	.	.	H	α-helix	trans	-68.1	-37.5	177.4	-66.2	76.8	4.5	0	0	111.1	Y75 A77 A82 N83 L84	Y75-Q80 PolarHBondContact OH-NE2 3.08Å; Y75-Q80 PolarHBondContact OH-OE1 3.41Å; A77-Q80 VanDerWaalsContact CA-OE1 3.3Å; A77-Q80 HydrophobicContact CB-CB 4.24Å; A77-Q80 PolarHBondContact O-N 3.47Å; A77-Q80 PolarHBondContact O-OE1 3.39Å; Q80-A82 VanDerWaalsContact C-N 3.32Å; Q80-A82 PolarHBondContact O-N 3.38Å; Q80-N83 PolarHBondContact O-N 2.67Å; Q80-L84 WeakPolarHBondContact O-CB 3.5Å; Q80-L84 PolarHBondContact O-N 3.38Å
81	M	93.6	Very high	93.5	Very high	99 Å²	99	81.4 Å²	81.4	49%	0.488	43%	0.428	S	S	.	.	H	α-helix	trans	-62.3	-39.8	174	-170.2	63.6	66	0	0	111.5	A77 V78 L84 L85	A77-M81 PolarHBondContact O-N 2.99Å; V78-M81 PolarHBondContact O-N 3.3Å; M81-L84 PolarHBondContact O-N 3.22Å; M81-L84 HydrophobicContact SD-CD2 4.22Å; M81-L85 HydrophobicContact CG-CD1 4.39Å; M81-L85 WeakPolarHBondContact O-CG 3.47Å; M81-L85 PolarHBondContact O-N 3.36Å
82	A	91	Very high	93.6	Very high	56 Å²	56	84.7 Å²	84.7	46%	0.463	46%	0.457	S	S	.	.	H	α-helix	trans	-62.2	-43.2	174.8	0	0	0	0	0	111.9	V78 A79 Q80 L85 A86	V78-A82 PolarHBondContact O-N 3.14Å; A79-A82 WeakPolarHBondContact O-CB 3.48Å; A79-A82 PolarHBondContact O-N 3.03Å; Q80-A82 VanDerWaalsContact C-N 3.32Å; Q80-A82 PolarHBondContact O-N 3.38Å; A82-L85 PolarHBondContact O-N 3.04Å; A82-A86 PolarHBondContact O-N 3.17Å
83	N	91.8	Very high	93.6	Very high	106 Å²	106	84.1 Å²	84.1	57%	0.567	46%	0.463	S	S	*	.	H	α-helix	trans	-61.9	-43	174.4	-70.6	-26.3	0	0	0	111.9	A79 Q80 L85 A86 E87	A79-N83 PolarHBondContact O-N 3.17Å; A79-N83 VanDerWaalsContact O-N 3.14Å; Q80-N83 PolarHBondContact O-N 2.67Å; N83-L85 PolarHBondContact O-N 3.44Å; N83-A86 WeakPolarHBondContact O-CB 3.37Å; N83-A86 PolarHBondContact O-N 2.86Å; N83-E87 WeakPolarHBondContact O-CG 3.31Å; N83-E87 PolarHBondContact O-N 3.44Å
84	L	94.7	Very high	93.6	Very high	61 Å²	61	79 Å²	79	32%	0.319	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-42.7	177.8	-175.9	64.6	0	0	0	111.9	Q80 M81 A86 E87 W88	Q80-L84 WeakPolarHBondContact O-CB 3.5Å; Q80-L84 PolarHBondContact O-N 3.38Å; M81-L84 PolarHBondContact O-N 3.22Å; M81-L84 HydrophobicContact SD-CD2 4.22Å; L84-A86 VanDerWaalsContact C-N 3.35Å; L84-E87 PolarHBondContact O-N 2.91Å; L84-W88 HydrophobicContact CD1-CZ2 4.04Å; L84-W88 HydrophobicContact CD2-CH2 3.94Å; L84-W88 HydrophobicContact CD2-CZ2 3.51Å; L84-W88 HydrophobicContact CG-CD2 4.26Å; L84-W88 HydrophobicContact CG-CH2 4.27Å; L84-W88 HydrophobicContact CG-CZ2 3.63Å; L84-W88 VanDerWaalsContact O-CG 3.25Å; L84-W88 PolarHBondContact O-N 2.82Å
85	L	93.9	Very high	93.7	Very high	87 Å²	87	83.6 Å²	83.6	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-63.5	-40.5	175	-72.1	169.5	0	0	0	111.8	M81 A82 N83 W88 L89	M81-L85 HydrophobicContact CG-CD1 4.39Å; M81-L85 WeakPolarHBondContact O-CG 3.47Å; M81-L85 PolarHBondContact O-N 3.36Å; A82-L85 PolarHBondContact O-N 3.04Å; N83-L85 PolarHBondContact O-N 3.44Å; L85-W88 HydrophobicContact CD2-CE3 3.81Å; L85-W88 HydrophobicContact CD2-CZ3 3.99Å; L85-W88 PolarHBondContact O-N 3.47Å; L85-L89 WeakPolarHBondContact O-CG 3.26Å; L85-L89 PolarHBondContact O-N 3.12Å
86	A	93.5	Very high	93.7	Very high	23 Å²	23	83.4 Å²	83.4	19%	0.19	47%	0.468	C	S	.	.	H	α-helix	trans	-61.3	-44.4	175.2	0	0	0	0	0	111.6	A82 N83 L84 W88 L89 I90 V99	A82-A86 PolarHBondContact O-N 3.17Å; N83-A86 WeakPolarHBondContact O-CB 3.37Å; N83-A86 PolarHBondContact O-N 2.86Å; L84-A86 VanDerWaalsContact C-N 3.35Å; A86-W88 PolarHBondContact O-N 3.34Å; A86-L89 PolarHBondContact O-N 3.24Å; A86-I90 WeakPolarHBondContact O-CG1 3.48Å; A86-I90 PolarHBondContact O-N 3.23Å; A86-I90 VanDerWaalsContact O-N 3.13Å; A86-V99 HydrophobicContact CB-CG1 3.73Å
87	E	94.2	Very high	93.6	Very high	116 Å²	116	81.5 Å²	81.5	54%	0.542	47%	0.468	S	S	.	.	H	α-helix	trans	-61.6	-41.6	174.2	-72.8	-179.7	-177.7	0	0	112.2	N83 L84 L89 I90 L91	N83-E87 WeakPolarHBondContact O-CG 3.31Å; N83-E87 PolarHBondContact O-N 3.44Å; L84-E87 PolarHBondContact O-N 2.91Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.04Å; E87-I90 PolarHBondContact O-N 3.24Å; E87-L91 WeakPolarHBondContact O-CG 3.45Å; E87-L91 PolarHBondContact O-N 3.06Å
88	W	96.7	Very high	93.7	Very high	138 Å²	138	84.7 Å²	84.7	52%	0.523	48%	0.479	S	S	.	.	H	α-helix	trans	-64	-37.7	177	-69.3	-4.3	0	0	0	112.8	L84 L85 A86 I90 L91 A92	L84-W88 HydrophobicContact CD1-CZ2 4.04Å; L84-W88 HydrophobicContact CD2-CH2 3.94Å; L84-W88 HydrophobicContact CD2-CZ2 3.51Å; L84-W88 HydrophobicContact CG-CD2 4.26Å; L84-W88 HydrophobicContact CG-CH2 4.27Å; L84-W88 HydrophobicContact CG-CZ2 3.63Å; L84-W88 VanDerWaalsContact O-CG 3.25Å; L84-W88 PolarHBondContact O-N 2.82Å; L85-W88 HydrophobicContact CD2-CE3 3.81Å; L85-W88 HydrophobicContact CD2-CZ3 3.99Å; L85-W88 PolarHBondContact O-N 3.47Å; A86-W88 PolarHBondContact O-N 3.34Å; W88-I90 VanDerWaalsContact C-N 3.32Å; W88-L91 PolarHBondContact O-N 3.11Å; W88-A92 WeakPolarHBondContact O-CB 3.4Å; W88-A92 PolarHBondContact O-N 3.36Å
89	L	95	Very high	93.8	Very high	70 Å²	70	80.7 Å²	80.7	37%	0.366	46%	0.455	S	S	.	.	H	α-helix	trans	-62.1	-42	173.4	-71.8	171.5	0	0	0	111.3	L85 A86 E87 A92 G93 V94 V99 M102	L85-L89 WeakPolarHBondContact O-CG 3.26Å; L85-L89 PolarHBondContact O-N 3.12Å; A86-L89 PolarHBondContact O-N 3.24Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.04Å; L89-A92 PolarHBondContact O-N 3.49Å; L89-G93 PolarHBondContact O-N 3.39Å; L89-V94 HydrophobicContact CB-CB 4.31Å; L89-V94 HydrophobicContact CB-CG2 4.26Å; L89-V94 HydrophobicContact CD2-CG2 4.32Å; L89-V94 VanDerWaalsContact O-CB 3.29Å; L89-V94 WeakPolarHBondContact O-CB 3.48Å; L89-V94 WeakPolarHBondContact O-CG2 3.44Å; L89-V94 PolarHBondContact O-N 3.33Å; L89-V99 HydrophobicContact CB-CG2 3.86Å; L89-V99 HydrophobicContact CD1-CG2 4.48Å; L89-M102 HydrophobicContact CD1-SD 4.31Å
90	I	94.8	Very high	93.9	Very high	69 Å²	69	83 Å²	83	35%	0.354	46%	0.457	S	S	.	.	H	α-helix	trans	-63.2	-45	176.5	-64.1	165.5	0	0	0	110.5	A86 E87 W88 A92 G93 V96 V99	A86-I90 WeakPolarHBondContact O-CG1 3.48Å; A86-I90 PolarHBondContact O-N 3.23Å; A86-I90 VanDerWaalsContact O-N 3.13Å; E87-I90 PolarHBondContact O-N 3.24Å; W88-I90 VanDerWaalsContact C-N 3.32Å; I90-A92 VanDerWaalsContact C-N 3.28Å; I90-A92 PolarHBondContact O-N 2.87Å; I90-G93 PolarHBondContact O-N 2.84Å; I90-V96 HydrophobicContact CD1-CG1 4.48Å; I90-V96 HydrophobicContact CD1-CG2 4.13Å; I90-V96 HydrophobicContact CG1-CG2 4.23Å; I90-V96 HydrophobicContact CG2-CG2 4.06Å; I90-V99 HydrophobicContact CG1-CB 4.47Å; I90-V99 HydrophobicContact CG1-CG2 3.98Å
91	L	95.2	Very high	93.9	Very high	146 Å²	146	81.4 Å²	81.4	76%	0.764	46%	0.455	S	S	*	.	H	α-helix	trans	-63.1	-33.8	175.8	-71.3	174.1	0	0	0	112.8	E87 W88 G93	E87-L91 WeakPolarHBondContact O-CG 3.45Å; E87-L91 PolarHBondContact O-N 3.06Å; W88-L91 PolarHBondContact O-N 3.11Å; L91-G93 PolarHBondContact O-N 2.88Å
92	A	95.6	Very high	93.8	Very high	85 Å²	85	81.6 Å²	81.6	70%	0.702	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-3.8	175.5	0	0	0	0	0	113.5	W88 L89 I90	W88-A92 WeakPolarHBondContact O-CB 3.4Å; W88-A92 PolarHBondContact O-N 3.36Å; L89-A92 PolarHBondContact O-N 3.49Å; I90-A92 VanDerWaalsContact C-N 3.28Å; I90-A92 PolarHBondContact O-N 2.87Å
93	G	94.4	Very high	93.8	Very high	64 Å²	64	82.7 Å²	82.7	66%	0.66	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.3	6.8	175.3	0	0	0	0	0	115	L89 I90 L91	L89-G93 PolarHBondContact O-N 3.39Å; I90-G93 PolarHBondContact O-N 2.84Å; L91-G93 PolarHBondContact O-N 2.88Å
94	V	95.2	Very high	93.8	Very high	36 Å²	36	79.2 Å²	79.2	22%	0.218	44%	0.437	C	S	.	.			trans	-71	135.9	171.1	-174.2	0	0	0	0	108.8	L89 E98 V99 M102	L89-V94 HydrophobicContact CB-CB 4.31Å; L89-V94 HydrophobicContact CB-CG2 4.26Å; L89-V94 HydrophobicContact CD2-CG2 4.32Å; L89-V94 VanDerWaalsContact O-CB 3.29Å; L89-V94 WeakPolarHBondContact O-CB 3.48Å; L89-V94 WeakPolarHBondContact O-CG2 3.44Å; L89-V94 PolarHBondContact O-N 3.33Å; V94-E98 HydrophobicContact CG1-CB 3.88Å; V94-V99 HydrophobicContact CB-CG2 4.06Å; V94-V99 HydrophobicContact CG1-CG2 3.66Å; V94-M102 HydrophobicContact CG1-CE 4.38Å
95	K	95.1	Very high	93.7	Very high	134 Å²	134	80.1 Å²	80.1	58%	0.583	44%	0.442	S	S	*	.			trans	-65.8	141.5	179.8	-65.4	178	-174.5	166.1	0	110.3	T97 E98 V99	K95-T97 PolarHBondContact O-N 3.1Å; K95-T97 VanDerWaalsContact O-N 3.15Å; K95-E98 HydrophobicContact CB-CB 4.46Å; K95-E98 HydrophobicContact CB-CG 4.16Å; K95-E98 WeakPolarHBondContact O-CA 3.29Å; K95-E98 WeakPolarHBondContact O-CB 3.38Å; K95-E98 PolarHBondContact O-N 2.89Å; K95-V99 PolarHBondContact O-N 3.32Å; K95-V99 VanDerWaalsContact O-N 3.11Å
96	V	94.1	Very high	93.6	Very high	88 Å²	88	81.2 Å²	81.2	53%	0.533	45%	0.445	S	S	.	.	H	α-helix	trans	-53.1	-39.7	177.2	-177.6	0	0	0	0	111.6	I90 E98 V99 Q100	I90-V96 HydrophobicContact CD1-CG1 4.48Å; I90-V96 HydrophobicContact CD1-CG2 4.13Å; I90-V96 HydrophobicContact CG1-CG2 4.23Å; I90-V96 HydrophobicContact CG2-CG2 4.06Å; V96-E98 VanDerWaalsContact C-N 3.3Å; V96-E98 PolarHBondContact O-N 3.02Å; V96-V99 PolarHBondContact O-N 2.92Å; V96-Q100 WeakPolarHBondContact O-CB 3.41Å; V96-Q100 PolarHBondContact O-N 2.68Å
97	T	93.1	Very high	93.5	Very high	96 Å²	96	83.8 Å²	83.8	59%	0.589	46%	0.455	S	S	*	.	H	α-helix	trans	-63.6	-33	177.1	53.3	0	0	0	0	113.3	K95 A101	K95-T97 PolarHBondContact O-N 3.1Å; K95-T97 VanDerWaalsContact O-N 3.15Å; T97-A101 WeakPolarHBondContact O-CB 3.39Å; T97-A101 PolarHBondContact O-N 3.08Å
98	E	93.4	Very high	93.4	Very high	89 Å²	89	79 Å²	79	42%	0.416	43%	0.432	S	S	.	.	H	α-helix	trans	-74.5	-42	177.2	-69.7	170.7	-161.1	0	0	110.7	V94 K95 V96 A101 M102	V94-E98 HydrophobicContact CG1-CB 3.88Å; K95-E98 HydrophobicContact CB-CB 4.46Å; K95-E98 HydrophobicContact CB-CG 4.16Å; K95-E98 WeakPolarHBondContact O-CA 3.29Å; K95-E98 WeakPolarHBondContact O-CB 3.38Å; K95-E98 PolarHBondContact O-N 2.89Å; V96-E98 VanDerWaalsContact C-N 3.3Å; V96-E98 PolarHBondContact O-N 3.02Å; E98-A101 PolarHBondContact O-N 3.3Å; E98-M102 WeakPolarHBondContact O-CG 3.49Å; E98-M102 PolarHBondContact O-N 3.48Å
99	V	93.5	Very high	93.2	Very high	9 Å²	9	77.3 Å²	77.3	6%	0.055	43%	0.43	C	S	.	.	H	α-helix	trans	-63	-43.7	175.1	-179.1	0	0	0	0	110.9	A86 L89 I90 V94 K95 V96 A101 M102 V103	A86-V99 HydrophobicContact CB-CG1 3.73Å; L89-V99 HydrophobicContact CB-CG2 3.86Å; L89-V99 HydrophobicContact CD1-CG2 4.48Å; I90-V99 HydrophobicContact CG1-CB 4.47Å; I90-V99 HydrophobicContact CG1-CG2 3.98Å; V94-V99 HydrophobicContact CB-CG2 4.06Å; V94-V99 HydrophobicContact CG1-CG2 3.66Å; K95-V99 PolarHBondContact O-N 3.32Å; K95-V99 VanDerWaalsContact O-N 3.11Å; V96-V99 PolarHBondContact O-N 2.92Å; V99-A101 VanDerWaalsContact C-N 3.35Å; V99-A101 PolarHBondContact O-N 3.27Å; V99-M102 WeakPolarHBondContact O-CB 3.49Å; V99-M102 PolarHBondContact O-N 3.29Å; V99-M102 VanDerWaalsContact O-N 3.16Å; V99-V103 PolarHBondContact O-N 3.05Å; V99-V103 VanDerWaalsContact O-N 3.13Å
100	Q	91.1	Very high	93.2	Very high	103 Å²	103	78.6 Å²	78.6	48%	0.481	44%	0.435	S	S	.	.	H	α-helix	trans	-58.3	-46.9	173.1	-178.9	177.3	-11.4	0	0	111.2	V96 M102 V103 E104	V96-Q100 WeakPolarHBondContact O-CB 3.41Å; V96-Q100 PolarHBondContact O-N 2.68Å; Q100-M102 VanDerWaalsContact C-N 3.29Å; Q100-M102 PolarHBondContact O-N 3.48Å; Q100-V103 PolarHBondContact O-N 2.94Å; Q100-V103 VanDerWaalsContact O-N 3.17Å; Q100-E104 HydrophobicContact CG-CG 4.31Å; Q100-E104 WeakPolarHBondContact CG-OE1 3.37Å; Q100-E104 PolarHBondContact NE2-OE1 2.86Å; Q100-E104 WeakPolarHBondContact O-CG 3.43Å; Q100-E104 PolarHBondContact O-N 3.18Å
101	A	91.3	Very high	93.1	Very high	35 Å²	35	77.9 Å²	77.9	29%	0.289	43%	0.432	S	S	.	.	H	α-helix	trans	-61.3	-34.7	176.3	0	0	0	0	0	112.6	T97 E98 V99 N105	T97-A101 WeakPolarHBondContact O-CB 3.39Å; T97-A101 PolarHBondContact O-N 3.08Å; E98-A101 PolarHBondContact O-N 3.3Å; V99-A101 VanDerWaalsContact C-N 3.35Å; V99-A101 PolarHBondContact O-N 3.27Å; A101-N105 WeakPolarHBondContact O-CB 3.46Å; A101-N105 PolarHBondContact O-N 3.45Å; A101-N105 PolarHBondContact O-ND2 3.28Å
102	M	91.9	Very high	93	Very high	103 Å²	103	72.3 Å²	72.3	51%	0.507	40%	0.403	S	S	.	.	H	α-helix	trans	-62	-45.4	174.2	-69.6	177.1	-166.1	0	0	111.5	L89 V94 E98 V99 Q100 H106	L89-M102 HydrophobicContact CD1-SD 4.31Å; V94-M102 HydrophobicContact CG1-CE 4.38Å; E98-M102 WeakPolarHBondContact O-CG 3.49Å; E98-M102 PolarHBondContact O-N 3.48Å; V99-M102 WeakPolarHBondContact O-CB 3.49Å; V99-M102 PolarHBondContact O-N 3.29Å; V99-M102 VanDerWaalsContact O-N 3.16Å; Q100-M102 VanDerWaalsContact C-N 3.29Å; Q100-M102 PolarHBondContact O-N 3.48Å; M102-H106 WeakPolarHBondContact O-CB 3.28Å; M102-H106 PolarHBondContact O-N 3.17Å
103	V	91	Very high	92.8	Very high	78 Å²	78	76.6 Å²	76.6	47%	0.473	41%	0.405	S	S	.	.	H	α-helix	trans	-66	-48.4	178	178.2	0	0	0	0	110.8	V99 Q100 N105 H106 L107	V99-V103 PolarHBondContact O-N 3.05Å; V99-V103 VanDerWaalsContact O-N 3.13Å; Q100-V103 PolarHBondContact O-N 2.94Å; Q100-V103 VanDerWaalsContact O-N 3.17Å; V103-N105 VanDerWaalsContact C-N 3.34Å; V103-N105 PolarHBondContact O-N 3.17Å; V103-H106 PolarHBondContact O-N 3.2Å; V103-L107 HydrophobicContact CG1-CD1 4.17Å; V103-L107 WeakPolarHBondContact O-CG 3.42Å; V103-L107 PolarHBondContact O-N 3.45Å
104	E	92	Very high	92.8	Very high	33 Å²	33	77.6 Å²	77.6	15%	0.154	40%	0.403	C	S	.	.	H	α-helix	trans	-59.3	-43.6	177.9	-72.9	-179.6	-170.2	0	0	112	Q100 L107 K108 T142 W143	Q100-E104 HydrophobicContact CG-CG 4.31Å; Q100-E104 WeakPolarHBondContact CG-OE1 3.37Å; Q100-E104 PolarHBondContact NE2-OE1 2.86Å; Q100-E104 WeakPolarHBondContact O-CG 3.43Å; Q100-E104 PolarHBondContact O-N 3.18Å; E104-L107 PolarHBondContact O-N 3.19Å; E104-K108 VanDerWaalsContact O-CB 3.26Å; E104-K108 WeakPolarHBondContact O-CB 3.35Å; E104-K108 PolarHBondContact O-N 3.02Å; E104-T142 HydrophobicContact CB-CG2 4.3Å; E104-T142 PolarHBondContact OE2-OG1 3.31Å; E104-W143 HydrophobicContact CB-CH2 4.25Å; E104-W143 HydrophobicContact CB-CZ2 4.41Å; E104-W143 HydrophobicContact CG-CH2 4.32Å; E104-W143 HydrophobicContact CG-CZ2 4.02Å
105	N	92.2	Very high	92.7	Very high	80 Å²	80	77.5 Å²	77.5	43%	0.428	40%	0.399	S	S	.	.	H	α-helix	trans	-65.8	-39.3	177.7	-75.7	-40.8	0	0	0	111.9	A101 V103 K108 E109	A101-N105 WeakPolarHBondContact O-CB 3.46Å; A101-N105 PolarHBondContact O-N 3.45Å; A101-N105 PolarHBondContact O-ND2 3.28Å; V103-N105 VanDerWaalsContact C-N 3.34Å; V103-N105 PolarHBondContact O-N 3.17Å; N105-K108 WeakPolarHBondContact O-CB 3.22Å; N105-K108 PolarHBondContact O-N 3.08Å; N105-E109 WeakPolarHBondContact O-CG 3.47Å; N105-E109 PolarHBondContact O-N 2.94Å
106	H	91.6	Very high	92.6	Very high	110 Å²	110	73.9 Å²	73.9	51%	0.509	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-44.2	175.6	-172.4	67.2	0	0	0	111.9	M102 V103 K108 E109 M110	M102-H106 WeakPolarHBondContact O-CB 3.28Å; M102-H106 PolarHBondContact O-N 3.17Å; V103-H106 PolarHBondContact O-N 3.2Å; H106-K108 VanDerWaalsContact C-N 3.35Å; H106-K108 PolarHBondContact O-N 2.8Å; H106-E109 PolarHBondContact O-N 3.29Å; H106-M110 WeakPolarHBondContact O-CB 3.5Å; H106-M110 PolarHBondContact O-N 3.38Å
107	L	92.2	Very high	92.5	Very high	77 Å²	77	71.3 Å²	71.3	40%	0.403	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-44.4	174	-73.3	174.2	0	0	0	111.3	V103 E104 E109 M110 I111 W143	V103-L107 HydrophobicContact CG1-CD1 4.17Å; V103-L107 WeakPolarHBondContact O-CG 3.42Å; V103-L107 PolarHBondContact O-N 3.45Å; E104-L107 PolarHBondContact O-N 3.19Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-E109 PolarHBondContact O-N 3.1Å; L107-M110 PolarHBondContact O-N 3.38Å; L107-M110 VanDerWaalsContact O-N 3.17Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 3.13Å; L107-W143 HydrophobicContact CB-CH2 4.15Å; L107-W143 HydrophobicContact CD1-CH2 4.47Å
108	K	92.3	Very high	92.4	Very high	15 Å²	15	74.7 Å²	74.7	7%	0.065	38%	0.378	C	S	.	.	H	α-helix	trans	-55.4	-47.9	175.4	-177	178.2	-175.5	162.3	0	111.8	E104 N105 H106 I111 L112 W143 S145 L146	E104-K108 VanDerWaalsContact O-CB 3.26Å; E104-K108 WeakPolarHBondContact O-CB 3.35Å; E104-K108 PolarHBondContact O-N 3.02Å; N105-K108 WeakPolarHBondContact O-CB 3.22Å; N105-K108 PolarHBondContact O-N 3.08Å; H106-K108 VanDerWaalsContact C-N 3.35Å; H106-K108 PolarHBondContact O-N 2.8Å; K108-I111 PolarHBondContact O-N 2.73Å; K108-L112 HydrophobicContact CG-CD1 4.41Å; K108-L112 WeakPolarHBondContact O-CG 3.45Å; K108-L112 PolarHBondContact O-N 2.85Å; K108-W143 HydrophobicContact CB-CZ3 4.43Å; K108-S145 PolarHBondContact NZ-OG 3.02Å; K108-L146 HydrophobicContact CG-CB 4.14Å; K108-L146 HydrophobicContact CG-CD1 3.91Å; K108-L146 HydrophobicContact CG-CD2 4.47Å; K108-L146 HydrophobicContact CG-CG 4.39Å
109	E	92.7	Very high	92.2	Very high	104 Å²	104	77.2 Å²	77.2	49%	0.486	39%	0.387	S	S	.	.	H	α-helix	trans	-64.8	-38.8	176.9	-73.6	-178.5	-172.5	0	0	112.9	N105 H106 L107 L112 K113	N105-E109 WeakPolarHBondContact O-CG 3.47Å; N105-E109 PolarHBondContact O-N 2.94Å; H106-E109 PolarHBondContact O-N 3.29Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-E109 PolarHBondContact O-N 3.1Å; E109-L112 PolarHBondContact O-N 3.07Å; E109-K113 WeakPolarHBondContact O-CG 3.33Å; E109-K113 PolarHBondContact O-N 2.86Å; E109-K113 VanDerWaalsContact O-N 3.08Å
110	M	93.8	Very high	91.9	Very high	96 Å²	96	77.1 Å²	77.1	47%	0.473	39%	0.387	S	S	.	.	H	α-helix	trans	-64.9	-43.7	177.4	-171.2	-178.6	-62.5	0	0	111.2	H106 L107 K113 S114	H106-M110 WeakPolarHBondContact O-CB 3.5Å; H106-M110 PolarHBondContact O-N 3.38Å; L107-M110 PolarHBondContact O-N 3.38Å; L107-M110 VanDerWaalsContact O-N 3.17Å; M110-K113 PolarHBondContact O-N 3.49Å; M110-S114 WeakPolarHBondContact O-CB 3.46Å; M110-S114 PolarHBondContact O-N 3.2Å; M110-S114 PolarHBondContact O-OG 2.85Å
111	I	93.8	Very high	91.8	Very high	54 Å²	54	73.8 Å²	73.8	28%	0.277	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-50.5	175.9	-65.5	164.1	0	0	0	109.4	L107 K108 K113 S114 F115 W143 L146 L150	L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 3.13Å; K108-I111 PolarHBondContact O-N 2.73Å; I111-K113 PolarHBondContact O-N 3.43Å; I111-S114 PolarHBondContact O-N 2.97Å; I111-S114 VanDerWaalsContact O-N 3.11Å; I111-F115 HydrophobicContact CG2-CD2 4.34Å; I111-F115 VanDerWaalsContact O-CB 3.22Å; I111-F115 WeakPolarHBondContact O-CB 3.38Å; I111-F115 PolarHBondContact O-N 2.71Å; I111-W143 HydrophobicContact CD1-CZ3 4.48Å; I111-L146 HydrophobicContact CB-CD1 4.4Å; I111-L146 HydrophobicContact CB-CD2 4.09Å; I111-L146 HydrophobicContact CD1-CD2 3.62Å; I111-L146 HydrophobicContact CG1-CD2 4.47Å; I111-L146 HydrophobicContact CG2-CD1 4.2Å; I111-L146 HydrophobicContact CG2-CD2 3.96Å; I111-L146 HydrophobicContact CG2-CG 4.49Å; I111-L150 HydrophobicContact CG2-CD1 4.05Å
112	L	92.3	Very high	91.5	Very high	30 Å²	30	75.1 Å²	75.1	16%	0.157	38%	0.378	C	S	.	.	H	α-helix	trans	-54.1	-39.7	177.7	-72.4	169.7	0	0	0	112.7	K108 E109 L146 R149 L150	K108-L112 HydrophobicContact CG-CD1 4.41Å; K108-L112 WeakPolarHBondContact O-CG 3.45Å; K108-L112 PolarHBondContact O-N 2.85Å; E109-L112 PolarHBondContact O-N 3.07Å; L112-L146 HydrophobicContact CD1-CD1 4.32Å; L112-L146 HydrophobicContact CD2-CD1 3.63Å; L112-L146 HydrophobicContact CG-CD1 3.59Å; L112-R149 HydrophobicContact CD2-CB 3.89Å; L112-L150 HydrophobicContact CD2-CD2 3.81Å; L112-L150 HydrophobicContact CD2-CG 4.03Å
113	K	92.6	Very high	91	Very high	174 Å²	174	73 Å²	73	76%	0.757	37%	0.368	S	S	*	.	H	α-helix	trans	-75.6	-27.1	-179.5	-74.1	173.6	-178.2	167.7	0	114.6	E109 M110 I111	E109-K113 WeakPolarHBondContact O-CG 3.33Å; E109-K113 PolarHBondContact O-N 2.86Å; E109-K113 VanDerWaalsContact O-N 3.08Å; M110-K113 PolarHBondContact O-N 3.49Å; I111-K113 PolarHBondContact O-N 3.43Å
114	S	93	Very high	90	Very high	86 Å²	86	71.4 Å²	71.4	60%	0.601	36%	0.355	S	S	*	.	H	α-helix	trans	-117.6	-1.3	-169.4	62.5	0	0	0	0	114.2	M110 I111 D116	M110-S114 WeakPolarHBondContact O-CB 3.46Å; M110-S114 PolarHBondContact O-N 3.2Å; M110-S114 PolarHBondContact O-OG 2.85Å; I111-S114 PolarHBondContact O-N 2.97Å; I111-S114 VanDerWaalsContact O-N 3.11Å; S114-D116 PolarHBondContact O-N 3.09Å
115	F	94.2	Very high	89	Confident	33 Å²	33	74.8 Å²	74.8	15%	0.145	38%	0.378	C	S	.	.			trans	-60.6	127.4	-179.5	-173.4	-95.9	0	0	0	111	I111 P117 A120 L150 Y154 L160	I111-F115 HydrophobicContact CG2-CD2 4.34Å; I111-F115 VanDerWaalsContact O-CB 3.22Å; I111-F115 WeakPolarHBondContact O-CB 3.38Å; I111-F115 PolarHBondContact O-N 2.71Å; F115-P117 HydrophobicContact CE1-CB 4.08Å; F115-A120 HydrophobicContact CE1-CB 4.37Å; F115-A120 HydrophobicContact CE2-CB 3.88Å; F115-A120 HydrophobicContact CZ-CB 3.52Å; F115-L150 HydrophobicContact CB-CD2 3.63Å; F115-L150 HydrophobicContact CD1-CD2 3.86Å; F115-L150 HydrophobicContact CD2-CD1 3.78Å; F115-L150 HydrophobicContact CD2-CD2 4.04Å; F115-L150 HydrophobicContact CE2-CD1 3.95Å; F115-L150 HydrophobicContact CG-CD1 4.19Å; F115-L150 HydrophobicContact CG-CD2 3.57Å; F115-L150 HydrophobicContact CG-CG 4.48Å; F115-L150 HydrophobicContact CZ-CD1 4.5Å; F115-Y154 HydrophobicContact CB-CE2 4.43Å; F115-Y154 AromaticContact CD1-CD2 3.64Å; F115-Y154 HydrophobicContact CD1-CD2 3.64Å; F115-Y154 AromaticContact CD1-CE2 3.73Å; F115-Y154 HydrophobicContact CD1-CE2 3.73Å; F115-Y154 HydrophobicContact CD1-CG 4.29Å; F115-Y154 HydrophobicContact CE1-CD2 4.03Å; F115-Y154 HydrophobicContact CE1-CG 4.38Å; F115-L160 HydrophobicContact CE1-CD1 3.75Å; F115-L160 HydrophobicContact CE1-CG 4.36Å; F115-L160 HydrophobicContact CE2-CD2 4.48Å; F115-L160 HydrophobicContact CZ-CD1 3.81Å; F115-L160 HydrophobicContact CZ-CD2 4.02Å; F115-L160 HydrophobicContact CZ-CG 3.92Å
116	D	93.1	Very high	88	Confident	59 Å²	59	78.6 Å²	78.6	32%	0.316	39%	0.393	S	S	.	.			trans	-115.4	109.9	175.2	-177.6	-17.8	0	0	0	108.6	S114 K118 K119 A120	S114-D116 PolarHBondContact O-N 3.09Å; D116-K118 PolarHBondContact O-N 3.37Å; D116-K118 WeakPolarHBondContact OD1-CB 3.42Å; D116-K118 PolarHBondContact OD1-N 3.47Å; D116-K119 HydrophobicContact CB-CB 4.15Å; D116-K119 HydrophobicContact CB-CD 4.04Å; D116-K119 HydrophobicContact CB-CG 4.12Å; D116-K119 PolarHBondContact O-N 3.22Å; D116-K119 WeakPolarHBondContact OD2-CE 3.48Å; D116-K119 WeakPolarHBondContact OD2-CG 3.26Å; D116-A120 PolarHBondContact O-N 2.94Å
117	P	91.5	Very high	86.8	Confident	33 Å²	33	78.7 Å²	78.7	21%	0.214	39%	0.393	C	S	.	.	H	α-helix	trans	-61.7	-31.2	-176.2	25.6	-35.1	0	0	0	112.4	F115 A120 D121 Y154 C157	F115-P117 HydrophobicContact CE1-CB 4.08Å; P117-A120 PolarHBondContact O-N 3.14Å; P117-D121 PolarHBondContact O-N 2.98Å; P117-Y154 HydrophobicContact CB-CD1 4.21Å; P117-Y154 HydrophobicContact CB-CG 4.34Å; P117-Y154 HydrophobicContact CG-CD1 3.71Å; P117-Y154 HydrophobicContact CG-CE1 4.13Å; P117-Y154 HydrophobicContact CG-CG 4.31Å; P117-C157 HydrophobicContact CB-CB 4.01Å
118	K	90.5	Very high	85.6	Confident	167 Å²	167	78.4 Å²	78.4	73%	0.726	41%	0.409	S	S	*	.	H	α-helix	trans	-70	-40.2	-179.5	-65.4	-179.2	179	178	0	111.5	D116 D121 T122	D116-K118 PolarHBondContact O-N 3.37Å; D116-K118 WeakPolarHBondContact OD1-CB 3.42Å; D116-K118 PolarHBondContact OD1-N 3.47Å; K118-D121 PolarHBondContact O-N 3.31Å; K118-T122 WeakPolarHBondContact O-CG2 3.47Å; K118-T122 PolarHBondContact O-N 2.95Å; K118-T122 VanDerWaalsContact O-N 3.17Å
119	K	89.2	Confident	84.9	Confident	142 Å²	142	85.3 Å²	85.3	62%	0.617	44%	0.442	S	S	*	.	H	α-helix	trans	-69.5	-35.7	175.5	-67.9	-178.7	-173.5	175.9	0	111.8	D116 T122	D116-K119 HydrophobicContact CB-CB 4.15Å; D116-K119 HydrophobicContact CB-CD 4.04Å; D116-K119 HydrophobicContact CB-CG 4.12Å; D116-K119 PolarHBondContact O-N 3.22Å; D116-K119 WeakPolarHBondContact OD2-CE 3.48Å; D116-K119 WeakPolarHBondContact OD2-CG 3.26Å; K119-T122 WeakPolarHBondContact CA-OG1 3.38Å; K119-T122 PolarHBondContact O-N 3.41Å; K119-T122 PolarHBondContact O-OG1 3.03Å
120	A	88.3	Confident	84.3	Confident	7 Å²	7	82.9 Å²	82.9	6%	0.058	43%	0.434	C	S	.	.	H	α-helix	trans	-63.2	-44	174.8	0	0	0	0	0	111.3	F115 D116 P117 T122 I123 M159	F115-A120 HydrophobicContact CE1-CB 4.37Å; F115-A120 HydrophobicContact CE2-CB 3.88Å; F115-A120 HydrophobicContact CZ-CB 3.52Å; D116-A120 PolarHBondContact O-N 2.94Å; P117-A120 PolarHBondContact O-N 3.14Å; A120-T122 VanDerWaalsContact C-N 3.31Å; A120-T122 PolarHBondContact O-N 3.4Å; A120-I123 WeakPolarHBondContact O-CB 3.32Å; A120-I123 PolarHBondContact O-N 3.23Å; A120-M159 HydrophobicContact CB-CB 4.32Å; A120-M159 HydrophobicContact CB-CE 4.35Å; A120-M159 HydrophobicContact CB-CG 4.45Å
121	D	87.8	Confident	83.8	Confident	33 Å²	33	78.7 Å²	78.7	18%	0.176	41%	0.414	C	S	.	.	H	α-helix	trans	-64.5	-33.9	177.7	-74.7	-16.4	0	0	0	112.6	P117 K118 I123 F124 T125 C157 L158 M159	P117-D121 PolarHBondContact O-N 2.98Å; K118-D121 PolarHBondContact O-N 3.31Å; D121-I123 VanDerWaalsContact C-N 3.26Å; D121-I123 PolarHBondContact O-N 3.37Å; D121-F124 PolarHBondContact O-N 3.32Å; D121-T125 PolarHBondContact O-N 2.83Å; D121-T125 VanDerWaalsContact O-N 3.14Å; D121-C157 PolarHBondContact OD1-SG 3.13Å; D121-C157 VanDerWaalsContact OD1-SG 3.39Å; D121-L158 WeakPolarHBondContact OD1-CA 3.35Å; D121-L158 WeakPolarHBondContact OD1-CB 3.41Å; D121-L158 PolarHBondContact OD1-N 3.16Å; D121-L158 PolarHBondContact OD2-N 2.97Å; D121-M159 PolarHBondContact OD1-N 2.87Å
122	T	86.5	Confident	83.5	Confident	63 Å²	63	82.6 Å²	82.6	39%	0.387	44%	0.435	S	S	.	.	H	α-helix	trans	-60.9	-33.9	177.4	46.5	0	0	0	0	113.4	K118 K119 A120 F124 T125 E126	K118-T122 WeakPolarHBondContact O-CG2 3.47Å; K118-T122 PolarHBondContact O-N 2.95Å; K118-T122 VanDerWaalsContact O-N 3.17Å; K119-T122 WeakPolarHBondContact CA-OG1 3.38Å; K119-T122 PolarHBondContact O-N 3.41Å; K119-T122 PolarHBondContact O-OG1 3.03Å; A120-T122 VanDerWaalsContact C-N 3.31Å; A120-T122 PolarHBondContact O-N 3.4Å; T122-F124 VanDerWaalsContact C-N 3.29Å; T122-F124 PolarHBondContact O-N 2.93Å; T122-T125 VanDerWaalsContact CA-OG1 3.31Å; T122-T125 WeakPolarHBondContact CA-OG1 3.3Å; T122-T125 PolarHBondContact O-N 3.42Å; T122-T125 PolarHBondContact O-OG1 3.26Å; T122-E126 WeakPolarHBondContact O-CB 3.44Å; T122-E126 WeakPolarHBondContact O-CG 3.46Å; T122-E126 PolarHBondContact O-N 3.5Å
123	I	79.4	Confident	83.4	Confident	59 Å²	59	85.8 Å²	85.8	30%	0.303	45%	0.446	S	S	.	.	H	α-helix	trans	-59.8	-43.2	177.8	-61.2	168.4	0	0	0	110.1	A120 D121 E127 P131 W133	A120-I123 WeakPolarHBondContact O-CB 3.32Å; A120-I123 PolarHBondContact O-N 3.23Å; D121-I123 VanDerWaalsContact C-N 3.26Å; D121-I123 PolarHBondContact O-N 3.37Å; I123-E127 WeakPolarHBondContact O-CB 3.5Å; I123-E127 PolarHBondContact O-N 3.45Å; I123-P131 HydrophobicContact CG2-CG 4.35Å; I123-W133 HydrophobicContact CG2-CZ2 4.41Å
124	F	71	Confident	83.2	Confident	44 Å²	44	77.6 Å²	77.6	19%	0.193	41%	0.41	C	S	.	.	H	α-helix	trans	-72.2	-33.7	178.9	-103.1	-94.2	0	0	0	113.6	D121 T122 L134 M159 F162	D121-F124 PolarHBondContact O-N 3.32Å; T122-F124 VanDerWaalsContact C-N 3.29Å; T122-F124 PolarHBondContact O-N 2.93Å; F124-L134 HydrophobicContact CE2-CD2 3.93Å; F124-L134 HydrophobicContact CZ-CD2 3.91Å; F124-M159 HydrophobicContact CD2-CB 3.93Å; F124-M159 HydrophobicContact CD2-CG 3.49Å; F124-M159 VanDerWaalsContact CD2-CG 3.49Å; F124-M159 HydrophobicContact CE2-CB 4.47Å; F124-M159 HydrophobicContact CE2-CG 3.71Å; F124-F162 HydrophobicContact CD1-CD1 4.23Å; F124-F162 HydrophobicContact CD1-CE1 4.49Å; F124-F162 HydrophobicContact CE1-CB 4.5Å; F124-F162 AromaticContact CE1-CD1 3.15Å; F124-F162 HydrophobicContact CE1-CD1 3.15Å; F124-F162 HydrophobicContact CE1-CD2 4.47Å; F124-F162 AromaticContact CE1-CE1 3.24Å; F124-F162 HydrophobicContact CE1-CE1 3.24Å; F124-F162 AromaticContact CE1-CG 3.81Å; F124-F162 HydrophobicContact CE1-CG 3.81Å; F124-F162 AromaticContact CE1-CZ 3.99Å; F124-F162 HydrophobicContact CE1-CZ 3.99Å; F124-F162 HydrophobicContact CE2-CD1 4.21Å; F124-F162 AromaticContact CZ-CD1 3.15Å; F124-F162 HydrophobicContact CZ-CD1 3.15Å; F124-F162 AromaticContact CZ-CE1 3.35Å; F124-F162 HydrophobicContact CZ-CE1 3.35Å; F124-F162 HydrophobicContact CZ-CG 4.13Å; F124-F162 HydrophobicContact CZ-CZ 4.48Å
125	T	71.8	Confident	83	Confident	104 Å²	104	76.9 Å²	76.9	64%	0.638	40%	0.402	S	S	*	.	H	α-helix	trans	-74.2	-28.9	179.1	55.1	0	0	0	0	113.2	D121 T122	D121-T125 PolarHBondContact O-N 2.83Å; D121-T125 VanDerWaalsContact O-N 3.14Å; T122-T125 VanDerWaalsContact CA-OG1 3.31Å; T122-T125 WeakPolarHBondContact CA-OG1 3.3Å; T122-T125 PolarHBondContact O-N 3.42Å; T122-T125 PolarHBondContact O-OG1 3.26Å
126	E	71	Confident	82.9	Confident	160 Å²	160	81.7 Å²	81.7	75%	0.748	43%	0.425	S	S	*	.	H	α-helix	trans	-90.5	-40.8	-175.7	-70.3	-178.7	-178.5	0	0	113.1	T122	T122-E126 WeakPolarHBondContact O-CB 3.44Å; T122-E126 WeakPolarHBondContact O-CG 3.46Å; T122-E126 PolarHBondContact O-N 3.5Å
127	E	66.2	Low	82.8	Confident	112 Å²	112	81.1 Å²	81.1	52%	0.523	42%	0.421	S	S	.	.	H	α-helix	trans	-80.9	-26.7	-174.5	-67.4	-175	170	0	0	113.3	I123 E129 P131	I123-E127 WeakPolarHBondContact O-CB 3.5Å; I123-E127 PolarHBondContact O-N 3.45Å; E127-E129 PolarHBondContact O-N 2.96Å; E127-P131 WeakPolarHBondContact OE2-CG 3.43Å
128	G	67.3	Low	82.8	Confident	71 Å²	71	80 Å²	80	73%	0.732	41%	0.413	S	S	*	.			trans	68.2	-19.8	176.6	0	0	0	0	0	116
129	E	77	Confident	82.8	Confident	160 Å²	160	77.4 Å²	77.4	75%	0.748	41%	0.407	S	S	*	.	S	Bend	trans	-113	165	173.8	-67.4	-174.4	173	0	0	111.2	E127	E127-E129 PolarHBondContact O-N 2.96Å
130	T	79.4	Confident	82.9	Confident	53 Å²	53	75.4 Å²	75.4	33%	0.325	40%	0.4	S	S	.	.			trans	-74.5	126.4	175.3	-58.3	0	0	0	0	109.1	L134 F162 L166	T130-L134 HydrophobicContact CG2-CD2 4.19Å; T130-F162 HydrophobicContact CG2-CE1 4.3Å; T130-L166 HydrophobicContact CG2-CD1 3.62Å
131	P	84.5	Confident	83	Confident	9 Å²	9	82 Å²	82	6%	0.058	42%	0.424	C	S	.	.			trans	-66.6	138.9	-179.5	-15.2	26.3	0	0	0	112.3	I123 E127 W133 L134 T135	I123-P131 HydrophobicContact CG2-CG 4.35Å; E127-P131 WeakPolarHBondContact OE2-CG 3.43Å; P131-W133 VanDerWaalsContact C-N 3.27Å; P131-W133 VanDerWaalsContact CB-CD1 3.41Å; P131-W133 HydrophobicContact CB-CD2 4.16Å; P131-W133 HydrophobicContact CB-CG 4.07Å; P131-W133 HydrophobicContact CB-CZ2 4.16Å; P131-W133 HydrophobicContact CG-CZ2 4.02Å; P131-W133 PolarHBondContact O-N 3.32Å; P131-L134 HydrophobicContact CB-CB 4.42Å; P131-L134 WeakPolarHBondContact O-CB 3.45Å; P131-L134 PolarHBondContact O-N 3.37Å; P131-T135 PolarHBondContact O-N 3.02Å
132	D	86.3	Confident	83.1	Confident	135 Å²	135	82.1 Å²	82.1	72%	0.722	43%	0.426	S	S	*	.	H	α-helix	trans	-58	-40.2	179.5	-69.7	-31	0	0	0	112.1	L134 T135 E136	D132-L134 PolarHBondContact O-N 2.91Å; D132-T135 WeakPolarHBondContact O-CB 3.44Å; D132-T135 PolarHBondContact O-N 3.34Å; D132-E136 PolarHBondContact O-N 3.16Å; D132-E136 VanDerWaalsContact O-N 3.1Å
133	W	89.6	Confident	83.4	Confident	98 Å²	98	81 Å²	81	37%	0.371	42%	0.415	S	S	.	.	H	α-helix	trans	-59.6	-30.4	178.1	65.1	-101.9	0	0	0	112.6	I123 P131 M137 M159	I123-W133 HydrophobicContact CG2-CZ2 4.41Å; P131-W133 VanDerWaalsContact C-N 3.27Å; P131-W133 VanDerWaalsContact CB-CD1 3.41Å; P131-W133 HydrophobicContact CB-CD2 4.16Å; P131-W133 HydrophobicContact CB-CG 4.07Å; P131-W133 HydrophobicContact CB-CZ2 4.16Å; P131-W133 HydrophobicContact CG-CZ2 4.02Å; P131-W133 PolarHBondContact O-N 3.32Å; W133-M137 HydrophobicContact CE3-CG 4.35Å; W133-M137 HydrophobicContact CE3-SD 3.53Å; W133-M137 VanDerWaalsContact CE3-SD 3.53Å; W133-M137 HydrophobicContact CZ3-SD 3.57Å; W133-M137 VanDerWaalsContact CZ3-SD 3.57Å; W133-M137 WeakPolarHBondContact O-CB 3.26Å; W133-M137 VanDerWaalsContact O-CG 3.3Å; W133-M137 WeakPolarHBondContact O-CG 3.47Å; W133-M137 PolarHBondContact O-N 3.43Å; W133-M159 HydrophobicContact CH2-CE 3.83Å
134	L	90	Very high	84	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.005	40%	0.403	C	S	.	.	H	α-helix	trans	-71	-39.6	179	-173.3	65.2	0	0	0	110.4	F124 T130 P131 D132 M137 I138 T163 L166	F124-L134 HydrophobicContact CE2-CD2 3.93Å; F124-L134 HydrophobicContact CZ-CD2 3.91Å; T130-L134 HydrophobicContact CG2-CD2 4.19Å; P131-L134 HydrophobicContact CB-CB 4.42Å; P131-L134 WeakPolarHBondContact O-CB 3.45Å; P131-L134 PolarHBondContact O-N 3.37Å; D132-L134 PolarHBondContact O-N 2.91Å; L134-M137 PolarHBondContact O-N 3.16Å; L134-I138 HydrophobicContact CG-CD1 4.39Å; L134-I138 VanDerWaalsContact O-CG1 3.25Å; L134-I138 WeakPolarHBondContact O-CG1 3.33Å; L134-I138 PolarHBondContact O-N 3.37Å; L134-T163 HydrophobicContact CD1-CG2 3.72Å; L134-T163 HydrophobicContact CD2-CG2 4.41Å; L134-T163 HydrophobicContact CG-CG2 4.29Å; L134-L166 HydrophobicContact CD2-CD1 3.99Å
135	T	88.5	Confident	84.9	Confident	72 Å²	72	77.6 Å²	77.6	44%	0.442	40%	0.4	S	S	.	.	H	α-helix	trans	-63.1	-45.4	175.8	-53.1	0	0	0	0	110.5	P131 D132 M137 I138 D139	P131-T135 PolarHBondContact O-N 3.02Å; D132-T135 WeakPolarHBondContact O-CB 3.44Å; D132-T135 PolarHBondContact O-N 3.34Å; T135-M137 VanDerWaalsContact C-N 3.35Å; T135-M137 PolarHBondContact O-N 3.08Å; T135-I138 PolarHBondContact O-N 2.88Å; T135-I138 VanDerWaalsContact O-N 3.17Å; T135-D139 PolarHBondContact O-N 3.34Å
136	E	91.2	Very high	85.8	Confident	134 Å²	134	72.7 Å²	72.7	63%	0.626	37%	0.37	S	S	*	.	H	α-helix	trans	-62	-40.9	175.3	-66.3	-176.5	171.7	0	0	112	D132 I138 D139 H140	D132-E136 PolarHBondContact O-N 3.16Å; D132-E136 VanDerWaalsContact O-N 3.1Å; E136-I138 VanDerWaalsContact C-N 3.3Å; E136-I138 PolarHBondContact O-N 2.97Å; E136-D139 PolarHBondContact O-N 2.96Å; E136-H140 PolarHBondContact O-CD2 3.32Å; E136-H140 VanDerWaalsContact O-CD2 3.3Å
137	M	91.9	Very high	86.8	Confident	46 Å²	46	65.6 Å²	65.6	23%	0.227	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-38.4	175.1	-79	-175	69.7	0	0	112.3	W133 L134 T135 D139 H140 W143	W133-M137 HydrophobicContact CE3-CG 4.35Å; W133-M137 HydrophobicContact CE3-SD 3.53Å; W133-M137 VanDerWaalsContact CE3-SD 3.53Å; W133-M137 HydrophobicContact CZ3-SD 3.57Å; W133-M137 VanDerWaalsContact CZ3-SD 3.57Å; W133-M137 WeakPolarHBondContact O-CB 3.26Å; W133-M137 VanDerWaalsContact O-CG 3.3Å; W133-M137 WeakPolarHBondContact O-CG 3.47Å; W133-M137 PolarHBondContact O-N 3.43Å; L134-M137 PolarHBondContact O-N 3.16Å; T135-M137 VanDerWaalsContact C-N 3.35Å; T135-M137 PolarHBondContact O-N 3.08Å; M137-D139 VanDerWaalsContact C-N 3.26Å; M137-D139 PolarHBondContact O-N 3.02Å; M137-H140 PolarHBondContact O-N 3.39Å; M137-W143 HydrophobicContact CB-CB 4.23Å; M137-W143 HydrophobicContact CE-CB 3.91Å; M137-W143 HydrophobicContact CE-CD2 4.31Å; M137-W143 HydrophobicContact CE-CE3 4.46Å; M137-W143 HydrophobicContact CE-CG 4.07Å; M137-W143 HydrophobicContact CG-CG 4.45Å; M137-W143 WeakPolarHBondContact O-CB 3.46Å
138	I	91	Very high	87.9	Confident	11 Å²	11	61.1 Å²	61.1	6%	0.056	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-30.6	-179	-72.2	168.7	0	0	0	111.9	L134 T135 E136 H140 R144 T163 L166 I167 A170 F172	L134-I138 HydrophobicContact CG-CD1 4.39Å; L134-I138 VanDerWaalsContact O-CG1 3.25Å; L134-I138 WeakPolarHBondContact O-CG1 3.33Å; L134-I138 PolarHBondContact O-N 3.37Å; T135-I138 PolarHBondContact O-N 2.88Å; T135-I138 VanDerWaalsContact O-N 3.17Å; E136-I138 VanDerWaalsContact C-N 3.3Å; E136-I138 PolarHBondContact O-N 2.97Å; I138-H140 PolarHBondContact O-N 3.17Å; I138-R144 VanDerWaalsContact O-CD 3.23Å; I138-R144 WeakPolarHBondContact O-CD 3.3Å; I138-R144 VanDerWaalsContact O-CG 3.26Å; I138-R144 WeakPolarHBondContact O-CG 3.41Å; I138-R144 PolarHBondContact O-NH1 2.86Å; I138-T163 HydrophobicContact CD1-CG2 4.3Å; I138-T163 HydrophobicContact CG1-CG2 4.39Å; I138-L166 HydrophobicContact CD1-CB 3.57Å; I138-L166 HydrophobicContact CD1-CD1 4.07Å; I138-I167 HydrophobicContact CB-CG1 4.43Å; I138-I167 HydrophobicContact CD1-CG1 4.12Å; I138-I167 HydrophobicContact CG1-CG1 3.75Å; I138-I167 HydrophobicContact CG2-CG1 4Å; I138-A170 HydrophobicContact CG2-CB 4.14Å; I138-F172 HydrophobicContact CG2-CD2 4.23Å; I138-F172 HydrophobicContact CG2-CE2 4.21Å
139	D	91.3	Very high	88.9	Confident	111 Å²	111	63.4 Å²	63.4	59%	0.594	30%	0.302	S	S	*	.	H	α-helix	trans	-64.9	-24.7	179.4	-75.5	-21.7	0	0	0	112.8	T135 E136 M137 R144	T135-D139 PolarHBondContact O-N 3.34Å; E136-D139 PolarHBondContact O-N 2.96Å; M137-D139 VanDerWaalsContact C-N 3.26Å; M137-D139 PolarHBondContact O-N 3.02Å; D139-R144 PolarHBondContact O-NH1 3.46Å
140	H	91	Very high	89.6	Confident	101 Å²	101	56 Å²	56	47%	0.468	27%	0.267	S	S	.	.	S	Bend	trans	-97.5	126.7	-177.8	-64.1	-83.7	0	0	0	113.5	E136 M137 I138 T142 W143 R144	E136-H140 PolarHBondContact O-CD2 3.32Å; E136-H140 VanDerWaalsContact O-CD2 3.3Å; M137-H140 PolarHBondContact O-N 3.39Å; I138-H140 PolarHBondContact O-N 3.17Å; H140-T142 VanDerWaalsContact C-N 3.32Å; H140-T142 PolarHBondContact O-N 3.45Å; H140-W143 HydrophobicContact CB-CG 4.36Å; H140-W143 PolarHBondContact O-N 3.44Å; H140-R144 PolarHBondContact O-N 3.45Å; H140-R144 VanDerWaalsContact O-N 3.09Å
141	Y	89.9	Confident	90	Very high	146 Å²	146	53.6 Å²	53.6	57%	0.573	25%	0.253	S	S	*	.	H	α-helix	trans	-55.5	-41.2	177.8	176.7	-99.2	0	0	0	113.6	W143 R144 S145 E175	Y141-W143 VanDerWaalsContact C-N 3.28Å; Y141-W143 PolarHBondContact O-N 3.5Å; Y141-R144 PolarHBondContact O-N 3.49Å; Y141-S145 WeakPolarHBondContact O-CB 3.47Å; Y141-S145 PolarHBondContact O-N 2.99Å; Y141-E175 VanDerWaalsContact CD2-OE2 3.31Å; Y141-E175 WeakPolarHBondContact CD2-OE2 3.33Å
142	T	89.5	Confident	90.1	Very high	35 Å²	35	57.7 Å²	57.7	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-43.3	-179.3	-52.8	0	0	0	0	111.9	E104 H140 L146	E104-T142 HydrophobicContact CB-CG2 4.3Å; E104-T142 PolarHBondContact OE2-OG1 3.31Å; H140-T142 VanDerWaalsContact C-N 3.32Å; H140-T142 PolarHBondContact O-N 3.45Å; T142-L146 PolarHBondContact O-N 3.15Å; T142-L146 VanDerWaalsContact O-N 3.16Å
143	W	92.9	Very high	90.2	Very high	38 Å²	38	56.7 Å²	56.7	14%	0.144	26%	0.263	C	S	.	.	H	α-helix	trans	-79.4	-38.7	-178.6	-55.3	136	0	0	0	112.1	E104 L107 K108 I111 M137 H140 Y141 S145 L146 I147	E104-W143 HydrophobicContact CB-CH2 4.25Å; E104-W143 HydrophobicContact CB-CZ2 4.41Å; E104-W143 HydrophobicContact CG-CH2 4.32Å; E104-W143 HydrophobicContact CG-CZ2 4.02Å; L107-W143 HydrophobicContact CB-CH2 4.15Å; L107-W143 HydrophobicContact CD1-CH2 4.47Å; K108-W143 HydrophobicContact CB-CZ3 4.43Å; I111-W143 HydrophobicContact CD1-CZ3 4.48Å; M137-W143 HydrophobicContact CB-CB 4.23Å; M137-W143 HydrophobicContact CE-CB 3.91Å; M137-W143 HydrophobicContact CE-CD2 4.31Å; M137-W143 HydrophobicContact CE-CE3 4.46Å; M137-W143 HydrophobicContact CE-CG 4.07Å; M137-W143 HydrophobicContact CG-CG 4.45Å; M137-W143 WeakPolarHBondContact O-CB 3.46Å; H140-W143 HydrophobicContact CB-CG 4.36Å; H140-W143 PolarHBondContact O-N 3.44Å; Y141-W143 VanDerWaalsContact C-N 3.28Å; Y141-W143 PolarHBondContact O-N 3.5Å; W143-S145 VanDerWaalsContact C-N 3.27Å; W143-S145 PolarHBondContact O-N 3.39Å; W143-L146 HydrophobicContact CE3-CD2 3.84Å; W143-L146 HydrophobicContact CZ3-CD2 4.15Å; W143-L146 WeakPolarHBondContact O-CA 3.43Å; W143-L146 WeakPolarHBondContact O-CB 3.48Å; W143-L146 PolarHBondContact O-N 3.49Å; W143-I147 WeakPolarHBondContact O-CG1 3.41Å; W143-I147 PolarHBondContact O-N 2.88Å
144	R	91.9	Very high	90.1	Very high	13 Å²	13	55.6 Å²	55.6	5%	0.049	26%	0.259	C	S	.	.	H	α-helix	trans	-54.6	-45.5	168.9	-66.8	-164.8	-62.5	-88	8.9	111.6	I138 D139 H140 Y141 L146 I147 Y148 I167 E175	I138-R144 VanDerWaalsContact O-CD 3.23Å; I138-R144 WeakPolarHBondContact O-CD 3.3Å; I138-R144 VanDerWaalsContact O-CG 3.26Å; I138-R144 WeakPolarHBondContact O-CG 3.41Å; I138-R144 PolarHBondContact O-NH1 2.86Å; D139-R144 PolarHBondContact O-NH1 3.46Å; H140-R144 PolarHBondContact O-N 3.45Å; H140-R144 VanDerWaalsContact O-N 3.09Å; Y141-R144 PolarHBondContact O-N 3.49Å; R144-L146 VanDerWaalsContact C-N 3.3Å; R144-L146 PolarHBondContact O-N 3.36Å; R144-I147 PolarHBondContact O-N 3.14Å; R144-I147 VanDerWaalsContact O-N 3.16Å; R144-Y148 HydrophobicContact CB-CE2 4.25Å; R144-Y148 WeakPolarHBondContact O-CD2 3.32Å; R144-Y148 VanDerWaalsContact O-CG 3.26Å; R144-Y148 PolarHBondContact O-N 3.05Å; R144-I167 HydrophobicContact CB-CD1 4.43Å; R144-I167 HydrophobicContact CG-CD1 4.22Å; R144-I167 HydrophobicContact CG-CG1 4.32Å; R144-I167 HydrophobicContact CG-CG2 4.45Å; R144-E175 IonicContact CZ-OE1 2.89Å; R144-E175 IonicContact CZ-OE2 3.48Å; R144-E175 IonicContact NE-OE1 2.71Å; R144-E175 IonicContact NE-OE2 2.79Å; R144-E175 PolarHBondContact NE-OE2 3.46Å; R144-E175 IonicContact NH2-OE1 3.11Å; R144-E175 PolarHBondContact NH2-OE1 3.13Å; R144-E175 IonicContact NH2-OE2 3.01Å; R144-E175 PolarHBondContact NH2-OE2 2.79Å
145	S	89.9	Confident	89.8	Confident	19 Å²	19	57.9 Å²	57.9	13%	0.133	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-35.8	175	173.8	0	0	0	0	113.2	K108 Y141 W143 R149	K108-S145 PolarHBondContact NZ-OG 3.02Å; Y141-S145 WeakPolarHBondContact O-CB 3.47Å; Y141-S145 PolarHBondContact O-N 2.99Å; W143-S145 VanDerWaalsContact C-N 3.27Å; W143-S145 PolarHBondContact O-N 3.39Å; S145-R149 PolarHBondContact O-N 3.26Å
146	L	92	Very high	89.7	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-46.9	173.1	170.8	61.1	0	0	0	111.2	K108 I111 L112 T142 W143 R144 Y148 R149 L150	K108-L146 HydrophobicContact CG-CB 4.14Å; K108-L146 HydrophobicContact CG-CD1 3.91Å; K108-L146 HydrophobicContact CG-CD2 4.47Å; K108-L146 HydrophobicContact CG-CG 4.39Å; I111-L146 HydrophobicContact CB-CD1 4.4Å; I111-L146 HydrophobicContact CB-CD2 4.09Å; I111-L146 HydrophobicContact CD1-CD2 3.62Å; I111-L146 HydrophobicContact CG1-CD2 4.47Å; I111-L146 HydrophobicContact CG2-CD1 4.2Å; I111-L146 HydrophobicContact CG2-CD2 3.96Å; I111-L146 HydrophobicContact CG2-CG 4.49Å; L112-L146 HydrophobicContact CD1-CD1 4.32Å; L112-L146 HydrophobicContact CD2-CD1 3.63Å; L112-L146 HydrophobicContact CG-CD1 3.59Å; T142-L146 PolarHBondContact O-N 3.15Å; T142-L146 VanDerWaalsContact O-N 3.16Å; W143-L146 HydrophobicContact CE3-CD2 3.84Å; W143-L146 HydrophobicContact CZ3-CD2 4.15Å; W143-L146 WeakPolarHBondContact O-CA 3.43Å; W143-L146 WeakPolarHBondContact O-CB 3.48Å; W143-L146 PolarHBondContact O-N 3.49Å; R144-L146 VanDerWaalsContact C-N 3.3Å; R144-L146 PolarHBondContact O-N 3.36Å; L146-Y148 VanDerWaalsContact C-N 3.29Å; L146-Y148 PolarHBondContact O-N 2.83Å; L146-R149 PolarHBondContact O-N 2.86Å; L146-R149 VanDerWaalsContact O-N 3.16Å; L146-L150 HydrophobicContact CD1-CD1 3.98Å; L146-L150 HydrophobicContact CD1-CG 4.04Å; L146-L150 HydrophobicContact CG-CD1 4.02Å; L146-L150 HydrophobicContact CG-CG 4.49Å; L146-L150 WeakPolarHBondContact O-CG 3.49Å; L146-L150 PolarHBondContact O-N 2.91Å
147	I	91.3	Very high	89.6	Confident	11 Å²	11	55.1 Å²	55.1	6%	0.056	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-41.3	177.8	-61.9	-58.2	0	0	0	111.1	W143 R144 R149 L150 A151 L160 T163 I164 I167	W143-I147 WeakPolarHBondContact O-CG1 3.41Å; W143-I147 PolarHBondContact O-N 2.88Å; R144-I147 PolarHBondContact O-N 3.14Å; R144-I147 VanDerWaalsContact O-N 3.16Å; I147-R149 PolarHBondContact O-N 3.12Å; I147-L150 PolarHBondContact O-N 3.03Å; I147-A151 WeakPolarHBondContact O-CB 3.44Å; I147-A151 PolarHBondContact O-N 2.97Å; I147-L160 HydrophobicContact CD1-CD2 4.08Å; I147-L160 HydrophobicContact CG2-CD2 4.27Å; I147-T163 HydrophobicContact CD1-CG2 4.3Å; I147-T163 HydrophobicContact CG1-CG2 4.08Å; I147-T163 HydrophobicContact CG2-CG2 3.81Å; I147-I164 HydrophobicContact CG2-CD1 3.82Å; I147-I164 HydrophobicContact CG2-CG1 4.26Å; I147-I167 HydrophobicContact CB-CD1 4.15Å; I147-I167 HydrophobicContact CG2-CD1 3.92Å
148	Y	88.8	Confident	89.3	Confident	18 Å²	18	58.6 Å²	58.6	7%	0.071	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-45.6	175.5	-59.1	-31.6	0	0	0	112.6	R144 L146 A151 E152 I164 I167 E175 I176	R144-Y148 HydrophobicContact CB-CE2 4.25Å; R144-Y148 WeakPolarHBondContact O-CD2 3.32Å; R144-Y148 VanDerWaalsContact O-CG 3.26Å; R144-Y148 PolarHBondContact O-N 3.05Å; L146-Y148 VanDerWaalsContact C-N 3.29Å; L146-Y148 PolarHBondContact O-N 2.83Å; Y148-A151 PolarHBondContact O-N 3.2Å; Y148-E152 WeakPolarHBondContact O-CG 3.41Å; Y148-E152 PolarHBondContact O-N 3.46Å; Y148-E152 VanDerWaalsContact O-N 3.08Å; Y148-I164 HydrophobicContact CD1-CD1 3.42Å; Y148-I164 VanDerWaalsContact CD1-CD1 3.42Å; Y148-I164 HydrophobicContact CE1-CD1 3.72Å; Y148-I167 HydrophobicContact CE1-CD1 4.13Å; Y148-I167 HydrophobicContact CE1-CG2 4.14Å; Y148-I167 VanDerWaalsContact OH-CG2 3.22Å; Y148-I167 WeakPolarHBondContact OH-CG2 3.25Å; Y148-E175 HydrophobicContact CE2-CB 3.91Å; Y148-I176 HydrophobicContact CD1-CG1 4.49Å; Y148-I176 HydrophobicContact CE1-CD1 4.47Å; Y148-I176 HydrophobicContact CE1-CG1 3.66Å
149	R	88.5	Confident	89.2	Confident	119 Å²	119	58.5 Å²	58.5	45%	0.449	28%	0.279	S	S	.	.	H	α-helix	trans	-65.2	-43.2	178	-71	-176.5	-175.1	-179.8	0.7	112.2	L112 S145 L146 I147 A151 E152 E153	L112-R149 HydrophobicContact CD2-CB 3.89Å; S145-R149 PolarHBondContact O-N 3.26Å; L146-R149 PolarHBondContact O-N 2.86Å; L146-R149 VanDerWaalsContact O-N 3.16Å; I147-R149 PolarHBondContact O-N 3.12Å; R149-A151 VanDerWaalsContact C-N 3.31Å; R149-A151 PolarHBondContact O-N 3.48Å; R149-E152 WeakPolarHBondContact O-CB 3.44Å; R149-E152 PolarHBondContact O-N 3.47Å; R149-E153 PolarHBondContact O-N 3.31Å; R149-E153 VanDerWaalsContact O-N 3.08Å
150	L	91.3	Very high	89.1	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-39.9	176.9	-72.4	173	0	0	0	111.5	I111 L112 F115 L146 I147 E152 E153 Y154 L160	I111-L150 HydrophobicContact CG2-CD1 4.05Å; L112-L150 HydrophobicContact CD2-CD2 3.81Å; L112-L150 HydrophobicContact CD2-CG 4.03Å; F115-L150 HydrophobicContact CB-CD2 3.63Å; F115-L150 HydrophobicContact CD1-CD2 3.86Å; F115-L150 HydrophobicContact CD2-CD1 3.78Å; F115-L150 HydrophobicContact CD2-CD2 4.04Å; F115-L150 HydrophobicContact CE2-CD1 3.95Å; F115-L150 HydrophobicContact CG-CD1 4.19Å; F115-L150 HydrophobicContact CG-CD2 3.57Å; F115-L150 HydrophobicContact CG-CG 4.48Å; F115-L150 HydrophobicContact CZ-CD1 4.5Å; L146-L150 HydrophobicContact CD1-CD1 3.98Å; L146-L150 HydrophobicContact CD1-CG 4.04Å; L146-L150 HydrophobicContact CG-CD1 4.02Å; L146-L150 HydrophobicContact CG-CG 4.49Å; L146-L150 WeakPolarHBondContact O-CG 3.49Å; L146-L150 PolarHBondContact O-N 2.91Å; I147-L150 PolarHBondContact O-N 3.03Å; L150-E152 VanDerWaalsContact C-N 3.29Å; L150-E152 PolarHBondContact O-N 3.46Å; L150-E153 PolarHBondContact O-N 3.28Å; L150-Y154 HydrophobicContact CD2-CD2 4.32Å; L150-Y154 HydrophobicContact CD2-CE2 4.24Å; L150-Y154 WeakPolarHBondContact O-CB 3.33Å; L150-Y154 WeakPolarHBondContact O-CD2 3.2Å; L150-Y154 PolarHBondContact O-N 3.48Å; L150-L160 HydrophobicContact CB-CD1 3.68Å; L150-L160 HydrophobicContact CB-CD2 3.81Å; L150-L160 HydrophobicContact CB-CG 4.44Å; L150-L160 HydrophobicContact CD1-CD2 4.22Å; L150-L160 WeakPolarHBondContact O-CD1 3.28Å
151	A	88.4	Confident	88.8	Confident	4 Å²	4	49.4 Å²	49.4	3%	0.033	23%	0.234	C	C	.	.	H	α-helix	trans	-69.8	-26.5	179	0	0	0	0	0	112.7	I147 Y148 R149 P155 L160 I164 T181	I147-A151 WeakPolarHBondContact O-CB 3.44Å; I147-A151 PolarHBondContact O-N 2.97Å; Y148-A151 PolarHBondContact O-N 3.2Å; R149-A151 VanDerWaalsContact C-N 3.31Å; R149-A151 PolarHBondContact O-N 3.48Å; A151-P155 WeakPolarHBondContact O-CA 3.39Å; A151-L160 HydrophobicContact CB-CB 4.27Å; A151-I164 HydrophobicContact CB-CD1 4.24Å; A151-I164 HydrophobicContact CB-CG1 4.12Å; A151-T181 HydrophobicContact CB-CG2 3.59Å
152	E	86.2	Confident	88.6	Confident	95 Å²	95	45.9 Å²	45.9	44%	0.444	22%	0.222	S	C	.	.	H	α-helix	trans	-70.3	-43.4	169.5	-73.5	175.1	-176.8	0	0	112.2	Y148 R149 L150 S178 T181	Y148-E152 WeakPolarHBondContact O-CG 3.41Å; Y148-E152 PolarHBondContact O-N 3.46Å; Y148-E152 VanDerWaalsContact O-N 3.08Å; R149-E152 WeakPolarHBondContact O-CB 3.44Å; R149-E152 PolarHBondContact O-N 3.47Å; L150-E152 VanDerWaalsContact C-N 3.29Å; L150-E152 PolarHBondContact O-N 3.46Å; E152-S178 WeakPolarHBondContact CG-OG 3.5Å; E152-S178 WeakPolarHBondContact OE1-CB 3.34Å; E152-S178 PolarHBondContact OE1-OG 3.04Å; E152-T181 WeakPolarHBondContact CG-OG1 3.46Å
153	E	88.5	Confident	88.6	Confident	114 Å²	114	44.2 Å²	44.2	53%	0.533	21%	0.211	S	C	.	.	H	α-helix	trans	-73.9	-34.9	-179.9	-70.9	-173.9	169.1	0	0	112.7	R149 L150 P155	R149-E153 PolarHBondContact O-N 3.31Å; R149-E153 VanDerWaalsContact O-N 3.08Å; L150-E153 PolarHBondContact O-N 3.28Å; E153-P155 VanDerWaalsContact C-CD 3.49Å; E153-P155 WeakPolarHBondContact O-CD 3.2Å
154	Y	89.2	Confident	88.4	Confident	74 Å²	74	42.4 Å²	42.4	29%	0.29	21%	0.205	S	C	.	.			trans	-126.2	68.1	-175.7	-55.2	-77.4	0	0	0	111.5	F115 P117 L150 D156 C157	F115-Y154 HydrophobicContact CB-CE2 4.43Å; F115-Y154 AromaticContact CD1-CD2 3.64Å; F115-Y154 HydrophobicContact CD1-CD2 3.64Å; F115-Y154 AromaticContact CD1-CE2 3.73Å; F115-Y154 HydrophobicContact CD1-CE2 3.73Å; F115-Y154 HydrophobicContact CD1-CG 4.29Å; F115-Y154 HydrophobicContact CE1-CD2 4.03Å; F115-Y154 HydrophobicContact CE1-CG 4.38Å; P117-Y154 HydrophobicContact CB-CD1 4.21Å; P117-Y154 HydrophobicContact CB-CG 4.34Å; P117-Y154 HydrophobicContact CG-CD1 3.71Å; P117-Y154 HydrophobicContact CG-CE1 4.13Å; P117-Y154 HydrophobicContact CG-CG 4.31Å; L150-Y154 HydrophobicContact CD2-CD2 4.32Å; L150-Y154 HydrophobicContact CD2-CE2 4.24Å; L150-Y154 WeakPolarHBondContact O-CB 3.33Å; L150-Y154 WeakPolarHBondContact O-CD2 3.2Å; L150-Y154 PolarHBondContact O-N 3.48Å; Y154-D156 PolarHBondContact O-N 2.94Å; Y154-C157 VanDerWaalsContact O-CB 3.29Å; Y154-C157 WeakPolarHBondContact O-CB 3.4Å; Y154-C157 PolarHBondContact O-N 2.91Å
155	P	83	Confident	88.1	Confident	50 Å²	50	45 Å²	45	33%	0.325	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.9	-173	26.1	-35.8	0	0	0	114.2	A151 E153 C157 N161	A151-P155 WeakPolarHBondContact O-CA 3.39Å; E153-P155 VanDerWaalsContact C-CD 3.49Å; E153-P155 WeakPolarHBondContact O-CD 3.2Å; P155-C157 VanDerWaalsContact C-N 3.34Å; P155-N161 PolarHBondContact O-ND2 2.92Å
156	D	86.6	Confident	88	Confident	144 Å²	144	45.9 Å²	45.9	77%	0.77	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.9	-179.2	-62.3	-40.5	0	0	0	113.5	Y154 L158	Y154-D156 PolarHBondContact O-N 2.94Å; D156-L158 PolarHBondContact O-N 3.2Å
157	C	88.6	Confident	87.9	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.02	22%	0.219	C	C	.	.			trans	-70	119.3	-178.8	-177.4	0	0	0	0	110.8	P117 D121 Y154 P155 L160 N161	P117-C157 HydrophobicContact CB-CB 4.01Å; D121-C157 PolarHBondContact OD1-SG 3.13Å; D121-C157 VanDerWaalsContact OD1-SG 3.39Å; Y154-C157 VanDerWaalsContact O-CB 3.29Å; Y154-C157 WeakPolarHBondContact O-CB 3.4Å; Y154-C157 PolarHBondContact O-N 2.91Å; P155-C157 VanDerWaalsContact C-N 3.34Å; C157-L160 HydrophobicContact CB-CB 4.04Å; C157-L160 HydrophobicContact CB-CD1 3.73Å; C157-L160 HydrophobicContact CB-CG 3.99Å; C157-L160 VanDerWaalsContact SG-CG 3.6Å; C157-N161 WeakPolarHBondContact O-CB 3.36Å; C157-N161 PolarHBondContact O-N 3.35Å; C157-N161 VanDerWaalsContact O-N 3.1Å; C157-N161 PolarHBondContact O-ND2 3.13Å
158	L	85.3	Confident	87.6	Confident	119 Å²	119	45.4 Å²	45.4	62%	0.623	22%	0.217	S	C	*	.	H	α-helix	trans	-67.3	-42.1	-176.5	-64.7	173.5	0	0	0	111.5	D121 D156 L160 N161 F162	D121-L158 WeakPolarHBondContact OD1-CA 3.35Å; D121-L158 WeakPolarHBondContact OD1-CB 3.41Å; D121-L158 PolarHBondContact OD1-N 3.16Å; D121-L158 PolarHBondContact OD2-N 2.97Å; D156-L158 PolarHBondContact O-N 3.2Å; L158-L160 PolarHBondContact O-N 3.47Å; L158-N161 PolarHBondContact O-N 2.88Å; L158-F162 WeakPolarHBondContact O-CB 3.18Å; L158-F162 PolarHBondContact O-N 2.88Å
159	M	88.8	Confident	87.5	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.049	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-46.2	178.7	179.3	-79.4	-135.7	0	0	111.3	A120 D121 F124 W133 F162 T163	A120-M159 HydrophobicContact CB-CB 4.32Å; A120-M159 HydrophobicContact CB-CE 4.35Å; A120-M159 HydrophobicContact CB-CG 4.45Å; D121-M159 PolarHBondContact OD1-N 2.87Å; F124-M159 HydrophobicContact CD2-CB 3.93Å; F124-M159 HydrophobicContact CD2-CG 3.49Å; F124-M159 VanDerWaalsContact CD2-CG 3.49Å; F124-M159 HydrophobicContact CE2-CB 4.47Å; F124-M159 HydrophobicContact CE2-CG 3.71Å; W133-M159 HydrophobicContact CH2-CE 3.83Å; M159-F162 PolarHBondContact O-N 3.24Å; M159-T163 WeakPolarHBondContact O-CB 2.9Å; M159-T163 PolarHBondContact O-N 3.34Å; M159-T163 PolarHBondContact O-OG1 3.22Å
160	L	89.8	Confident	87.6	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-46	179.1	-68.3	175	0	0	0	110.7	F115 I147 L150 A151 C157 L158 F162 T163 I164	F115-L160 HydrophobicContact CE1-CD1 3.75Å; F115-L160 HydrophobicContact CE1-CG 4.36Å; F115-L160 HydrophobicContact CE2-CD2 4.48Å; F115-L160 HydrophobicContact CZ-CD1 3.81Å; F115-L160 HydrophobicContact CZ-CD2 4.02Å; F115-L160 HydrophobicContact CZ-CG 3.92Å; I147-L160 HydrophobicContact CD1-CD2 4.08Å; I147-L160 HydrophobicContact CG2-CD2 4.27Å; L150-L160 HydrophobicContact CB-CD1 3.68Å; L150-L160 HydrophobicContact CB-CD2 3.81Å; L150-L160 HydrophobicContact CB-CG 4.44Å; L150-L160 HydrophobicContact CD1-CD2 4.22Å; L150-L160 WeakPolarHBondContact O-CD1 3.28Å; A151-L160 HydrophobicContact CB-CB 4.27Å; C157-L160 HydrophobicContact CB-CB 4.04Å; C157-L160 HydrophobicContact CB-CD1 3.73Å; C157-L160 HydrophobicContact CB-CG 3.99Å; C157-L160 VanDerWaalsContact SG-CG 3.6Å; L158-L160 PolarHBondContact O-N 3.47Å; L160-F162 VanDerWaalsContact C-N 3.31Å; L160-F162 PolarHBondContact O-N 2.8Å; L160-T163 WeakPolarHBondContact O-CB 3.42Å; L160-T163 PolarHBondContact O-N 3.17Å; L160-T163 VanDerWaalsContact O-N 3.13Å; L160-I164 VanDerWaalsContact O-CG1 3.26Å; L160-I164 WeakPolarHBondContact O-CG1 3.38Å; L160-I164 PolarHBondContact O-N 3.34Å
161	N	85.1	Confident	87.3	Confident	20 Å²	20	47.2 Å²	47.2	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-43.3	176.4	-83.4	-47.5	0	0	0	112.8	P155 C157 L158 I164 K165	P155-N161 PolarHBondContact O-ND2 2.92Å; C157-N161 WeakPolarHBondContact O-CB 3.36Å; C157-N161 PolarHBondContact O-N 3.35Å; C157-N161 VanDerWaalsContact O-N 3.1Å; C157-N161 PolarHBondContact O-ND2 3.13Å; L158-N161 PolarHBondContact O-N 2.88Å; N161-I164 PolarHBondContact O-N 3.03Å; N161-K165 PolarHBondContact O-N 2.9Å
162	F	85.9	Confident	87.2	Confident	71 Å²	71	49.5 Å²	49.5	31%	0.311	26%	0.263	S	S	.	.	H	α-helix	trans	-66.1	-41.9	174.7	-179.2	-96.6	0	0	0	112	F124 T130 L158 M159 L160 I164 K165 L166	F124-F162 HydrophobicContact CD1-CD1 4.23Å; F124-F162 HydrophobicContact CD1-CE1 4.49Å; F124-F162 HydrophobicContact CE1-CB 4.5Å; F124-F162 AromaticContact CE1-CD1 3.15Å; F124-F162 HydrophobicContact CE1-CD1 3.15Å; F124-F162 HydrophobicContact CE1-CD2 4.47Å; F124-F162 AromaticContact CE1-CE1 3.24Å; F124-F162 HydrophobicContact CE1-CE1 3.24Å; F124-F162 AromaticContact CE1-CG 3.81Å; F124-F162 HydrophobicContact CE1-CG 3.81Å; F124-F162 AromaticContact CE1-CZ 3.99Å; F124-F162 HydrophobicContact CE1-CZ 3.99Å; F124-F162 HydrophobicContact CE2-CD1 4.21Å; F124-F162 AromaticContact CZ-CD1 3.15Å; F124-F162 HydrophobicContact CZ-CD1 3.15Å; F124-F162 AromaticContact CZ-CE1 3.35Å; F124-F162 HydrophobicContact CZ-CE1 3.35Å; F124-F162 HydrophobicContact CZ-CG 4.13Å; F124-F162 HydrophobicContact CZ-CZ 4.48Å; T130-F162 HydrophobicContact CG2-CE1 4.3Å; L158-F162 WeakPolarHBondContact O-CB 3.18Å; L158-F162 PolarHBondContact O-N 2.88Å; M159-F162 PolarHBondContact O-N 3.24Å; L160-F162 VanDerWaalsContact C-N 3.31Å; L160-F162 PolarHBondContact O-N 2.8Å; F162-I164 VanDerWaalsContact C-N 3.34Å; F162-I164 PolarHBondContact O-N 3.16Å; F162-K165 WeakPolarHBondContact O-CA 3.42Å; F162-K165 VanDerWaalsContact O-CB 3.3Å; F162-K165 WeakPolarHBondContact O-CB 3.41Å; F162-K165 PolarHBondContact O-N 3.36Å; F162-K165 VanDerWaalsContact O-N 3.09Å; F162-L166 HydrophobicContact CD1-CD1 3.9Å; F162-L166 HydrophobicContact CD1-CG 4.12Å; F162-L166 HydrophobicContact CE1-CD1 3.42Å; F162-L166 VanDerWaalsContact CE1-CD1 3.42Å; F162-L166 HydrophobicContact CE1-CD2 4.12Å; F162-L166 HydrophobicContact CE1-CG 3.73Å; F162-L166 HydrophobicContact CZ-CD1 4.21Å; F162-L166 HydrophobicContact CZ-CD2 4.07Å; F162-L166 HydrophobicContact CZ-CG 4.14Å; F162-L166 PolarHBondContact O-N 2.92Å
163	T	88.8	Confident	86.8	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-41.3	177	-55.4	0	0	0	0	111.4	L134 I138 I147 M159 L160 K165 L166 I167	L134-T163 HydrophobicContact CD1-CG2 3.72Å; L134-T163 HydrophobicContact CD2-CG2 4.41Å; L134-T163 HydrophobicContact CG-CG2 4.29Å; I138-T163 HydrophobicContact CD1-CG2 4.3Å; I138-T163 HydrophobicContact CG1-CG2 4.39Å; I147-T163 HydrophobicContact CD1-CG2 4.3Å; I147-T163 HydrophobicContact CG1-CG2 4.08Å; I147-T163 HydrophobicContact CG2-CG2 3.81Å; M159-T163 WeakPolarHBondContact O-CB 2.9Å; M159-T163 PolarHBondContact O-N 3.34Å; M159-T163 PolarHBondContact O-OG1 3.22Å; L160-T163 WeakPolarHBondContact O-CB 3.42Å; L160-T163 PolarHBondContact O-N 3.17Å; L160-T163 VanDerWaalsContact O-N 3.13Å; T163-K165 VanDerWaalsContact C-N 3.26Å; T163-K165 PolarHBondContact O-N 3.09Å; T163-L166 WeakPolarHBondContact O-CB 3.33Å; T163-L166 PolarHBondContact O-N 3.3Å; T163-L166 VanDerWaalsContact O-N 3.15Å; T163-I167 HydrophobicContact CG2-CD1 4.06Å; T163-I167 HydrophobicContact CG2-CG1 4.42Å; T163-I167 VanDerWaalsContact O-CG1 3.28Å; T163-I167 WeakPolarHBondContact O-CG1 3.26Å; T163-I167 PolarHBondContact O-N 2.95Å
164	I	87.9	Confident	86.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-39.7	174	-66.6	-68.2	0	0	0	111.1	I147 Y148 A151 L160 N161 F162 I167 S168 I176 T181 V188	I147-I164 HydrophobicContact CG2-CD1 3.82Å; I147-I164 HydrophobicContact CG2-CG1 4.26Å; Y148-I164 HydrophobicContact CD1-CD1 3.42Å; Y148-I164 VanDerWaalsContact CD1-CD1 3.42Å; Y148-I164 HydrophobicContact CE1-CD1 3.72Å; A151-I164 HydrophobicContact CB-CD1 4.24Å; A151-I164 HydrophobicContact CB-CG1 4.12Å; L160-I164 VanDerWaalsContact O-CG1 3.26Å; L160-I164 WeakPolarHBondContact O-CG1 3.38Å; L160-I164 PolarHBondContact O-N 3.34Å; N161-I164 PolarHBondContact O-N 3.03Å; F162-I164 VanDerWaalsContact C-N 3.34Å; F162-I164 PolarHBondContact O-N 3.16Å; I164-I167 PolarHBondContact O-N 2.74Å; I164-S168 PolarHBondContact O-N 3.28Å; I164-I176 HydrophobicContact CG2-CD1 4.22Å; I164-T181 HydrophobicContact CD1-CG2 3.61Å; I164-T181 HydrophobicContact CG1-CG2 3.74Å; I164-T181 HydrophobicContact CG2-CG2 4.18Å; I164-V188 HydrophobicContact CG2-CG1 4.12Å; I164-V188 HydrophobicContact CG2-CG2 4.21Å
165	K	85.1	Confident	85.7	Confident	68 Å²	68	44.4 Å²	44.4	30%	0.296	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-46.9	173.9	-179.2	176	172.3	157.3	0	111.5	N161 F162 T163 I167 S168 D169 E187	N161-K165 PolarHBondContact O-N 2.9Å; F162-K165 WeakPolarHBondContact O-CA 3.42Å; F162-K165 VanDerWaalsContact O-CB 3.3Å; F162-K165 WeakPolarHBondContact O-CB 3.41Å; F162-K165 PolarHBondContact O-N 3.36Å; F162-K165 VanDerWaalsContact O-N 3.09Å; T163-K165 VanDerWaalsContact C-N 3.26Å; T163-K165 PolarHBondContact O-N 3.09Å; K165-I167 PolarHBondContact O-N 3.24Å; K165-S168 CarbonylContact O-C 3.57Å; K165-S168 WeakPolarHBondContact O-CA 3.22Å; K165-S168 WeakPolarHBondContact O-CB 3.23Å; K165-S168 PolarHBondContact O-N 3.3Å; K165-S168 VanDerWaalsContact O-N 3.12Å; K165-D169 PolarHBondContact O-N 2.56Å; K165-E187 WeakPolarHBondContact CE-OE2 3.42Å; K165-E187 IonicContact NZ-OE1 3.4Å; K165-E187 IonicContact NZ-OE2 3.54Å; K165-E187 PolarHBondContact NZ-OE2 2.77Å
166	L	88.2	Confident	85.2	Confident	38 Å²	38	42.5 Å²	42.5	20%	0.199	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-43.5	176	-68.9	-179.3	0	0	0	112.6	T130 L134 I138 F162 T163 S168 D169 A170	T130-L166 HydrophobicContact CG2-CD1 3.62Å; L134-L166 HydrophobicContact CD2-CD1 3.99Å; I138-L166 HydrophobicContact CD1-CB 3.57Å; I138-L166 HydrophobicContact CD1-CD1 4.07Å; F162-L166 HydrophobicContact CD1-CD1 3.9Å; F162-L166 HydrophobicContact CD1-CG 4.12Å; F162-L166 HydrophobicContact CE1-CD1 3.42Å; F162-L166 VanDerWaalsContact CE1-CD1 3.42Å; F162-L166 HydrophobicContact CE1-CD2 4.12Å; F162-L166 HydrophobicContact CE1-CG 3.73Å; F162-L166 HydrophobicContact CZ-CD1 4.21Å; F162-L166 HydrophobicContact CZ-CD2 4.07Å; F162-L166 HydrophobicContact CZ-CG 4.14Å; F162-L166 PolarHBondContact O-N 2.92Å; T163-L166 WeakPolarHBondContact O-CB 3.33Å; T163-L166 PolarHBondContact O-N 3.3Å; T163-L166 VanDerWaalsContact O-N 3.15Å; L166-S168 PolarHBondContact O-N 3.45Å; L166-D169 PolarHBondContact O-N 3.16Å; L166-D169 VanDerWaalsContact O-N 3.11Å; L166-A170 WeakPolarHBondContact O-CB 3.09Å; L166-A170 PolarHBondContact O-N 2.87Å
167	I	89.6	Confident	84.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.3	-41.1	174.9	-69.8	168.7	0	0	0	110.6	I138 R144 I147 Y148 T163 I164 K165 G171 F172	I138-I167 HydrophobicContact CB-CG1 4.43Å; I138-I167 HydrophobicContact CD1-CG1 4.12Å; I138-I167 HydrophobicContact CG1-CG1 3.75Å; I138-I167 HydrophobicContact CG2-CG1 4Å; R144-I167 HydrophobicContact CB-CD1 4.43Å; R144-I167 HydrophobicContact CG-CD1 4.22Å; R144-I167 HydrophobicContact CG-CG1 4.32Å; R144-I167 HydrophobicContact CG-CG2 4.45Å; I147-I167 HydrophobicContact CB-CD1 4.15Å; I147-I167 HydrophobicContact CG2-CD1 3.92Å; Y148-I167 HydrophobicContact CE1-CD1 4.13Å; Y148-I167 HydrophobicContact CE1-CG2 4.14Å; Y148-I167 VanDerWaalsContact OH-CG2 3.22Å; Y148-I167 WeakPolarHBondContact OH-CG2 3.25Å; T163-I167 HydrophobicContact CG2-CD1 4.06Å; T163-I167 HydrophobicContact CG2-CG1 4.42Å; T163-I167 VanDerWaalsContact O-CG1 3.28Å; T163-I167 WeakPolarHBondContact O-CG1 3.26Å; T163-I167 PolarHBondContact O-N 2.95Å; I164-I167 PolarHBondContact O-N 2.74Å; K165-I167 PolarHBondContact O-N 3.24Å; I167-G171 PolarHBondContact O-N 3.23Å; I167-F172 HydrophobicContact CG2-CB 3.79Å; I167-F172 PolarHBondContact O-N 3.34Å; I167-F172 VanDerWaalsContact O-N 3.16Å
168	S	85.6	Confident	83.4	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.014	24%	0.244	C	C	.	.	H	α-helix	trans	-69	-36.5	175.6	-175.4	0	0	0	0	113	I164 K165 L166 A170 G171 Q173 R191	I164-S168 PolarHBondContact O-N 3.28Å; K165-S168 CarbonylContact O-C 3.57Å; K165-S168 WeakPolarHBondContact O-CA 3.22Å; K165-S168 WeakPolarHBondContact O-CB 3.23Å; K165-S168 PolarHBondContact O-N 3.3Å; K165-S168 VanDerWaalsContact O-N 3.12Å; L166-S168 PolarHBondContact O-N 3.45Å; S168-A170 VanDerWaalsContact C-N 3.34Å; S168-G171 PolarHBondContact O-N 3.37Å; S168-Q173 PolarHBondContact O-OE1 2.85Å; S168-Q173 VanDerWaalsContact O-OE1 3.05Å; S168-R191 PolarHBondContact O-NH1 3.44Å; S168-R191 VanDerWaalsContact OG-CD 3.28Å; S168-R191 WeakPolarHBondContact OG-CD 3.3Å; S168-R191 PolarHBondContact OG-NH1 3.34Å
169	D	87.2	Confident	82.7	Confident	81 Å²	81	38.4 Å²	38.4	43%	0.433	22%	0.223	S	C	.	.	H	α-helix	trans	-68.4	-33.4	175.9	-74.5	-26.2	0	0	0	112.3	K165 L166 G171 R191	K165-D169 PolarHBondContact O-N 2.56Å; L166-D169 PolarHBondContact O-N 3.16Å; L166-D169 VanDerWaalsContact O-N 3.11Å; D169-G171 PolarHBondContact O-N 3.49Å; D169-R191 IonicContact OD1-CZ 3.87Å; D169-R191 IonicContact OD1-NH1 3.54Å; D169-R191 PolarHBondContact OD1-NH1 3.09Å; D169-R191 IonicContact OD1-NH2 2.77Å; D169-R191 PolarHBondContact OD1-NH2 3.01Å
170	A	89.5	Confident	82	Confident	57 Å²	57	40 Å²	40	47%	0.471	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-8.5	173.8	0	0	0	0	0	113.9	I138 L166 S168 F172	I138-A170 HydrophobicContact CG2-CB 4.14Å; L166-A170 WeakPolarHBondContact O-CB 3.09Å; L166-A170 PolarHBondContact O-N 2.87Å; S168-A170 VanDerWaalsContact C-N 3.34Å; A170-F172 HydrophobicContact CB-CD2 3.78Å; A170-F172 HydrophobicContact CB-CE2 3.86Å
171	G	85.4	Confident	81.3	Confident	40 Å²	40	40.2 Å²	40.2	41%	0.412	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	4.1	175.7	0	0	0	0	0	115.5	I167 S168 D169 Q173	I167-G171 PolarHBondContact O-N 3.23Å; S168-G171 PolarHBondContact O-N 3.37Å; D169-G171 PolarHBondContact O-N 3.49Å; G171-Q173 VanDerWaalsContact C-N 3.31Å; G171-Q173 PolarHBondContact O-N 2.97Å; G171-Q173 PolarHBondContact O-OE1 2.93Å
172	F	86.1	Confident	80.8	Confident	52 Å²	52	39.4 Å²	39.4	23%	0.228	23%	0.233	C	C	.	.			trans	-88.7	15.5	-178.9	-56.9	-68	0	0	0	113.8	I138 I167 A170 S174 E175	I138-F172 HydrophobicContact CG2-CD2 4.23Å; I138-F172 HydrophobicContact CG2-CE2 4.21Å; I167-F172 HydrophobicContact CG2-CB 3.79Å; I167-F172 PolarHBondContact O-N 3.34Å; I167-F172 VanDerWaalsContact O-N 3.16Å; A170-F172 HydrophobicContact CB-CD2 3.78Å; A170-F172 HydrophobicContact CB-CE2 3.86Å; F172-S174 PolarHBondContact O-N 3Å; F172-E175 WeakPolarHBondContact CD1-OE1 3.4Å; F172-E175 WeakPolarHBondContact O-CB 3.46Å; F172-E175 PolarHBondContact O-N 3.37Å
173	Q	78.9	Confident	80.5	Confident	44 Å²	44	36.2 Å²	36.2	21%	0.206	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-59.6	-22.2	-177.7	65.7	-81.8	0.3	0	0	114.5	S168 G171 E175 I176 R191	S168-Q173 PolarHBondContact O-OE1 2.85Å; S168-Q173 VanDerWaalsContact O-OE1 3.05Å; G171-Q173 VanDerWaalsContact C-N 3.31Å; G171-Q173 PolarHBondContact O-N 2.97Å; G171-Q173 PolarHBondContact O-OE1 2.93Å; Q173-E175 PolarHBondContact O-N 3.31Å; Q173-I176 HydrophobicContact CB-CD1 4.37Å; Q173-I176 PolarHBondContact O-N 3.24Å; Q173-R191 HydrophobicContact CG-CB 4.34Å
174	S	74	Confident	80.1	Confident	89 Å²	89	41.5 Å²	41.5	62%	0.622	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-68.2	-18.9	176.1	51.2	0	0	0	0	113.4	F172	F172-S174 PolarHBondContact O-N 3Å
175	E	80.4	Confident	79.7	Confident	44 Å²	44	44.4 Å²	44.4	21%	0.206	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-84.5	-13.4	177.6	-60.6	175.8	-162.3	0	0	112.8	Y141 R144 Y148 F172 Q173 T177	Y141-E175 VanDerWaalsContact CD2-OE2 3.31Å; Y141-E175 WeakPolarHBondContact CD2-OE2 3.33Å; R144-E175 IonicContact CZ-OE1 2.89Å; R144-E175 IonicContact CZ-OE2 3.48Å; R144-E175 IonicContact NE-OE1 2.71Å; R144-E175 IonicContact NE-OE2 2.79Å; R144-E175 PolarHBondContact NE-OE2 3.46Å; R144-E175 IonicContact NH2-OE1 3.11Å; R144-E175 PolarHBondContact NH2-OE1 3.13Å; R144-E175 IonicContact NH2-OE2 3.01Å; R144-E175 PolarHBondContact NH2-OE2 2.79Å; Y148-E175 HydrophobicContact CE2-CB 3.91Å; F172-E175 WeakPolarHBondContact CD1-OE1 3.4Å; F172-E175 WeakPolarHBondContact O-CB 3.46Å; F172-E175 PolarHBondContact O-N 3.37Å; Q173-E175 PolarHBondContact O-N 3.31Å; E175-T177 PolarHBondContact O-N 3.31Å
176	I	72	Confident	79.7	Confident	9 Å²	9	44.8 Å²	44.8	5%	0.046	26%	0.262	C	S	.	.			trans	-74.3	78.6	176.5	-50.7	174.1	0	0	0	108	Y148 I164 Q173 S178 A182 V188	Y148-I176 HydrophobicContact CD1-CG1 4.49Å; Y148-I176 HydrophobicContact CE1-CD1 4.47Å; Y148-I176 HydrophobicContact CE1-CG1 3.66Å; I164-I176 HydrophobicContact CG2-CD1 4.22Å; Q173-I176 HydrophobicContact CB-CD1 4.37Å; Q173-I176 PolarHBondContact O-N 3.24Å; I176-S178 VanDerWaalsContact C-N 3.26Å; I176-A182 HydrophobicContact CG2-CB 4.01Å; I176-V188 HydrophobicContact CD1-CG1 3.6Å
177	T	66.2	Low	79.6	Confident	126 Å²	126	47.6 Å²	47.6	77%	0.773	27%	0.274	S	S	*	.			trans	-74.2	-23	177.8	56.2	0	0	0	0	111.9	E175 I179	E175-T177 PolarHBondContact O-N 3.31Å; T177-I179 PolarHBondContact O-N 3.03Å
178	S	70.5	Confident	79.4	Confident	16 Å²	16	47.7 Å²	47.7	11%	0.112	28%	0.275	C	S	.	.			trans	-80.1	110.1	-179.5	-162.7	0	0	0	0	112	E152 I176 S180 T181 A182	E152-S178 WeakPolarHBondContact CG-OG 3.5Å; E152-S178 WeakPolarHBondContact OE1-CB 3.34Å; E152-S178 PolarHBondContact OE1-OG 3.04Å; I176-S178 VanDerWaalsContact C-N 3.26Å; S178-S180 PolarHBondContact O-N 3.27Å; S178-S180 PolarHBondContact OG-OG 2.99Å; S178-T181 PolarHBondContact O-N 3.3Å; S178-A182 PolarHBondContact O-N 3.29Å
179	I	70.6	Confident	79.6	Confident	39 Å²	39	47.6 Å²	47.6	20%	0.2	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-34.5	179.1	-58	159.5	0	0	0	110.7	T177 T181 A182 A183 R216 M217 H220	T177-I179 PolarHBondContact O-N 3.03Å; I179-T181 PolarHBondContact O-N 3.35Å; I179-A182 PolarHBondContact O-N 3.26Å; I179-A183 WeakPolarHBondContact O-CB 3.3Å; I179-A183 PolarHBondContact O-N 3.11Å; I179-R216 HydrophobicContact CD1-CG 4.2Å; I179-M217 HydrophobicContact CD1-CB 4.18Å; I179-M217 HydrophobicContact CG1-CB 4.2Å; I179-M217 HydrophobicContact CG1-CG 4.31Å; I179-M217 HydrophobicContact CG2-CB 4.41Å; I179-M217 HydrophobicContact CG2-CG 4.03Å; I179-H220 HydrophobicContact CB-CB 4.46Å; I179-H220 HydrophobicContact CG2-CB 3.4Å
180	S	74.5	Confident	79.8	Confident	44 Å²	44	45.2 Å²	45.2	31%	0.308	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-46.2	-179.1	43.1	0	0	0	0	111.9	S178 A183 H220	S178-S180 PolarHBondContact O-N 3.27Å; S178-S180 PolarHBondContact OG-OG 2.99Å; S180-A183 PolarHBondContact O-N 3.05Å; S180-H220 WeakPolarHBondContact CA-NE2 3.27Å
181	T	74.8	Confident	79.7	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-65.6	-45.1	179.5	-53.8	0	0	0	0	111.7	A151 E152 I164 S178 I179 A183	A151-T181 HydrophobicContact CB-CG2 3.59Å; E152-T181 WeakPolarHBondContact CG-OG1 3.46Å; I164-T181 HydrophobicContact CD1-CG2 3.61Å; I164-T181 HydrophobicContact CG1-CG2 3.74Å; I164-T181 HydrophobicContact CG2-CG2 4.18Å; S178-T181 PolarHBondContact O-N 3.3Å; I179-T181 PolarHBondContact O-N 3.35Å; T181-A183 PolarHBondContact O-N 2.88Å
182	A	75.8	Confident	79.8	Confident	2 Å²	2	45.9 Å²	45.9	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-39.4	177	0	0	0	0	0	112.1	I176 S178 I179 Q184 Q185 V188 F189 V192	I176-A182 HydrophobicContact CG2-CB 4.01Å; S178-A182 PolarHBondContact O-N 3.29Å; I179-A182 PolarHBondContact O-N 3.26Å; A182-Q184 VanDerWaalsContact C-N 3.26Å; A182-Q184 PolarHBondContact O-N 3.21Å; A182-Q185 PolarHBondContact O-N 3.12Å; A182-V188 HydrophobicContact CB-CG1 4.31Å; A182-F189 WeakPolarHBondContact O-CB 3.28Å; A182-V192 HydrophobicContact CB-CG2 4.2Å
183	A	79.6	Confident	80.1	Confident	4 Å²	4	43.4 Å²	43.4	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-65.5	-22.8	-174.3	0	0	0	0	0	114.3	I179 S180 T181 Q185 H223 T224	I179-A183 WeakPolarHBondContact O-CB 3.3Å; I179-A183 PolarHBondContact O-N 3.11Å; S180-A183 PolarHBondContact O-N 3.05Å; T181-A183 PolarHBondContact O-N 2.88Å; A183-Q185 VanDerWaalsContact C-N 3.35Å; A183-H223 PolarHBondContact O-NE2 2.96Å; A183-T224 HydrophobicContact CB-CG2 3.68Å
184	Q	79.7	Confident	80.7	Confident	111 Å²	111	48.1 Å²	48.1	52%	0.519	25%	0.253	S	S	.	.	H	α-helix	trans	-72.5	-28.5	176.6	-63.3	-59.5	-12	0	0	112.8	A182	A182-Q184 VanDerWaalsContact C-N 3.26Å; A182-Q184 PolarHBondContact O-N 3.21Å
185	Q	80.7	Confident	81.4	Confident	61 Å²	61	46.8 Å²	46.8	29%	0.285	24%	0.241	S	C	.	.			trans	-112.9	105.6	-177.5	-67.7	-63.2	-17	0	0	110.4	A182 A183 E187 V188 F189	A182-Q185 PolarHBondContact O-N 3.12Å; A183-Q185 VanDerWaalsContact C-N 3.35Å; Q185-E187 PolarHBondContact O-N 2.91Å; Q185-E187 VanDerWaalsContact O-N 3.14Å; Q185-V188 HydrophobicContact CB-CB 3.96Å; Q185-V188 HydrophobicContact CB-CG2 3.76Å; Q185-V188 PolarHBondContact O-N 3.5Å; Q185-F189 PolarHBondContact O-N 3.38Å
186	I	84.7	Confident	81.8	Confident	76 Å²	76	45.2 Å²	45.2	39%	0.39	24%	0.235	S	C	.	.	H	α-helix	trans	-58.5	-35.5	-173.5	-167.5	66.6	0	0	0	113	F189 S190 Y227	I186-F189 HydrophobicContact CD1-CD1 4.3Å; I186-S190 WeakPolarHBondContact O-CB 3.38Å; I186-S190 PolarHBondContact O-N 3.46Å; I186-S190 PolarHBondContact O-OG 2.69Å; I186-Y227 HydrophobicContact CD1-CD1 3.79Å; I186-Y227 HydrophobicContact CD1-CD2 3.66Å; I186-Y227 HydrophobicContact CD1-CE1 4.09Å; I186-Y227 HydrophobicContact CD1-CE2 3.95Å; I186-Y227 HydrophobicContact CD1-CG 3.58Å; I186-Y227 HydrophobicContact CG1-CD2 4.11Å; I186-Y227 HydrophobicContact CG1-CE2 3.98Å; I186-Y227 HydrophobicContact CG1-CG 4.49Å
187	E	85.6	Confident	82.7	Confident	98 Å²	98	45.4 Å²	45.4	46%	0.458	24%	0.236	S	C	.	.	H	α-helix	trans	-64.8	-43	177.6	-67.4	-179.5	171.8	0	0	112	K165 Q185 S190 R191	K165-E187 WeakPolarHBondContact CE-OE2 3.42Å; K165-E187 IonicContact NZ-OE1 3.4Å; K165-E187 IonicContact NZ-OE2 3.54Å; K165-E187 PolarHBondContact NZ-OE2 2.77Å; Q185-E187 PolarHBondContact O-N 2.91Å; Q185-E187 VanDerWaalsContact O-N 3.14Å; E187-S190 PolarHBondContact O-N 3.32Å; E187-R191 PolarHBondContact O-N 2.82Å
188	V	85.3	Confident	83.9	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-67.6	-49.8	177.2	179.9	0	0	0	0	109.4	I164 I176 A182 Q185 S190 R191 V192	I164-V188 HydrophobicContact CG2-CG1 4.12Å; I164-V188 HydrophobicContact CG2-CG2 4.21Å; I176-V188 HydrophobicContact CD1-CG1 3.6Å; A182-V188 HydrophobicContact CB-CG1 4.31Å; Q185-V188 HydrophobicContact CB-CB 3.96Å; Q185-V188 HydrophobicContact CB-CG2 3.76Å; Q185-V188 PolarHBondContact O-N 3.5Å; V188-S190 VanDerWaalsContact C-N 3.26Å; V188-S190 PolarHBondContact O-N 2.65Å; V188-R191 PolarHBondContact O-N 2.96Å; V188-V192 HydrophobicContact CG1-CG2 4.48Å; V188-V192 WeakPolarHBondContact O-CG2 3.23Å; V188-V192 PolarHBondContact O-N 3.44Å
189	F	89.6	Confident	84.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-53.2	-43.8	175.2	-178.4	-99.8	0	0	0	112.1	A182 Q185 I186 R191 V192 L193 M217 T224 Y227 S228	A182-F189 WeakPolarHBondContact O-CB 3.28Å; Q185-F189 PolarHBondContact O-N 3.38Å; I186-F189 HydrophobicContact CD1-CD1 4.3Å; F189-R191 VanDerWaalsContact C-N 3.27Å; F189-R191 PolarHBondContact O-N 2.61Å; F189-V192 PolarHBondContact O-N 2.84Å; F189-L193 HydrophobicContact CE1-CB 4.33Å; F189-L193 HydrophobicContact CE1-CD2 4.06Å; F189-L193 VanDerWaalsContact O-CB 3.27Å; F189-L193 WeakPolarHBondContact O-CB 3.31Å; F189-L193 PolarHBondContact O-N 2.86Å; F189-M217 HydrophobicContact CE2-CG 3.74Å; F189-M217 HydrophobicContact CE2-SD 4.3Å; F189-M217 HydrophobicContact CZ-CG 4.4Å; F189-T224 HydrophobicContact CD1-CG2 4.49Å; F189-T224 HydrophobicContact CD2-CG2 3.96Å; F189-T224 HydrophobicContact CE1-CG2 4.3Å; F189-T224 HydrophobicContact CE2-CG2 3.73Å; F189-T224 HydrophobicContact CG-CG2 4.35Å; F189-T224 HydrophobicContact CZ-CG2 3.93Å; F189-Y227 HydrophobicContact CD1-CD1 4.02Å; F189-Y227 HydrophobicContact CD1-CE1 4.27Å; F189-Y227 AromaticContact CE1-CD1 3.94Å; F189-Y227 HydrophobicContact CE1-CD1 3.94Å; F189-Y227 HydrophobicContact CE1-CE1 4.44Å; F189-S228 WeakPolarHBondContact CE1-OG 3.37Å
190	S	91	Very high	85.5	Confident	30 Å²	30	45 Å²	45	21%	0.21	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-37.4	179.3	-59	0	0	0	0	112.4	I186 E187 V188 K194 Y227	I186-S190 WeakPolarHBondContact O-CB 3.38Å; I186-S190 PolarHBondContact O-N 3.46Å; I186-S190 PolarHBondContact O-OG 2.69Å; E187-S190 PolarHBondContact O-N 3.32Å; V188-S190 VanDerWaalsContact C-N 3.26Å; V188-S190 PolarHBondContact O-N 2.65Å; S190-K194 WeakPolarHBondContact O-CB 3.25Å; S190-K194 PolarHBondContact O-N 3.41Å; S190-Y227 PolarHBondContact OG-OH 2.68Å
191	R	88.6	Confident	86.1	Confident	91 Å²	91	46.8 Å²	46.8	34%	0.343	23%	0.231	S	C	.	.	H	α-helix	trans	-73	-42.3	176.9	-68.7	177.3	-178.6	177.5	8.3	111.9	S168 D169 Q173 E187 V188 F189 L193 K194 T195	S168-R191 PolarHBondContact O-NH1 3.44Å; S168-R191 VanDerWaalsContact OG-CD 3.28Å; S168-R191 WeakPolarHBondContact OG-CD 3.3Å; S168-R191 PolarHBondContact OG-NH1 3.34Å; D169-R191 IonicContact OD1-CZ 3.87Å; D169-R191 IonicContact OD1-NH1 3.54Å; D169-R191 PolarHBondContact OD1-NH1 3.09Å; D169-R191 IonicContact OD1-NH2 2.77Å; D169-R191 PolarHBondContact OD1-NH2 3.01Å; Q173-R191 HydrophobicContact CG-CB 4.34Å; E187-R191 PolarHBondContact O-N 2.82Å; V188-R191 PolarHBondContact O-N 2.96Å; F189-R191 VanDerWaalsContact C-N 3.27Å; F189-R191 PolarHBondContact O-N 2.61Å; R191-L193 VanDerWaalsContact C-N 3.34Å; R191-K194 WeakPolarHBondContact O-CB 3.33Å; R191-K194 PolarHBondContact O-N 3.24Å; R191-T195 PolarHBondContact O-N 2.78Å; R191-T195 PolarHBondContact O-OG1 3.27Å; R191-T195 VanDerWaalsContact O-OG1 3.08Å
192	V	87.9	Confident	86.7	Confident	21 Å²	21	52.5 Å²	52.5	13%	0.127	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-43.6	175.2	-175.5	0	0	0	0	110.3	A182 V188 F189 K194 T195 S196 M217	A182-V192 HydrophobicContact CB-CG2 4.2Å; V188-V192 HydrophobicContact CG1-CG2 4.48Å; V188-V192 WeakPolarHBondContact O-CG2 3.23Å; V188-V192 PolarHBondContact O-N 3.44Å; F189-V192 PolarHBondContact O-N 2.84Å; V192-K194 PolarHBondContact O-N 3.03Å; V192-T195 PolarHBondContact O-N 3.33Å; V192-S196 WeakPolarHBondContact O-CB 3.32Å; V192-S196 PolarHBondContact O-N 3.21Å; V192-M217 HydrophobicContact CB-SD 4.21Å; V192-M217 HydrophobicContact CG1-SD 3.46Å; V192-M217 WeakPolarHBondContact CG1-SD 3.49Å
193	L	91.6	Very high	86.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-47.2	173.5	-179.6	62	0	0	0	111.9	F189 R191 T195 S196 I197 M217 V218 Y227 L231	F189-L193 HydrophobicContact CE1-CB 4.33Å; F189-L193 HydrophobicContact CE1-CD2 4.06Å; F189-L193 VanDerWaalsContact O-CB 3.27Å; F189-L193 WeakPolarHBondContact O-CB 3.31Å; F189-L193 PolarHBondContact O-N 2.86Å; R191-L193 VanDerWaalsContact C-N 3.34Å; L193-T195 PolarHBondContact O-N 2.98Å; L193-S196 PolarHBondContact O-N 2.84Å; L193-I197 HydrophobicContact CD1-CD1 3.97Å; L193-I197 HydrophobicContact CD1-CG1 4.2Å; L193-I197 HydrophobicContact CG-CD1 3.92Å; L193-I197 HydrophobicContact CG-CG1 4.49Å; L193-I197 WeakPolarHBondContact O-CG1 3.43Å; L193-I197 PolarHBondContact O-N 3.48Å; L193-M217 HydrophobicContact CB-CE 4.24Å; L193-M217 HydrophobicContact CD1-CE 3.87Å; L193-V218 HydrophobicContact CD1-CG2 3.74Å; L193-Y227 HydrophobicContact CD2-CE1 4.31Å; L193-L231 HydrophobicContact CD2-CD2 3.88Å
194	K	91.8	Very high	86.3	Confident	143 Å²	143	58.5 Å²	58.5	62%	0.622	30%	0.297	S	S	*	.	H	α-helix	trans	-56.9	-48.9	175.1	179	-174.8	175.5	-175.2	0	111.4	S190 R191 V192 S196 I197 V198	S190-K194 WeakPolarHBondContact O-CB 3.25Å; S190-K194 PolarHBondContact O-N 3.41Å; R191-K194 WeakPolarHBondContact O-CB 3.33Å; R191-K194 PolarHBondContact O-N 3.24Å; V192-K194 PolarHBondContact O-N 3.03Å; K194-S196 VanDerWaalsContact C-N 3.31Å; K194-S196 PolarHBondContact O-N 2.66Å; K194-I197 PolarHBondContact O-N 3.2Å; K194-V198 HydrophobicContact CG-CG2 4.43Å; K194-V198 WeakPolarHBondContact O-CB 3.39Å; K194-V198 VanDerWaalsContact O-CG2 3.27Å; K194-V198 WeakPolarHBondContact O-CG2 3.37Å; K194-V198 PolarHBondContact O-N 2.97Å
195	T	88.7	Confident	85.9	Confident	61 Å²	61	58.6 Å²	58.6	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-59.5	-43	178.5	-59.2	0	0	0	0	111.3	R191 V192 L193 V198 K199	R191-T195 PolarHBondContact O-N 2.78Å; R191-T195 PolarHBondContact O-OG1 3.27Å; R191-T195 VanDerWaalsContact O-OG1 3.08Å; V192-T195 PolarHBondContact O-N 3.33Å; L193-T195 PolarHBondContact O-N 2.98Å; T195-V198 PolarHBondContact O-N 3.41Å; T195-K199 WeakPolarHBondContact O-CB 3.23Å; T195-K199 PolarHBondContact O-N 3.49Å
196	S	89.2	Confident	85.8	Confident	10 Å²	10	59.5 Å²	59.5	7%	0.07	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-43.6	177.5	-171.1	0	0	0	0	112.5	V192 L193 K194 K199 F200 C214	V192-S196 WeakPolarHBondContact O-CB 3.32Å; V192-S196 PolarHBondContact O-N 3.21Å; L193-S196 PolarHBondContact O-N 2.84Å; K194-S196 VanDerWaalsContact C-N 3.31Å; K194-S196 PolarHBondContact O-N 2.66Å; S196-K199 WeakPolarHBondContact O-CB 3.48Å; S196-K199 PolarHBondContact O-N 3.45Å; S196-F200 PolarHBondContact O-N 3.22Å; S196-C214 WeakPolarHBondContact OG-CA 3.37Å; S196-C214 VanDerWaalsContact OG-CB 3.25Å; S196-C214 WeakPolarHBondContact OG-CB 3.26Å
197	I	91.5	Very high	85.6	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.072	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-41.8	175.5	-67.6	172.5	0	0	0	111	L193 K194 K199 F200 L201 M245 L248	L193-I197 HydrophobicContact CD1-CD1 3.97Å; L193-I197 HydrophobicContact CD1-CG1 4.2Å; L193-I197 HydrophobicContact CG-CD1 3.92Å; L193-I197 HydrophobicContact CG-CG1 4.49Å; L193-I197 WeakPolarHBondContact O-CG1 3.43Å; L193-I197 PolarHBondContact O-N 3.48Å; K194-I197 PolarHBondContact O-N 3.2Å; I197-K199 VanDerWaalsContact C-N 3.34Å; I197-K199 PolarHBondContact O-N 2.88Å; I197-F200 WeakPolarHBondContact O-CB 3.23Å; I197-F200 PolarHBondContact O-N 3.03Å; I197-L201 HydrophobicContact CG2-CD1 4.04Å; I197-L201 HydrophobicContact CG2-CG 4.43Å; I197-L201 WeakPolarHBondContact O-CG 3.08Å; I197-L201 PolarHBondContact O-N 3.06Å; I197-M245 HydrophobicContact CG2-CE 3.85Å; I197-M245 HydrophobicContact CG2-SD 4.05Å; I197-L248 HydrophobicContact CD1-CD2 4.38Å; I197-L248 HydrophobicContact CG1-CD2 3.9Å
198	V	90.6	Very high	85.4	Confident	64 Å²	64	59.8 Å²	59.8	39%	0.388	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-40.5	176.4	170.3	0	0	0	0	111	K194 T195 F200 L201 N202	K194-V198 HydrophobicContact CG-CG2 4.43Å; K194-V198 WeakPolarHBondContact O-CB 3.39Å; K194-V198 VanDerWaalsContact O-CG2 3.27Å; K194-V198 WeakPolarHBondContact O-CG2 3.37Å; K194-V198 PolarHBondContact O-N 2.97Å; T195-V198 PolarHBondContact O-N 3.41Å; V198-F200 PolarHBondContact O-N 3.35Å; V198-L201 PolarHBondContact O-N 2.89Å; V198-N202 WeakPolarHBondContact CG1-ND2 3.4Å; V198-N202 WeakPolarHBondContact O-CB 3.24Å; V198-N202 PolarHBondContact O-N 3.35Å
199	K	87.5	Confident	85.5	Confident	88 Å²	88	60.6 Å²	60.6	38%	0.383	32%	0.32	S	S	.	.	H	α-helix	trans	-59.3	-45.9	173.7	-175.5	-177.5	178.1	-174.1	0	111	T195 S196 I197 L201 N202 N203 E213	T195-K199 WeakPolarHBondContact O-CB 3.23Å; T195-K199 PolarHBondContact O-N 3.49Å; S196-K199 WeakPolarHBondContact O-CB 3.48Å; S196-K199 PolarHBondContact O-N 3.45Å; I197-K199 VanDerWaalsContact C-N 3.34Å; I197-K199 PolarHBondContact O-N 2.88Å; K199-L201 PolarHBondContact O-N 3.4Å; K199-N202 PolarHBondContact O-N 3.25Å; K199-N203 WeakPolarHBondContact O-CB 3.41Å; K199-N203 PolarHBondContact O-N 3.35Å; K199-E213 IonicContact NZ-OE1 2.72Å; K199-E213 IonicContact NZ-OE2 3.76Å; K199-E213 PolarHBondContact NZ-OE2 3.25Å
200	F	86.5	Confident	85.4	Confident	19 Å²	19	60.7 Å²	60.7	8%	0.083	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-43.8	173.9	156.6	-109.3	0	0	0	112.7	S196 I197 V198 V207 A210 I211 N244 M245 L248	S196-F200 PolarHBondContact O-N 3.22Å; I197-F200 WeakPolarHBondContact O-CB 3.23Å; I197-F200 PolarHBondContact O-N 3.03Å; V198-F200 PolarHBondContact O-N 3.35Å; F200-V207 HydrophobicContact CD2-CG1 4.03Å; F200-V207 HydrophobicContact CE2-CG1 3.78Å; F200-A210 HydrophobicContact CB-CB 4.31Å; F200-I211 HydrophobicContact CD2-CD1 4.09Å; F200-I211 HydrophobicContact CD2-CG1 3.59Å; F200-I211 HydrophobicContact CE2-CD1 3.76Å; F200-I211 HydrophobicContact CE2-CG1 3.76Å; F200-I211 HydrophobicContact CG-CG1 4.49Å; F200-N244 HydrophobicContact CE1-CB 4.4Å; F200-M245 HydrophobicContact CD1-CE 4.42Å; F200-M245 HydrophobicContact CE1-CE 4.07Å; F200-L248 HydrophobicContact CD1-CD2 4.31Å; F200-L248 HydrophobicContact CE1-CB 4.26Å
201	L	88.2	Confident	85.3	Confident	83 Å²	83	60 Å²	60	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-72	-29.9	-178.3	-69.6	173.1	0	0	0	113.5	I197 V198 K199 N244 M245	I197-L201 HydrophobicContact CG2-CD1 4.04Å; I197-L201 HydrophobicContact CG2-CG 4.43Å; I197-L201 WeakPolarHBondContact O-CG 3.08Å; I197-L201 PolarHBondContact O-N 3.06Å; V198-L201 PolarHBondContact O-N 2.89Å; K199-L201 PolarHBondContact O-N 3.4Å; L201-N244 HydrophobicContact CD2-CB 4Å; L201-M245 HydrophobicContact CD1-CE 4.16Å; L201-M245 HydrophobicContact CD2-CE 3.91Å; L201-M245 HydrophobicContact CG-CE 4.27Å
202	N	86.5	Confident	85.4	Confident	124 Å²	124	59.6 Å²	59.6	66%	0.663	32%	0.316	S	S	*	.	H	α-helix	trans	-101.7	-10.7	-174.5	-69.1	-15.6	0	0	0	114.2	V198 K199 P204	V198-N202 WeakPolarHBondContact CG1-ND2 3.4Å; V198-N202 WeakPolarHBondContact O-CB 3.24Å; V198-N202 PolarHBondContact O-N 3.35Å; K199-N202 PolarHBondContact O-N 3.25Å; N202-P204 VanDerWaalsContact C-CD 3.47Å; N202-P204 WeakPolarHBondContact O-CD 3.33Å
203	N	78	Confident	85.5	Confident	48 Å²	48	62.6 Å²	62.6	26%	0.257	33%	0.329	S	S	.	.			trans	-108.7	82.8	-179	-167.7	-14.2	0	0	0	111.2	K199 D205 D206 V207	K199-N203 WeakPolarHBondContact O-CB 3.41Å; K199-N203 PolarHBondContact O-N 3.35Å; N203-D205 PolarHBondContact O-N 3.24Å; N203-D205 PolarHBondContact OD1-N 3.11Å; N203-D206 PolarHBondContact OD1-N 2.9Å; N203-D206 VanDerWaalsContact OD1-N 3.12Å; N203-V207 VanDerWaalsContact O-CG2 3.31Å; N203-V207 WeakPolarHBondContact O-CG2 3.29Å
204	P	69.4	Low	85.5	Confident	84 Å²	84	62.6 Å²	62.6	55%	0.545	33%	0.329	S	S	.	.	S	Bend	trans	-69.6	-13.7	176.4	30.8	-36.2	0	0	0	112.9	N202 R503	N202-P204 VanDerWaalsContact C-CD 3.47Å; N202-P204 WeakPolarHBondContact O-CD 3.33Å; P204-R503 PolarHBondContact O-NH1 3.04Å
205	D	70.3	Confident	85.6	Confident	113 Å²	113	55.8 Å²	55.8	60%	0.604	30%	0.299	S	S	*	.	S	Bend	trans	-79.6	-42.6	-175.8	-64.1	-23.9	0	0	0	112.1	N203 R503	N203-D205 PolarHBondContact O-N 3.24Å; N203-D205 PolarHBondContact OD1-N 3.11Å; D205-R503 IonicContact OD1-CZ 2.64Å; D205-R503 IonicContact OD1-NH1 3.52Å; D205-R503 IonicContact OD1-NH2 2.74Å; D205-R503 PolarHBondContact OD1-NH2 3.32Å
206	D	78.7	Confident	85.7	Confident	80 Å²	80	58 Å²	58	43%	0.428	30%	0.301	S	S	.	.	S	Bend	trans	-123.8	56.9	177.5	-175	25.5	0	0	0	112.2	N203 H208 G209 A210	N203-D206 PolarHBondContact OD1-N 2.9Å; N203-D206 VanDerWaalsContact OD1-N 3.12Å; D206-H208 PolarHBondContact O-N 3.15Å; D206-G209 VanDerWaalsContact OD1-CA 3.29Å; D206-G209 WeakPolarHBondContact OD1-CA 3.41Å; D206-G209 PolarHBondContact OD1-N 2.82Å; D206-A210 VanDerWaalsContact O-CB 3.3Å; D206-A210 WeakPolarHBondContact O-CB 3.5Å; D206-A210 PolarHBondContact O-N 2.97Å
207	V	81	Confident	85.8	Confident	53 Å²	53	58.2 Å²	58.2	32%	0.321	30%	0.301	S	S	.	.	H	α-helix	trans	-59.5	-39.4	176.7	177.6	0	0	0	0	110.8	F200 N203 I211	F200-V207 HydrophobicContact CD2-CG1 4.03Å; F200-V207 HydrophobicContact CE2-CG1 3.78Å; N203-V207 VanDerWaalsContact O-CG2 3.31Å; N203-V207 WeakPolarHBondContact O-CG2 3.29Å; V207-I211 HydrophobicContact CG1-CD1 3.66Å; V207-I211 HydrophobicContact CG1-CG1 4.33Å; V207-I211 WeakPolarHBondContact O-CB 3.35Å; V207-I211 WeakPolarHBondContact O-CD1 3.43Å; V207-I211 WeakPolarHBondContact O-CG1 3.31Å; V207-I211 PolarHBondContact O-N 3.35Å
208	H	82.6	Confident	85.9	Confident	127 Å²	127	57.5 Å²	57.5	59%	0.588	30%	0.297	S	S	*	.	H	α-helix	trans	-70.4	-46.2	-176.1	-169.7	58.4	0	0	0	112.3	D206 I211 Q212	D206-H208 PolarHBondContact O-N 3.15Å; H208-I211 PolarHBondContact O-N 3.39Å; H208-Q212 WeakPolarHBondContact O-CB 3.45Å; H208-Q212 PolarHBondContact O-N 3.33Å
209	G	85.7	Confident	86.1	Confident	20 Å²	20	55 Å²	55	21%	0.206	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-42.2	175.4	0	0	0	0	0	112	D206 I211 Q212 E213	D206-G209 VanDerWaalsContact OD1-CA 3.29Å; D206-G209 WeakPolarHBondContact OD1-CA 3.41Å; D206-G209 PolarHBondContact OD1-N 2.82Å; G209-I211 PolarHBondContact O-N 3.17Å; G209-Q212 PolarHBondContact O-N 2.74Å; G209-E213 WeakPolarHBondContact O-CB 3.31Å; G209-E213 PolarHBondContact O-N 3.13Å
210	A	88	Confident	86.2	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-42.3	175.1	0	0	0	0	0	112.7	F200 D206 C214	F200-A210 HydrophobicContact CB-CB 4.31Å; D206-A210 VanDerWaalsContact O-CB 3.3Å; D206-A210 WeakPolarHBondContact O-CB 3.5Å; D206-A210 PolarHBondContact O-N 2.97Å; A210-C214 WeakPolarHBondContact O-CB 3.47Å; A210-C214 PolarHBondContact O-N 3.26Å
211	I	90	Very high	86.3	Confident	15 Å²	15	55.3 Å²	55.3	8%	0.077	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-45.1	174.4	-74	168.4	0	0	0	110.7	F200 V207 H208 G209 C214 A215 L248 E251	F200-I211 HydrophobicContact CD2-CD1 4.09Å; F200-I211 HydrophobicContact CD2-CG1 3.59Å; F200-I211 HydrophobicContact CE2-CD1 3.76Å; F200-I211 HydrophobicContact CE2-CG1 3.76Å; F200-I211 HydrophobicContact CG-CG1 4.49Å; V207-I211 HydrophobicContact CG1-CD1 3.66Å; V207-I211 HydrophobicContact CG1-CG1 4.33Å; V207-I211 WeakPolarHBondContact O-CB 3.35Å; V207-I211 WeakPolarHBondContact O-CD1 3.43Å; V207-I211 WeakPolarHBondContact O-CG1 3.31Å; V207-I211 PolarHBondContact O-N 3.35Å; H208-I211 PolarHBondContact O-N 3.39Å; G209-I211 PolarHBondContact O-N 3.17Å; I211-C214 PolarHBondContact O-N 3.22Å; I211-A215 VanDerWaalsContact O-CB 3.25Å; I211-A215 WeakPolarHBondContact O-CB 3.48Å; I211-A215 PolarHBondContact O-N 3.31Å; I211-L248 HydrophobicContact CG1-CD1 4.36Å; I211-E251 HydrophobicContact CD1-CG 4.33Å; I211-E251 HydrophobicContact CG2-CB 3.57Å; I211-E251 HydrophobicContact CG2-CG 4.18Å
212	Q	90.8	Very high	86.5	Confident	84 Å²	84	59.7 Å²	59.7	39%	0.393	31%	0.308	S	S	.	.	H	α-helix	trans	-66.1	-39.8	-177.4	-166.6	-176.8	17.6	0	0	111.8	H208 G209 A215 R216 Y255	H208-Q212 WeakPolarHBondContact O-CB 3.45Å; H208-Q212 PolarHBondContact O-N 3.33Å; G209-Q212 PolarHBondContact O-N 2.74Å; Q212-A215 PolarHBondContact O-N 3.3Å; Q212-R216 VanDerWaalsContact O-CB 3.31Å; Q212-R216 WeakPolarHBondContact O-CB 3.49Å; Q212-R216 PolarHBondContact O-N 3.12Å; Q212-Y255 HydrophobicContact CG-CD2 4.32Å; Q212-Y255 HydrophobicContact CG-CE2 3.99Å
213	E	88.1	Confident	86.7	Confident	84 Å²	84	58.4 Å²	58.4	39%	0.393	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-48.9	173.2	-174.5	-177	-177.2	0	0	111.3	K199 G209 A215 R216 M217	K199-E213 IonicContact NZ-OE1 2.72Å; K199-E213 IonicContact NZ-OE2 3.76Å; K199-E213 PolarHBondContact NZ-OE2 3.25Å; G209-E213 WeakPolarHBondContact O-CB 3.31Å; G209-E213 PolarHBondContact O-N 3.13Å; E213-A215 PolarHBondContact O-N 3.47Å; E213-R216 PolarHBondContact O-N 3.08Å; E213-M217 PolarHBondContact O-N 3.06Å; E213-M217 VanDerWaalsContact O-N 3.08Å
214	C	92	Very high	87.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-47.7	176.1	-174	0	0	0	0	111.5	S196 A210 I211 R216 M217 V218	S196-C214 WeakPolarHBondContact OG-CA 3.37Å; S196-C214 VanDerWaalsContact OG-CB 3.25Å; S196-C214 WeakPolarHBondContact OG-CB 3.26Å; A210-C214 WeakPolarHBondContact O-CB 3.47Å; A210-C214 PolarHBondContact O-N 3.26Å; I211-C214 PolarHBondContact O-N 3.22Å; C214-R216 PolarHBondContact O-N 3.36Å; C214-M217 PolarHBondContact O-N 3.41Å; C214-V218 WeakPolarHBondContact O-CB 3.26Å; C214-V218 VanDerWaalsContact O-CG2 3.28Å; C214-V218 WeakPolarHBondContact O-CG2 3.46Å; C214-V218 PolarHBondContact O-N 2.93Å
215	A	94.1	Very high	88.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-41.4	-178.9	0	0	0	0	0	112.4	I211 Q212 E213 M217 V218 C219 I252 Y255	I211-A215 VanDerWaalsContact O-CB 3.25Å; I211-A215 WeakPolarHBondContact O-CB 3.48Å; I211-A215 PolarHBondContact O-N 3.31Å; Q212-A215 PolarHBondContact O-N 3.3Å; E213-A215 PolarHBondContact O-N 3.47Å; A215-M217 VanDerWaalsContact C-N 3.33Å; A215-M217 PolarHBondContact O-N 3.15Å; A215-V218 PolarHBondContact O-N 3.35Å; A215-C219 VanDerWaalsContact O-CB 3.26Å; A215-C219 WeakPolarHBondContact O-CB 3.4Å; A215-C219 PolarHBondContact O-N 3.46Å; A215-C219 PolarHBondContact O-SG 3.12Å; A215-I252 HydrophobicContact CB-CG1 4.06Å; A215-Y255 HydrophobicContact CB-CD1 3.86Å; A215-Y255 HydrophobicContact CB-CD2 4.08Å; A215-Y255 HydrophobicContact CB-CG 3.59Å
216	R	91.6	Very high	89.8	Confident	108 Å²	108	50.1 Å²	50.1	41%	0.408	25%	0.25	S	S	.	.	H	α-helix	trans	-58.3	-46.4	173.8	-174.6	-172.4	-59.9	111.3	0.8	111.4	I179 Q212 E213 C214 H220 Y255	I179-R216 HydrophobicContact CD1-CG 4.2Å; Q212-R216 VanDerWaalsContact O-CB 3.31Å; Q212-R216 WeakPolarHBondContact O-CB 3.49Å; Q212-R216 PolarHBondContact O-N 3.12Å; E213-R216 PolarHBondContact O-N 3.08Å; C214-R216 PolarHBondContact O-N 3.36Å; R216-H220 PolarHBondContact O-N 3.01Å; R216-Y255 HydrophobicContact CB-CE1 4.33Å
217	M	91	Very high	90.6	Very high	13 Å²	13	50 Å²	50	6%	0.064	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-47.5	178	174.2	-179.8	63.4	0	0	112	I179 F189 V192 L193 E213 C214 A215 C219 H220	I179-M217 HydrophobicContact CD1-CB 4.18Å; I179-M217 HydrophobicContact CG1-CB 4.2Å; I179-M217 HydrophobicContact CG1-CG 4.31Å; I179-M217 HydrophobicContact CG2-CB 4.41Å; I179-M217 HydrophobicContact CG2-CG 4.03Å; F189-M217 HydrophobicContact CE2-CG 3.74Å; F189-M217 HydrophobicContact CE2-SD 4.3Å; F189-M217 HydrophobicContact CZ-CG 4.4Å; V192-M217 HydrophobicContact CB-SD 4.21Å; V192-M217 HydrophobicContact CG1-SD 3.46Å; V192-M217 WeakPolarHBondContact CG1-SD 3.49Å; L193-M217 HydrophobicContact CB-CE 4.24Å; L193-M217 HydrophobicContact CD1-CE 3.87Å; E213-M217 PolarHBondContact O-N 3.06Å; E213-M217 VanDerWaalsContact O-N 3.08Å; C214-M217 PolarHBondContact O-N 3.41Å; A215-M217 VanDerWaalsContact C-N 3.33Å; A215-M217 PolarHBondContact O-N 3.15Å; M217-C219 VanDerWaalsContact C-N 3.32Å; M217-C219 PolarHBondContact O-N 3.5Å; M217-H220 VanDerWaalsContact O-CB 3.3Å; M217-H220 WeakPolarHBondContact O-CB 3.4Å; M217-H220 PolarHBondContact O-N 2.89Å
218	V	94.2	Very high	91.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-41.4	179.7	169.9	0	0	0	0	111.2	L193 C214 A215 H220 T224 Y225 I252	L193-V218 HydrophobicContact CD1-CG2 3.74Å; C214-V218 WeakPolarHBondContact O-CB 3.26Å; C214-V218 VanDerWaalsContact O-CG2 3.28Å; C214-V218 WeakPolarHBondContact O-CG2 3.46Å; C214-V218 PolarHBondContact O-N 2.93Å; A215-V218 PolarHBondContact O-N 3.35Å; V218-H220 VanDerWaalsContact C-N 3.27Å; V218-H220 PolarHBondContact O-N 3.43Å; V218-T224 CarbonylContact O-C 3.52Å; V218-T224 PolarHBondContact O-OG1 2.97Å; V218-Y225 HydrophobicContact CG1-CD2 4.05Å; V218-Y225 VanDerWaalsContact O-CA 3.3Å; V218-Y225 WeakPolarHBondContact O-CA 3.36Å; V218-Y225 PolarHBondContact O-N 2.98Å; V218-Y225 VanDerWaalsContact O-N 3.13Å; V218-I252 HydrophobicContact CB-CD1 4.47Å; V218-I252 HydrophobicContact CB-CG2 4.3Å; V218-I252 HydrophobicContact CG1-CD1 4.35Å; V218-I252 HydrophobicContact CG1-CG2 3.77Å; V218-I252 HydrophobicContact CG2-CD1 4.21Å
219	C	93.6	Very high	91.9	Very high	10 Å²	10	41.6 Å²	41.6	7%	0.068	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	8	-177.8	-57.5	0	0	0	0	114.4	A215 M217 Y255 Q261	A215-C219 VanDerWaalsContact O-CB 3.26Å; A215-C219 WeakPolarHBondContact O-CB 3.4Å; A215-C219 PolarHBondContact O-N 3.46Å; A215-C219 PolarHBondContact O-SG 3.12Å; M217-C219 VanDerWaalsContact C-N 3.32Å; M217-C219 PolarHBondContact O-N 3.5Å; C219-Y255 HydrophobicContact CB-CD1 4.2Å; C219-Y255 HydrophobicContact CB-CE1 4.22Å; C219-Q261 PolarHBondContact O-NE2 3.3Å
220	H	90.1	Very high	92.4	Very high	97 Å²	97	43.8 Å²	43.8	45%	0.449	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-41.3	-179.7	178.9	78.8	0	0	0	113	I179 S180 R216 M217 V218	I179-H220 HydrophobicContact CB-CB 4.46Å; I179-H220 HydrophobicContact CG2-CB 3.4Å; S180-H220 WeakPolarHBondContact CA-NE2 3.27Å; R216-H220 PolarHBondContact O-N 3.01Å; M217-H220 VanDerWaalsContact O-CB 3.3Å; M217-H220 WeakPolarHBondContact O-CB 3.4Å; M217-H220 PolarHBondContact O-N 2.89Å; V218-H220 VanDerWaalsContact C-N 3.27Å; V218-H220 PolarHBondContact O-N 3.43Å
221	G	89.1	Confident	92.8	Very high	17 Å²	17	46.4 Å²	46.4	18%	0.175	23%	0.225	C	C	.	.	S	Bend	trans	-131.9	159.4	178.5	0	0	0	0	0	112.7	T224 Y225	G221-T224 WeakPolarHBondContact CA-OG1 3.31Å; G221-T224 PolarHBondContact N-OG1 3.07Å; G221-T224 PolarHBondContact O-OG1 3.15Å; G221-Y225 WeakPolarHBondContact O-CB 3.37Å; G221-Y225 PolarHBondContact O-N 3.38Å
222	Q	91.4	Very high	93	Very high	175 Å²	175	45.7 Å²	45.7	82%	0.818	22%	0.221	S	C	*	.	H	α-helix	trans	-64.8	-41.9	177.5	-63.7	-178.3	26.4	0	0	111.4	Y225 V226	Q222-Y225 PolarHBondContact O-N 2.87Å; Q222-V226 WeakPolarHBondContact O-CG2 3.48Å; Q222-V226 PolarHBondContact O-N 2.91Å
223	H	90.9	Very high	93.2	Very high	98 Å²	98	44.1 Å²	44.1	45%	0.454	21%	0.214	S	C	.	.	H	α-helix	trans	-69.9	-40.1	178.8	65.1	-66.4	0	0	0	112	A183 Y225 V226 Y227	A183-H223 PolarHBondContact O-NE2 2.96Å; H223-Y225 VanDerWaalsContact C-N 3.31Å; H223-Y225 PolarHBondContact O-N 3.47Å; H223-V226 PolarHBondContact O-N 3.24Å; H223-Y227 WeakPolarHBondContact O-CB 3.1Å; H223-Y227 PolarHBondContact O-N 3.08Å
224	T	93	Very high	93.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-40.2	175.1	59.1	0	0	0	0	111.1	A183 F189 V218 G221 S228	A183-T224 HydrophobicContact CB-CG2 3.68Å; F189-T224 HydrophobicContact CD1-CG2 4.49Å; F189-T224 HydrophobicContact CD2-CG2 3.96Å; F189-T224 HydrophobicContact CE1-CG2 4.3Å; F189-T224 HydrophobicContact CE2-CG2 3.73Å; F189-T224 HydrophobicContact CG-CG2 4.35Å; F189-T224 HydrophobicContact CZ-CG2 3.93Å; V218-T224 CarbonylContact O-C 3.52Å; V218-T224 PolarHBondContact O-OG1 2.97Å; G221-T224 WeakPolarHBondContact CA-OG1 3.31Å; G221-T224 PolarHBondContact N-OG1 3.07Å; G221-T224 PolarHBondContact O-OG1 3.15Å; T224-S228 VanDerWaalsContact O-CB 3.25Å; T224-S228 WeakPolarHBondContact O-CB 3.38Å; T224-S228 PolarHBondContact O-N 3.31Å; T224-S228 PolarHBondContact O-OG 3.21Å
225	Y	95.4	Very high	93.6	Very high	8 Å²	8	47.4 Å²	47.4	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-52	177.8	-178	-88	0	0	0	111.6	V218 G221 Q222 H223 Y227 S228 Q229 I252 A256 V263 I266	V218-Y225 HydrophobicContact CG1-CD2 4.05Å; V218-Y225 VanDerWaalsContact O-CA 3.3Å; V218-Y225 WeakPolarHBondContact O-CA 3.36Å; V218-Y225 PolarHBondContact O-N 2.98Å; V218-Y225 VanDerWaalsContact O-N 3.13Å; G221-Y225 WeakPolarHBondContact O-CB 3.37Å; G221-Y225 PolarHBondContact O-N 3.38Å; Q222-Y225 PolarHBondContact O-N 2.87Å; H223-Y225 VanDerWaalsContact C-N 3.31Å; H223-Y225 PolarHBondContact O-N 3.47Å; Y225-Y227 PolarHBondContact O-N 3.4Å; Y225-S228 PolarHBondContact O-N 3.47Å; Y225-Q229 HydrophobicContact CD1-CG 4.12Å; Y225-Q229 HydrophobicContact CD2-CG 4.46Å; Y225-Q229 HydrophobicContact CE1-CG 3.68Å; Y225-Q229 HydrophobicContact CE2-CG 4.05Å; Y225-Q229 HydrophobicContact CG-CG 4.48Å; Y225-Q229 WeakPolarHBondContact O-CB 3.48Å; Y225-Q229 WeakPolarHBondContact O-CG 3.22Å; Y225-Q229 PolarHBondContact O-N 3.35Å; Y225-I252 HydrophobicContact CD2-CG2 4.32Å; Y225-I252 HydrophobicContact CE2-CG2 3.81Å; Y225-A256 HydrophobicContact CE2-CB 4.34Å; Y225-V263 HydrophobicContact CD1-CG1 4.48Å; Y225-V263 HydrophobicContact CD2-CG1 4.46Å; Y225-V263 HydrophobicContact CE1-CB 3.93Å; Y225-V263 HydrophobicContact CE1-CG1 3.8Å; Y225-V263 HydrophobicContact CE2-CB 4.43Å; Y225-V263 HydrophobicContact CE2-CG1 3.77Å; Y225-V263 VanDerWaalsContact CZ-CG1 3.41Å; Y225-V263 VanDerWaalsContact OH-CB 3.26Å; Y225-V263 WeakPolarHBondContact OH-CB 3.46Å; Y225-V263 WeakPolarHBondContact OH-CG2 3.15Å; Y225-I266 HydrophobicContact CD1-CD1 3.59Å; Y225-I266 HydrophobicContact CD1-CG2 4.43Å; Y225-I266 HydrophobicContact CE1-CB 4.16Å; Y225-I266 HydrophobicContact CE1-CD1 3.69Å; Y225-I266 HydrophobicContact CE1-CG2 3.95Å
226	V	95.1	Very high	93.5	Very high	62 Å²	62	48.3 Å²	48.3	38%	0.376	24%	0.243	S	C	.	.	H	α-helix	trans	-60.1	-49	179.4	172.4	0	0	0	0	110.7	Q222 H223 S228 Q229 V230 I266	Q222-V226 WeakPolarHBondContact O-CG2 3.48Å; Q222-V226 PolarHBondContact O-N 2.91Å; H223-V226 PolarHBondContact O-N 3.24Å; V226-S228 PolarHBondContact O-N 2.97Å; V226-Q229 PolarHBondContact O-N 2.94Å; V226-V230 HydrophobicContact CG1-CG2 4.35Å; V226-V230 WeakPolarHBondContact O-CB 3.45Å; V226-V230 VanDerWaalsContact O-CG2 3.23Å; V226-V230 WeakPolarHBondContact O-CG2 3.38Å; V226-V230 PolarHBondContact O-N 3.04Å; V226-I266 HydrophobicContact CG2-CD1 3.61Å; V226-I266 HydrophobicContact CG2-CG1 4.22Å
227	Y	95.2	Very high	93.5	Very high	79 Å²	79	49.8 Å²	49.8	31%	0.31	26%	0.255	S	S	.	.	H	α-helix	trans	-56.3	-50.4	178.6	174	-95.4	0	0	0	111.6	I186 F189 S190 L193 H223 Y225 V230 L231	I186-Y227 HydrophobicContact CD1-CD1 3.79Å; I186-Y227 HydrophobicContact CD1-CD2 3.66Å; I186-Y227 HydrophobicContact CD1-CE1 4.09Å; I186-Y227 HydrophobicContact CD1-CE2 3.95Å; I186-Y227 HydrophobicContact CD1-CG 3.58Å; I186-Y227 HydrophobicContact CG1-CD2 4.11Å; I186-Y227 HydrophobicContact CG1-CE2 3.98Å; I186-Y227 HydrophobicContact CG1-CG 4.49Å; F189-Y227 HydrophobicContact CD1-CD1 4.02Å; F189-Y227 HydrophobicContact CD1-CE1 4.27Å; F189-Y227 AromaticContact CE1-CD1 3.94Å; F189-Y227 HydrophobicContact CE1-CD1 3.94Å; F189-Y227 HydrophobicContact CE1-CE1 4.44Å; S190-Y227 PolarHBondContact OG-OH 2.68Å; L193-Y227 HydrophobicContact CD2-CE1 4.31Å; H223-Y227 WeakPolarHBondContact O-CB 3.1Å; H223-Y227 PolarHBondContact O-N 3.08Å; Y225-Y227 PolarHBondContact O-N 3.4Å; Y227-V230 PolarHBondContact O-N 2.95Å; Y227-L231 HydrophobicContact CE1-CD2 4.26Å; Y227-L231 WeakPolarHBondContact O-CB 3.45Å; Y227-L231 PolarHBondContact O-N 3.33Å
228	S	96	Very high	93.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-43.4	-177.8	-53.8	0	0	0	0	111.9	F189 T224 Y225 V226 L231 I232	F189-S228 WeakPolarHBondContact CE1-OG 3.37Å; T224-S228 VanDerWaalsContact O-CB 3.25Å; T224-S228 WeakPolarHBondContact O-CB 3.38Å; T224-S228 PolarHBondContact O-N 3.31Å; T224-S228 PolarHBondContact O-OG 3.21Å; Y225-S228 PolarHBondContact O-N 3.47Å; V226-S228 PolarHBondContact O-N 2.97Å; S228-L231 PolarHBondContact O-N 2.75Å; S228-I232 WeakPolarHBondContact O-CB 3.16Å; S228-I232 WeakPolarHBondContact O-CD1 3.17Å; S228-I232 WeakPolarHBondContact O-CG1 3.47Å; S228-I232 PolarHBondContact O-N 3.35Å
229	Q	95.6	Very high	93.3	Very high	3 Å²	3	64.1 Å²	64.1	1%	0.014	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-38.1	179.4	-74.5	-69.9	-9.5	0	0	112.1	Y225 V226 Q233 S249 I252 L270	Y225-Q229 HydrophobicContact CD1-CG 4.12Å; Y225-Q229 HydrophobicContact CD2-CG 4.46Å; Y225-Q229 HydrophobicContact CE1-CG 3.68Å; Y225-Q229 HydrophobicContact CE2-CG 4.05Å; Y225-Q229 HydrophobicContact CG-CG 4.48Å; Y225-Q229 WeakPolarHBondContact O-CB 3.48Å; Y225-Q229 WeakPolarHBondContact O-CG 3.22Å; Y225-Q229 PolarHBondContact O-N 3.35Å; V226-Q229 PolarHBondContact O-N 2.94Å; Q229-Q233 WeakPolarHBondContact O-CB 3.35Å; Q229-Q233 PolarHBondContact O-N 3.5Å; Q229-S249 PolarHBondContact OE1-OG 2.91Å; Q229-I252 VanDerWaalsContact NE2-CG2 3.27Å; Q229-L270 HydrophobicContact CB-CD1 3.76Å
230	V	95.2	Very high	93.2	Very high	66 Å²	66	73.1 Å²	73.1	40%	0.4	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-47.5	172.9	172	0	0	0	0	110.5	V226 Y227 Q233 V234 L270	V226-V230 HydrophobicContact CG1-CG2 4.35Å; V226-V230 WeakPolarHBondContact O-CB 3.45Å; V226-V230 VanDerWaalsContact O-CG2 3.23Å; V226-V230 WeakPolarHBondContact O-CG2 3.38Å; V226-V230 PolarHBondContact O-N 3.04Å; Y227-V230 PolarHBondContact O-N 2.95Å; V230-Q233 WeakPolarHBondContact O-CB 3.49Å; V230-Q233 PolarHBondContact O-N 2.65Å; V230-V234 WeakPolarHBondContact O-CG2 3.34Å; V230-V234 PolarHBondContact O-N 3.15Å; V230-L270 HydrophobicContact CG2-CD2 3.81Å
231	L	95.7	Very high	93.1	Very high	56 Å²	56	69.7 Å²	69.7	29%	0.293	35%	0.351	S	S	.	.	H	α-helix	trans	-59.8	-49.5	178.6	180	66.8	0	0	0	111.5	L193 Y227 S228 Q233 V234 L235	L193-L231 HydrophobicContact CD2-CD2 3.88Å; Y227-L231 HydrophobicContact CE1-CD2 4.26Å; Y227-L231 WeakPolarHBondContact O-CB 3.45Å; Y227-L231 PolarHBondContact O-N 3.33Å; S228-L231 PolarHBondContact O-N 2.75Å; L231-Q233 VanDerWaalsContact C-N 3.29Å; L231-Q233 PolarHBondContact O-N 3.49Å; L231-V234 PolarHBondContact O-N 3.21Å; L231-L235 HydrophobicContact CG-CD1 4.17Å; L231-L235 WeakPolarHBondContact O-CG 3.4Å; L231-L235 PolarHBondContact O-N 2.8Å
232	I	95.8	Very high	93.3	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62.7	-38.1	178.4	-67.3	166.4	0	0	0	110.5	S228 L235 S236 M245 L248 I252	S228-I232 WeakPolarHBondContact O-CB 3.16Å; S228-I232 WeakPolarHBondContact O-CD1 3.17Å; S228-I232 WeakPolarHBondContact O-CG1 3.47Å; S228-I232 PolarHBondContact O-N 3.35Å; I232-L235 CarbonylContact O-C 3.59Å; I232-L235 PolarHBondContact O-N 2.92Å; I232-S236 WeakPolarHBondContact O-CB 3.34Å; I232-S236 PolarHBondContact O-N 3.14Å; I232-M245 HydrophobicContact CG2-CB 4.1Å; I232-M245 WeakPolarHBondContact CG2-O 3.25Å; I232-L248 HydrophobicContact CD1-CD2 4.21Å; I232-L248 HydrophobicContact CD1-CG 4.44Å; I232-I252 HydrophobicContact CD1-CD1 3.54Å
233	Q	93.4	Very high	93.3	Very high	50 Å²	50	67.5 Å²	67.5	23%	0.234	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-42.8	175.9	-178.6	63.8	13.3	0	0	111.6	Q229 V230 L231 S236 L270	Q229-Q233 WeakPolarHBondContact O-CB 3.35Å; Q229-Q233 PolarHBondContact O-N 3.5Å; V230-Q233 WeakPolarHBondContact O-CB 3.49Å; V230-Q233 PolarHBondContact O-N 2.65Å; L231-Q233 VanDerWaalsContact C-N 3.29Å; L231-Q233 PolarHBondContact O-N 3.49Å; Q233-S236 PolarHBondContact O-N 2.89Å; Q233-S236 PolarHBondContact O-OG 2.7Å; Q233-L270 HydrophobicContact CG-CB 4.44Å
234	V	94.2	Very high	93.4	Very high	91 Å²	91	65.4 Å²	65.4	55%	0.552	33%	0.327	S	S	*	.	H	α-helix	trans	-61.7	-48.6	174	173.1	0	0	0	0	110.3	V230 L231 S236 Q237	V230-V234 WeakPolarHBondContact O-CG2 3.34Å; V230-V234 PolarHBondContact O-N 3.15Å; L231-V234 PolarHBondContact O-N 3.21Å; V234-S236 PolarHBondContact O-N 2.91Å; V234-Q237 WeakPolarHBondContact O-CB 3.42Å; V234-Q237 PolarHBondContact O-N 3.31Å; V234-Q237 VanDerWaalsContact O-N 3.16Å
235	L	94.9	Very high	93.5	Very high	62 Å²	62	66 Å²	66	33%	0.325	33%	0.33	S	S	.	.	H	α-helix	trans	-64.4	-26.1	178.4	-64.6	172.3	0	0	0	113	L231 I232 Q237 E238 G242 M245	L231-L235 HydrophobicContact CG-CD1 4.17Å; L231-L235 WeakPolarHBondContact O-CG 3.4Å; L231-L235 PolarHBondContact O-N 2.8Å; I232-L235 CarbonylContact O-C 3.59Å; I232-L235 PolarHBondContact O-N 2.92Å; L235-Q237 PolarHBondContact O-N 3.35Å; L235-E238 VanDerWaalsContact O-CB 3.31Å; L235-E238 WeakPolarHBondContact O-CB 3.49Å; L235-E238 PolarHBondContact O-N 3.29Å; L235-E238 VanDerWaalsContact O-N 3.15Å; L235-G242 WeakPolarHBondContact O-CA 3.22Å; L235-M245 HydrophobicContact CB-CB 4.3Å; L235-M245 HydrophobicContact CB-CG 3.83Å; L235-M245 HydrophobicContact CB-SD 4.44Å; L235-M245 HydrophobicContact CD1-SD 4.31Å
236	S	93.1	Very high	93.3	Very high	19 Å²	19	69.8 Å²	69.8	13%	0.133	35%	0.346	C	S	.	.	H	α-helix	trans	-67.3	-19.1	177.7	79.5	0	0	0	0	113.5	I232 Q233 V234 E238 G242	I232-S236 WeakPolarHBondContact O-CB 3.34Å; I232-S236 PolarHBondContact O-N 3.14Å; Q233-S236 PolarHBondContact O-N 2.89Å; Q233-S236 PolarHBondContact O-OG 2.7Å; V234-S236 PolarHBondContact O-N 2.91Å; S236-E238 VanDerWaalsContact C-N 3.29Å; S236-G242 WeakPolarHBondContact CA-O 3.41Å; S236-G242 WeakPolarHBondContact O-CA 3.44Å
237	Q	90.4	Very high	93.2	Very high	140 Å²	140	72.7 Å²	72.7	65%	0.654	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-9.5	176.2	-55.2	-57.4	-33.1	0	0	112.7	V234 L235 Q239	V234-Q237 WeakPolarHBondContact O-CB 3.42Å; V234-Q237 PolarHBondContact O-N 3.31Å; V234-Q237 VanDerWaalsContact O-N 3.16Å; L235-Q237 PolarHBondContact O-N 3.35Å; Q237-Q239 PolarHBondContact O-N 2.86Å
238	E	92.9	Very high	93.1	Very high	118 Å²	118	69 Å²	69	55%	0.551	34%	0.336	S	S	*	.			trans	-68.7	131.3	177.6	-69.3	-61.8	148.9	0	0	111.3	L235 S236 K240 G242	L235-E238 VanDerWaalsContact O-CB 3.31Å; L235-E238 WeakPolarHBondContact O-CB 3.49Å; L235-E238 PolarHBondContact O-N 3.29Å; L235-E238 VanDerWaalsContact O-N 3.15Å; S236-E238 VanDerWaalsContact C-N 3.29Å; E238-K240 PolarHBondContact O-N 2.83Å; E238-G242 VanDerWaalsContact O-CA 3.25Å; E238-G242 WeakPolarHBondContact O-CA 3.25Å; E238-G242 PolarHBondContact O-N 3.31Å; E238-G242 VanDerWaalsContact O-N 3.13Å
239	Q	89.4	Confident	93.1	Very high	195 Å²	195	69.6 Å²	69.6	91%	0.911	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.2	-177.9	-66.2	-178.5	-0.8	0	0	112.4	Q237	Q237-Q239 PolarHBondContact O-N 2.86Å
240	K	90.9	Very high	93	Very high	199 Å²	199	71.9 Å²	71.9	87%	0.865	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	115.2	178.2	-66.3	-173.8	-179.2	-177.9	0	109.1	E238 G242	E238-K240 PolarHBondContact O-N 2.83Å; K240-G242 VanDerWaalsContact C-N 3.27Å; K240-G242 PolarHBondContact O-N 3.43Å
241	G	88.3	Confident	92.9	Very high	26 Å²	26	69.7 Å²	69.7	27%	0.268	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-5.2	175.8	0	0	0	0	0	115.5	F243 N244 M245	G241-F243 PolarHBondContact O-N 3.42Å; G241-F243 VanDerWaalsContact O-N 3.16Å; G241-N244 WeakPolarHBondContact O-CB 3.28Å; G241-N244 PolarHBondContact O-N 3Å; G241-M245 PolarHBondContact O-N 3.47Å
242	G	93.2	Very high	92.9	Very high	3 Å²	3	67 Å²	67	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-57.5	-30.7	177.1	0	0	0	0	0	113.6	L235 S236 E238 K240 N244 M245 K246	L235-G242 WeakPolarHBondContact O-CA 3.22Å; S236-G242 WeakPolarHBondContact CA-O 3.41Å; S236-G242 WeakPolarHBondContact O-CA 3.44Å; E238-G242 VanDerWaalsContact O-CA 3.25Å; E238-G242 WeakPolarHBondContact O-CA 3.25Å; E238-G242 PolarHBondContact O-N 3.31Å; E238-G242 VanDerWaalsContact O-N 3.13Å; K240-G242 VanDerWaalsContact C-N 3.27Å; K240-G242 PolarHBondContact O-N 3.43Å; G242-N244 PolarHBondContact O-N 3.07Å; G242-M245 WeakPolarHBondContact O-CB 3.33Å; G242-M245 PolarHBondContact O-N 2.97Å; G242-K246 PolarHBondContact O-N 3.07Å
243	F	91.4	Very high	92.9	Very high	142 Å²	142	68 Å²	68	62%	0.623	33%	0.328	S	S	*	.	H	α-helix	trans	-64.4	-35.5	173.5	68.3	-90.2	0	0	0	113.2	G241 M245 K246 R247	G241-F243 PolarHBondContact O-N 3.42Å; G241-F243 VanDerWaalsContact O-N 3.16Å; F243-M245 VanDerWaalsContact C-N 3.31Å; F243-K246 PolarHBondContact O-N 3.43Å; F243-R247 WeakPolarHBondContact O-CB 3.42Å; F243-R247 PolarHBondContact O-N 3.36Å
244	N	92	Very high	92.9	Very high	54 Å²	54	70.1 Å²	70.1	29%	0.289	34%	0.336	S	S	.	.	H	α-helix	trans	-66	-37.8	174.3	-68.8	-37	0	0	0	110.7	F200 L201 G241 G242 R247 L248	F200-N244 HydrophobicContact CE1-CB 4.4Å; L201-N244 HydrophobicContact CD2-CB 4Å; G241-N244 WeakPolarHBondContact O-CB 3.28Å; G241-N244 PolarHBondContact O-N 3Å; G242-N244 PolarHBondContact O-N 3.07Å; N244-R247 PolarHBondContact O-N 3.47Å; N244-L248 WeakPolarHBondContact O-CB 3.44Å; N244-L248 PolarHBondContact O-N 3.41Å
245	M	94.8	Very high	92.9	Very high	13 Å²	13	67.6 Å²	67.6	6%	0.064	32%	0.317	C	S	.	.	H	α-helix	trans	-69.1	-41.6	176.4	-63.4	-60.8	100.2	0	0	111.6	I197 F200 L201 I232 L235 G241 G242 F243 R247 L248 S249	I197-M245 HydrophobicContact CG2-CE 3.85Å; I197-M245 HydrophobicContact CG2-SD 4.05Å; F200-M245 HydrophobicContact CD1-CE 4.42Å; F200-M245 HydrophobicContact CE1-CE 4.07Å; L201-M245 HydrophobicContact CD1-CE 4.16Å; L201-M245 HydrophobicContact CD2-CE 3.91Å; L201-M245 HydrophobicContact CG-CE 4.27Å; I232-M245 HydrophobicContact CG2-CB 4.1Å; I232-M245 WeakPolarHBondContact CG2-O 3.25Å; L235-M245 HydrophobicContact CB-CB 4.3Å; L235-M245 HydrophobicContact CB-CG 3.83Å; L235-M245 HydrophobicContact CB-SD 4.44Å; L235-M245 HydrophobicContact CD1-SD 4.31Å; G241-M245 PolarHBondContact O-N 3.47Å; G242-M245 WeakPolarHBondContact O-CB 3.33Å; G242-M245 PolarHBondContact O-N 2.97Å; F243-M245 VanDerWaalsContact C-N 3.31Å; M245-R247 VanDerWaalsContact C-N 3.29Å; M245-R247 PolarHBondContact O-N 3.46Å; M245-L248 HydrophobicContact CE-CD2 4.42Å; M245-L248 PolarHBondContact O-N 3.44Å; M245-S249 PolarHBondContact O-N 2.99Å
246	K	92.7	Very high	92.8	Very high	88 Å²	88	64.6 Å²	64.6	38%	0.383	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-42.5	172.2	-166.5	170.6	-175.5	172.4	0	110.9	G242 F243 S249 Q250 D313	G242-K246 PolarHBondContact O-N 3.07Å; F243-K246 PolarHBondContact O-N 3.43Å; K246-S249 PolarHBondContact O-N 2.96Å; K246-Q250 VanDerWaalsContact O-CG 3.3Å; K246-Q250 WeakPolarHBondContact O-CG 3.36Å; K246-Q250 PolarHBondContact O-N 3.15Å; K246-Q250 VanDerWaalsContact O-N 3.14Å; K246-D313 IonicContact NZ-OD1 2.68Å; K246-D313 PolarHBondContact NZ-OD1 2.84Å
247	R	91.4	Very high	92.8	Very high	123 Å²	123	66.1 Å²	66.1	46%	0.464	31%	0.308	S	S	.	.	H	α-helix	trans	-63.6	-45	175.7	-177.5	59.9	176.4	137.5	11.5	112.2	F243 N244 M245 S249 Q250 E251	F243-R247 WeakPolarHBondContact O-CB 3.42Å; F243-R247 PolarHBondContact O-N 3.36Å; N244-R247 PolarHBondContact O-N 3.47Å; M245-R247 VanDerWaalsContact C-N 3.29Å; M245-R247 PolarHBondContact O-N 3.46Å; R247-S249 PolarHBondContact O-N 3.22Å; R247-Q250 WeakPolarHBondContact O-CB 3.45Å; R247-Q250 PolarHBondContact O-N 3.15Å; R247-E251 IonicContact CZ-OE1 3.94Å; R247-E251 IonicContact NH1-OE1 2.93Å; R247-E251 PolarHBondContact NH1-OE1 3.2Å; R247-E251 IonicContact NH2-OE1 2.66Å; R247-E251 PolarHBondContact NH2-OE1 2.99Å; R247-E251 PolarHBondContact O-N 3.15Å
248	L	94.2	Very high	92.9	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-45	176.3	179.2	62.2	0	0	0	111.6	I197 F200 I211 I232 N244 M245 Q250 E251 I252	I197-L248 HydrophobicContact CD1-CD2 4.38Å; I197-L248 HydrophobicContact CG1-CD2 3.9Å; F200-L248 HydrophobicContact CD1-CD2 4.31Å; F200-L248 HydrophobicContact CE1-CB 4.26Å; I211-L248 HydrophobicContact CG1-CD1 4.36Å; I232-L248 HydrophobicContact CD1-CD2 4.21Å; I232-L248 HydrophobicContact CD1-CG 4.44Å; N244-L248 WeakPolarHBondContact O-CB 3.44Å; N244-L248 PolarHBondContact O-N 3.41Å; M245-L248 HydrophobicContact CE-CD2 4.42Å; M245-L248 PolarHBondContact O-N 3.44Å; L248-Q250 VanDerWaalsContact C-N 3.29Å; L248-Q250 PolarHBondContact O-N 3.26Å; L248-E251 PolarHBondContact O-N 3.21Å; L248-I252 HydrophobicContact CD1-CD1 4.18Å; L248-I252 HydrophobicContact CD1-CG1 4.33Å; L248-I252 HydrophobicContact CG-CD1 3.91Å; L248-I252 HydrophobicContact CG-CG1 4.49Å; L248-I252 VanDerWaalsContact O-CG1 3.28Å; L248-I252 WeakPolarHBondContact O-CG1 3.33Å; L248-I252 PolarHBondContact O-N 2.9Å
249	S	95.3	Very high	92.8	Very high	14 Å²	14	63.8 Å²	63.8	10%	0.098	30%	0.299	C	S	.	.	H	α-helix	trans	-56	-44.2	175	173.7	0	0	0	0	111.9	Q229 M245 K246 R247 I252 I253	Q229-S249 PolarHBondContact OE1-OG 2.91Å; M245-S249 PolarHBondContact O-N 2.99Å; K246-S249 PolarHBondContact O-N 2.96Å; R247-S249 PolarHBondContact O-N 3.22Å; S249-I252 PolarHBondContact O-N 2.93Å; S249-I253 VanDerWaalsContact O-CG1 3.3Å; S249-I253 WeakPolarHBondContact O-CG1 3.3Å; S249-I253 PolarHBondContact O-N 3.45Å
250	Q	94	Very high	92.8	Very high	51 Å²	51	62 Å²	62	24%	0.238	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-41.5	177.9	-68.6	170.8	-11.5	0	0	112.6	K246 R247 L248 I253 K254 P318	K246-Q250 VanDerWaalsContact O-CG 3.3Å; K246-Q250 WeakPolarHBondContact O-CG 3.36Å; K246-Q250 PolarHBondContact O-N 3.15Å; K246-Q250 VanDerWaalsContact O-N 3.14Å; R247-Q250 WeakPolarHBondContact O-CB 3.45Å; R247-Q250 PolarHBondContact O-N 3.15Å; L248-Q250 VanDerWaalsContact C-N 3.29Å; L248-Q250 PolarHBondContact O-N 3.26Å; Q250-I253 PolarHBondContact O-N 3.32Å; Q250-K254 WeakPolarHBondContact O-CB 3.46Å; Q250-K254 PolarHBondContact O-N 2.93Å; Q250-P318 HydrophobicContact CB-CG 4.23Å; Q250-P318 HydrophobicContact CG-CG 3.76Å
251	E	93.4	Very high	92.8	Very high	20 Å²	20	56.1 Å²	56.1	9%	0.093	27%	0.271	C	S	.	.	H	α-helix	trans	-68.4	-35.5	176.9	-70.7	-62.3	129.1	0	0	112.2	I211 R247 L248 K254 Y255	I211-E251 HydrophobicContact CD1-CG 4.33Å; I211-E251 HydrophobicContact CG2-CB 3.57Å; I211-E251 HydrophobicContact CG2-CG 4.18Å; R247-E251 IonicContact CZ-OE1 3.94Å; R247-E251 IonicContact NH1-OE1 2.93Å; R247-E251 PolarHBondContact NH1-OE1 3.2Å; R247-E251 IonicContact NH2-OE1 2.66Å; R247-E251 PolarHBondContact NH2-OE1 2.99Å; R247-E251 PolarHBondContact O-N 3.15Å; L248-E251 PolarHBondContact O-N 3.21Å; E251-K254 PolarHBondContact O-N 3Å; E251-Y255 WeakPolarHBondContact O-CB 3.45Å; E251-Y255 PolarHBondContact O-N 2.82Å
252	I	95.9	Very high	92.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-43.6	172	-65.9	165.4	0	0	0	110.7	A215 V218 Y225 Q229 I232 L248 S249 K254 Y255 A256	A215-I252 HydrophobicContact CB-CG1 4.06Å; V218-I252 HydrophobicContact CB-CD1 4.47Å; V218-I252 HydrophobicContact CB-CG2 4.3Å; V218-I252 HydrophobicContact CG1-CD1 4.35Å; V218-I252 HydrophobicContact CG1-CG2 3.77Å; V218-I252 HydrophobicContact CG2-CD1 4.21Å; Y225-I252 HydrophobicContact CD2-CG2 4.32Å; Y225-I252 HydrophobicContact CE2-CG2 3.81Å; Q229-I252 VanDerWaalsContact NE2-CG2 3.27Å; I232-I252 HydrophobicContact CD1-CD1 3.54Å; L248-I252 HydrophobicContact CD1-CD1 4.18Å; L248-I252 HydrophobicContact CD1-CG1 4.33Å; L248-I252 HydrophobicContact CG-CD1 3.91Å; L248-I252 HydrophobicContact CG-CG1 4.49Å; L248-I252 VanDerWaalsContact O-CG1 3.28Å; L248-I252 WeakPolarHBondContact O-CG1 3.33Å; L248-I252 PolarHBondContact O-N 2.9Å; S249-I252 PolarHBondContact O-N 2.93Å; I252-K254 VanDerWaalsContact C-N 3.34Å; I252-K254 PolarHBondContact O-N 3.26Å; I252-Y255 PolarHBondContact O-N 2.93Å; I252-A256 PolarHBondContact O-N 3.43Å
253	I	94.5	Very high	92.8	Very high	21 Å²	21	59.3 Å²	59.3	11%	0.108	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-46	175.5	-70.1	162.6	0	0	0	110.2	S249 Q250 Y255 A256 L257 V263 T267	S249-I253 VanDerWaalsContact O-CG1 3.3Å; S249-I253 WeakPolarHBondContact O-CG1 3.3Å; S249-I253 PolarHBondContact O-N 3.45Å; Q250-I253 PolarHBondContact O-N 3.32Å; I253-Y255 VanDerWaalsContact C-N 3.35Å; I253-Y255 PolarHBondContact O-N 3.5Å; I253-A256 PolarHBondContact O-N 3.5Å; I253-L257 HydrophobicContact CG2-CD1 4.01Å; I253-L257 HydrophobicContact CG2-CG 4.42Å; I253-L257 WeakPolarHBondContact O-CG 3.28Å; I253-L257 PolarHBondContact O-N 2.69Å; I253-V263 HydrophobicContact CG1-CG2 4.46Å; I253-V263 HydrophobicContact CG2-CG2 4.01Å; I253-T267 HydrophobicContact CD1-CG2 3.96Å
254	K	93.4	Very high	92.8	Very high	93 Å²	93	52.8 Å²	52.8	40%	0.404	25%	0.254	S	S	.	.	H	α-helix	trans	-58.5	-46.1	177.2	-177.1	-179.6	177.4	-178	0	111.5	Q250 E251 I252 L257 Q258	Q250-K254 WeakPolarHBondContact O-CB 3.46Å; Q250-K254 PolarHBondContact O-N 2.93Å; E251-K254 PolarHBondContact O-N 3Å; I252-K254 VanDerWaalsContact C-N 3.34Å; I252-K254 PolarHBondContact O-N 3.26Å; K254-L257 PolarHBondContact O-N 2.98Å; K254-Q258 WeakPolarHBondContact O-CG 3.34Å; K254-Q258 PolarHBondContact O-N 2.94Å
255	Y	94.4	Very high	92.6	Very high	38 Å²	38	53.8 Å²	53.8	15%	0.149	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-45.2	176.1	-178.9	-89.8	0	0	0	112.1	Q212 A215 R216 C219 E251 I252 I253 L257 Q258 N259	Q212-Y255 HydrophobicContact CG-CD2 4.32Å; Q212-Y255 HydrophobicContact CG-CE2 3.99Å; A215-Y255 HydrophobicContact CB-CD1 3.86Å; A215-Y255 HydrophobicContact CB-CD2 4.08Å; A215-Y255 HydrophobicContact CB-CG 3.59Å; R216-Y255 HydrophobicContact CB-CE1 4.33Å; C219-Y255 HydrophobicContact CB-CD1 4.2Å; C219-Y255 HydrophobicContact CB-CE1 4.22Å; E251-Y255 WeakPolarHBondContact O-CB 3.45Å; E251-Y255 PolarHBondContact O-N 2.82Å; I252-Y255 PolarHBondContact O-N 2.93Å; I253-Y255 VanDerWaalsContact C-N 3.35Å; I253-Y255 PolarHBondContact O-N 3.5Å; Y255-L257 PolarHBondContact O-N 3.31Å; Y255-Q258 PolarHBondContact O-N 3.26Å; Y255-N259 WeakPolarHBondContact CE1-ND2 3.47Å; Y255-N259 VanDerWaalsContact CZ-ND2 3.34Å; Y255-N259 PolarHBondContact O-N 2.9Å; Y255-N259 VanDerWaalsContact O-N 3.13Å; Y255-N259 PolarHBondContact O-ND2 3.48Å
256	A	94.2	Very high	92.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-44.1	177.8	0	0	0	0	0	111.7	Y225 I252 I253 Q258 N259 N260 Q261 V263	Y225-A256 HydrophobicContact CE2-CB 4.34Å; I252-A256 PolarHBondContact O-N 3.43Å; I253-A256 PolarHBondContact O-N 3.5Å; A256-Q258 PolarHBondContact O-N 2.91Å; A256-N259 CarbonylContact O-C 3.59Å; A256-N259 PolarHBondContact O-N 3.33Å; A256-N259 VanDerWaalsContact O-N 3.12Å; A256-N260 PolarHBondContact O-N 2.79Å; A256-Q261 HydrophobicContact CB-CB 4.22Å; A256-Q261 WeakPolarHBondContact O-CB 3.27Å; A256-Q261 PolarHBondContact O-N 3.03Å; A256-V263 HydrophobicContact CB-CG1 3.6Å; A256-V263 HydrophobicContact CB-CG2 4.25Å
257	L	92	Very high	92.3	Very high	51 Å²	51	51.8 Å²	51.8	27%	0.267	26%	0.257	S	S	.	.	H	α-helix	trans	-63.4	-40.7	177	-69	173.1	0	0	0	112.5	I253 K254 Y255 N259 N260 Q319	I253-L257 HydrophobicContact CG2-CD1 4.01Å; I253-L257 HydrophobicContact CG2-CG 4.42Å; I253-L257 WeakPolarHBondContact O-CG 3.28Å; I253-L257 PolarHBondContact O-N 2.69Å; K254-L257 PolarHBondContact O-N 2.98Å; Y255-L257 PolarHBondContact O-N 3.31Å; L257-N259 PolarHBondContact O-N 3.46Å; L257-N260 PolarHBondContact O-N 3.33Å; L257-Q319 HydrophobicContact CD1-CG 4.35Å
258	Q	91.9	Very high	92.1	Very high	131 Å²	131	46.9 Å²	46.9	61%	0.612	24%	0.239	S	C	*	.	H	α-helix	trans	-61.9	-28.7	174.3	-73.8	174.7	-23	0	0	112.6	K254 Y255 A256 N260	K254-Q258 WeakPolarHBondContact O-CG 3.34Å; K254-Q258 PolarHBondContact O-N 2.94Å; Y255-Q258 PolarHBondContact O-N 3.26Å; A256-Q258 PolarHBondContact O-N 2.91Å; Q258-N260 VanDerWaalsContact C-N 3.28Å
259	N	91.6	Very high	91.7	Very high	78 Å²	78	50.7 Å²	50.7	42%	0.417	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	16.1	173.5	-71	-77.2	0	0	0	113.2	Y255 A256 L257 Q261	Y255-N259 WeakPolarHBondContact CE1-ND2 3.47Å; Y255-N259 VanDerWaalsContact CZ-ND2 3.34Å; Y255-N259 PolarHBondContact O-N 2.9Å; Y255-N259 VanDerWaalsContact O-N 3.13Å; Y255-N259 PolarHBondContact O-ND2 3.48Å; A256-N259 CarbonylContact O-C 3.59Å; A256-N259 PolarHBondContact O-N 3.33Å; A256-N259 VanDerWaalsContact O-N 3.12Å; L257-N259 PolarHBondContact O-N 3.46Å; N259-Q261 HydrophobicContact CB-CG 4.35Å; N259-Q261 PolarHBondContact O-N 3.35Å
260	N	90.4	Very high	91.3	Very high	156 Å²	156	52.1 Å²	52.1	83%	0.834	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	25.8	-179	-57.6	-64.7	0	0	0	114.5	A256 L257 Q258	A256-N260 PolarHBondContact O-N 2.79Å; L257-N260 PolarHBondContact O-N 3.33Å; Q258-N260 VanDerWaalsContact C-N 3.28Å
261	Q	90.9	Very high	90.6	Very high	76 Å²	76	52 Å²	52	36%	0.355	28%	0.279	S	S	.	.			trans	-90.5	121.8	175.7	-59.8	179	-13.9	0	0	110.2	C219 A256 N259 V263	C219-Q261 PolarHBondContact O-NE2 3.3Å; A256-Q261 HydrophobicContact CB-CB 4.22Å; A256-Q261 WeakPolarHBondContact O-CB 3.27Å; A256-Q261 PolarHBondContact O-N 3.03Å; N259-Q261 HydrophobicContact CB-CG 4.35Å; N259-Q261 PolarHBondContact O-N 3.35Å; Q261-V263 PolarHBondContact O-N 2.99Å; Q261-V263 VanDerWaalsContact O-N 3.15Å
262	N	89.4	Confident	89.6	Confident	89 Å²	89	54 Å²	54	48%	0.476	30%	0.304	S	S	.	.			trans	-81.2	96.1	176.7	-177.6	4.3	0	0	0	111.4	T264 T288	N262-T264 VanDerWaalsContact OD1-CB 3.31Å; N262-T264 WeakPolarHBondContact OD1-CB 3.39Å; N262-T264 PolarHBondContact OD1-N 3.42Å; N262-T264 VanDerWaalsContact OD1-N 3.12Å; N262-T264 PolarHBondContact OD1-OG1 3.25Å; N262-T288 WeakPolarHBondContact ND2-CG2 3.32Å
263	V	91.8	Very high	88.4	Confident	8 Å²	8	54.1 Å²	54.1	5%	0.048	31%	0.305	C	S	.	.			trans	-95.4	-1	178.3	-62	0	0	0	0	113.9	Y225 I253 A256 Q261 P265 I266 T267	Y225-V263 HydrophobicContact CD1-CG1 4.48Å; Y225-V263 HydrophobicContact CD2-CG1 4.46Å; Y225-V263 HydrophobicContact CE1-CB 3.93Å; Y225-V263 HydrophobicContact CE1-CG1 3.8Å; Y225-V263 HydrophobicContact CE2-CB 4.43Å; Y225-V263 HydrophobicContact CE2-CG1 3.77Å; Y225-V263 VanDerWaalsContact CZ-CG1 3.41Å; Y225-V263 VanDerWaalsContact OH-CB 3.26Å; Y225-V263 WeakPolarHBondContact OH-CB 3.46Å; Y225-V263 WeakPolarHBondContact OH-CG2 3.15Å; I253-V263 HydrophobicContact CG1-CG2 4.46Å; I253-V263 HydrophobicContact CG2-CG2 4.01Å; A256-V263 HydrophobicContact CB-CG1 3.6Å; A256-V263 HydrophobicContact CB-CG2 4.25Å; Q261-V263 PolarHBondContact O-N 2.99Å; Q261-V263 VanDerWaalsContact O-N 3.15Å; V263-P265 VanDerWaalsContact C-CD 3.45Å; V263-I266 PolarHBondContact O-N 3.08Å; V263-I266 VanDerWaalsContact O-N 3.09Å; V263-T267 PolarHBondContact O-N 2.94Å; V263-T267 VanDerWaalsContact O-N 3.14Å; V263-T267 PolarHBondContact O-OG1 3.2Å
264	T	90.3	Very high	87.5	Confident	4 Å²	4	57.3 Å²	57.3	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-52.5	-44.5	-174.8	-56.8	0	0	0	0	113.4	N262 I266 T267 M268 T284 L287	N262-T264 VanDerWaalsContact OD1-CB 3.31Å; N262-T264 WeakPolarHBondContact OD1-CB 3.39Å; N262-T264 PolarHBondContact OD1-N 3.42Å; N262-T264 VanDerWaalsContact OD1-N 3.12Å; N262-T264 PolarHBondContact OD1-OG1 3.25Å; T264-I266 VanDerWaalsContact C-N 3.27Å; T264-I266 PolarHBondContact O-N 2.84Å; T264-T267 PolarHBondContact O-N 3.34Å; T264-M268 HydrophobicContact CG2-CG 3.93Å; T264-M268 WeakPolarHBondContact O-CB 3.49Å; T264-M268 WeakPolarHBondContact O-CG 3.37Å; T264-M268 PolarHBondContact O-N 2.88Å; T264-T284 HydrophobicContact CG2-CG2 4.04Å; T264-L287 HydrophobicContact CG2-CB 3.68Å; T264-L287 HydrophobicContact CG2-CD1 4.14Å
265	P	88.9	Confident	87.1	Confident	76 Å²	76	58.5 Å²	58.5	49%	0.494	35%	0.349	S	S	.	.	H	α-helix	trans	-58.1	-38.9	-179.9	-25.7	35.8	0	0	0	113.2	V263 A269	V263-P265 VanDerWaalsContact C-CD 3.45Å; P265-A269 WeakPolarHBondContact O-CB 3.32Å; P265-A269 PolarHBondContact O-N 3.35Å
266	I	90.5	Very high	86.8	Confident	47 Å²	47	58.6 Å²	58.6	24%	0.241	35%	0.349	C	S	.	.	H	α-helix	trans	-71.6	-47.4	-179.5	-60.5	166.2	0	0	0	109.7	Y225 V226 V263 T264 M268 A269 L270	Y225-I266 HydrophobicContact CD1-CD1 3.59Å; Y225-I266 HydrophobicContact CD1-CG2 4.43Å; Y225-I266 HydrophobicContact CE1-CB 4.16Å; Y225-I266 HydrophobicContact CE1-CD1 3.69Å; Y225-I266 HydrophobicContact CE1-CG2 3.95Å; V226-I266 HydrophobicContact CG2-CD1 3.61Å; V226-I266 HydrophobicContact CG2-CG1 4.22Å; V263-I266 PolarHBondContact O-N 3.08Å; V263-I266 VanDerWaalsContact O-N 3.09Å; T264-I266 VanDerWaalsContact C-N 3.27Å; T264-I266 PolarHBondContact O-N 2.84Å; I266-M268 VanDerWaalsContact C-N 3.28Å; I266-M268 PolarHBondContact O-N 3.49Å; I266-A269 PolarHBondContact O-N 2.91Å; I266-L270 HydrophobicContact CG2-CD1 4.05Å; I266-L270 HydrophobicContact CG2-CG 4.48Å; I266-L270 WeakPolarHBondContact O-CG 3.48Å; I266-L270 PolarHBondContact O-N 3.33Å
267	T	89.8	Confident	86.6	Confident	12 Å²	12	62.6 Å²	62.6	7%	0.074	38%	0.375	C	S	.	.	H	α-helix	trans	-56.9	-42.7	176	-54.5	0	0	0	0	111.6	I253 V263 T264 L270 N271	I253-T267 HydrophobicContact CD1-CG2 3.96Å; V263-T267 PolarHBondContact O-N 2.94Å; V263-T267 VanDerWaalsContact O-N 3.14Å; V263-T267 PolarHBondContact O-OG1 3.2Å; T264-T267 PolarHBondContact O-N 3.34Å; T267-L270 PolarHBondContact O-N 3.31Å; T267-N271 VanDerWaalsContact O-CG 3.24Å; T267-N271 PolarHBondContact O-N 2.93Å; T267-N271 PolarHBondContact O-ND2 2.89Å
268	M	87.6	Confident	86.7	Confident	19 Å²	19	64.9 Å²	64.9	9%	0.094	39%	0.385	C	S	.	.	H	α-helix	trans	-69.3	-37.7	179.4	-66.3	-63.6	110.4	0	0	112.4	T264 I266 N271 L283 T284 L287 L314	T264-M268 HydrophobicContact CG2-CG 3.93Å; T264-M268 WeakPolarHBondContact O-CB 3.49Å; T264-M268 WeakPolarHBondContact O-CG 3.37Å; T264-M268 PolarHBondContact O-N 2.88Å; I266-M268 VanDerWaalsContact C-N 3.28Å; I266-M268 PolarHBondContact O-N 3.49Å; M268-N271 PolarHBondContact O-N 3.35Å; M268-L283 HydrophobicContact CE-CD2 4.02Å; M268-L283 HydrophobicContact SD-CD2 3.88Å; M268-L283 HydrophobicContact SD-CG 4.25Å; M268-T284 WeakPolarHBondContact CG-OG1 3.29Å; M268-L287 HydrophobicContact CE-CD1 3.4Å; M268-L287 HydrophobicContact SD-CD1 4.27Å; M268-L314 HydrophobicContact SD-CD1 4.29Å
269	A	86.2	Confident	86.8	Confident	80 Å²	80	58.7 Å²	58.7	66%	0.661	36%	0.356	S	S	*	.	H	α-helix	trans	-63.5	-40.6	175.3	0	0	0	0	0	112.1	P265 I266	P265-A269 WeakPolarHBondContact O-CB 3.32Å; P265-A269 PolarHBondContact O-N 3.35Å; I266-A269 PolarHBondContact O-N 2.91Å
270	L	86.7	Confident	86.8	Confident	45 Å²	45	55.8 Å²	55.8	24%	0.236	34%	0.342	C	S	.	.	H	α-helix	trans	-73.4	-24.1	-179.2	-66.6	176.5	0	0	0	114	Q229 V230 Q233 I266 T267 G272	Q229-L270 HydrophobicContact CB-CD1 3.76Å; V230-L270 HydrophobicContact CG2-CD2 3.81Å; Q233-L270 HydrophobicContact CG-CB 4.44Å; I266-L270 HydrophobicContact CG2-CD1 4.05Å; I266-L270 HydrophobicContact CG2-CG 4.48Å; I266-L270 WeakPolarHBondContact O-CG 3.48Å; I266-L270 PolarHBondContact O-N 3.33Å; T267-L270 PolarHBondContact O-N 3.31Å; L270-G272 PolarHBondContact O-N 2.89Å; L270-G272 VanDerWaalsContact O-N 3.15Å
271	N	79.9	Confident	86.9	Confident	49 Å²	49	55.3 Å²	55.3	26%	0.262	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-2.9	178.7	-76.7	-18.1	0	0	0	114.2	T267 M268 S273	T267-N271 VanDerWaalsContact O-CG 3.24Å; T267-N271 PolarHBondContact O-N 2.93Å; T267-N271 PolarHBondContact O-ND2 2.89Å; M268-N271 PolarHBondContact O-N 3.35Å; N271-S273 PolarHBondContact O-N 3.45Å; N271-S273 PolarHBondContact O-OG 3.14Å
272	G	70.7	Confident	87.1	Confident	61 Å²	61	51.8 Å²	51.8	63%	0.629	32%	0.318	S	S	*	.			trans	64.3	7.5	172.2	0	0	0	0	0	115.7	L270 A274	L270-G272 PolarHBondContact O-N 2.89Å; L270-G272 VanDerWaalsContact O-N 3.15Å; G272-A274 PolarHBondContact O-N 2.91Å
273	S	71	Confident	87.4	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.014	30%	0.296	C	S	.	.			trans	-86.9	22.2	-173.2	-62.6	0	0	0	0	113.9	N271 V275 Y276 C280	N271-S273 PolarHBondContact O-N 3.45Å; N271-S273 PolarHBondContact O-OG 3.14Å; S273-V275 PolarHBondContact O-N 3.11Å; S273-Y276 PolarHBondContact O-N 3.11Å; S273-C280 VanDerWaalsContact CB-SG 3.59Å; S273-C280 PolarHBondContact O-SG 2.95Å
274	A	76.9	Confident	87.4	Confident	89 Å²	89	49.1 Å²	49.1	74%	0.736	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.9	-177.8	0	0	0	0	0	113.8	G272 Y276	G272-A274 PolarHBondContact O-N 2.91Å; A274-Y276 PolarHBondContact O-N 3.44Å
275	V	83.1	Confident	87.6	Confident	117 Å²	117	50.2 Å²	50.2	71%	0.709	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.4	175.9	-172.6	0	0	0	0	112.7	S273 P277	S273-V275 PolarHBondContact O-N 3.11Å; V275-P277 WeakPolarHBondContact O-CD 3.03Å
276	Y	89.5	Confident	88	Confident	40 Å²	40	46.6 Å²	46.6	16%	0.157	29%	0.29	C	S	.	.			trans	-113.9	66.1	-178.2	-59.2	-87.2	0	0	0	111.8	S273 A274 Q278 A279 C280 D308 P310 P311 R366	S273-Y276 PolarHBondContact O-N 3.11Å; A274-Y276 PolarHBondContact O-N 3.44Å; Y276-Q278 VanDerWaalsContact C-N 3.32Å; Y276-Q278 PolarHBondContact O-N 2.75Å; Y276-A279 PolarHBondContact O-N 3.05Å; Y276-A279 VanDerWaalsContact O-N 3.15Å; Y276-C280 PolarHBondContact O-N 3.09Å; Y276-D308 PolarHBondContact OH-OD1 3.26Å; Y276-D308 PolarHBondContact OH-OD2 3.44Å; Y276-P310 HydrophobicContact CD1-CB 3.98Å; Y276-P310 HydrophobicContact CD1-CG 3.73Å; Y276-P310 HydrophobicContact CD2-CB 3.99Å; Y276-P310 HydrophobicContact CE1-CB 4.41Å; Y276-P310 HydrophobicContact CE1-CG 4.35Å; Y276-P310 HydrophobicContact CE2-CB 4.46Å; Y276-P310 HydrophobicContact CG-CB 3.74Å; Y276-P310 HydrophobicContact CG-CG 3.87Å; Y276-P311 HydrophobicContact CE2-CG 4.46Å; Y276-R366 PolarHBondContact OH-NH2 3.41Å
277	P	90.6	Very high	88.1	Confident	84 Å²	84	44.5 Å²	44.5	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-36.5	-169.1	23.9	-34.9	0	0	0	113.3	V275 C280 Q281	V275-P277 WeakPolarHBondContact O-CD 3.03Å; P277-C280 PolarHBondContact O-N 3.23Å; P277-Q281 VanDerWaalsContact O-CB 3.24Å; P277-Q281 WeakPolarHBondContact O-CB 3.36Å; P277-Q281 PolarHBondContact O-N 3.23Å
278	Q	93.1	Very high	88.3	Confident	100 Å²	100	47.1 Å²	47.1	47%	0.467	30%	0.295	S	S	.	.	H	α-helix	trans	-64.9	-43.4	178.7	-67	-174.1	3.1	0	0	112.2	Y276 A282 V299	Y276-Q278 VanDerWaalsContact C-N 3.32Å; Y276-Q278 PolarHBondContact O-N 2.75Å; Q278-A282 WeakPolarHBondContact O-CB 3.47Å; Q278-A282 PolarHBondContact O-N 3.43Å; Q278-A282 VanDerWaalsContact O-N 3.07Å; Q278-V299 HydrophobicContact CB-CG1 4.21Å
279	A	93	Very high	88.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-69.3	-43.2	178.7	0	0	0	0	0	110.9	Y276 Q281 A282 L283 L300 N303 P310 L314	Y276-A279 PolarHBondContact O-N 3.05Å; Y276-A279 VanDerWaalsContact O-N 3.15Å; A279-Q281 PolarHBondContact O-N 3.43Å; A279-A282 PolarHBondContact O-N 2.65Å; A279-L283 WeakPolarHBondContact O-CB 3.48Å; A279-L283 PolarHBondContact O-N 3.3Å; A279-L300 HydrophobicContact CB-CD2 3.91Å; A279-N303 HydrophobicContact CB-CB 4.47Å; A279-P310 HydrophobicContact CB-CB 4.5Å; A279-P310 HydrophobicContact CB-CG 3.74Å; A279-L314 HydrophobicContact CB-CD2 3.95Å
280	C	92.4	Very high	88.8	Confident	18 Å²	18	53.3 Å²	53.3	12%	0.122	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-44.5	175.2	-72.7	0	0	0	0	112.3	S273 Y276 P277 L283 T284	S273-C280 VanDerWaalsContact CB-SG 3.59Å; S273-C280 PolarHBondContact O-SG 2.95Å; Y276-C280 PolarHBondContact O-N 3.09Å; P277-C280 PolarHBondContact O-N 3.23Å; C280-L283 PolarHBondContact O-N 3.27Å; C280-T284 VanDerWaalsContact O-CB 3.23Å; C280-T284 WeakPolarHBondContact O-CB 3.42Å; C280-T284 PolarHBondContact O-N 3.15Å; C280-T284 PolarHBondContact O-OG1 3.27Å
281	Q	93.1	Very high	89.2	Confident	145 Å²	145	54.5 Å²	54.5	68%	0.678	32%	0.317	S	S	*	.	H	α-helix	trans	-64.5	-46.3	179.1	-174.3	178.5	5.2	0	0	111.5	P277 A279 L283 T284 S285	P277-Q281 VanDerWaalsContact O-CB 3.24Å; P277-Q281 WeakPolarHBondContact O-CB 3.36Å; P277-Q281 PolarHBondContact O-N 3.23Å; A279-Q281 PolarHBondContact O-N 3.43Å; Q281-L283 PolarHBondContact O-N 2.78Å; Q281-T284 PolarHBondContact O-N 3.28Å; Q281-S285 WeakPolarHBondContact O-CB 3.37Å; Q281-S285 PolarHBondContact O-N 3.3Å
282	A	95.1	Very high	90.1	Very high	2 Å²	2	53.5 Å²	53.5	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-44.8	177.5	0	0	0	0	0	111.8	Q278 A279 S285 M286 D296 V299 L300	Q278-A282 WeakPolarHBondContact O-CB 3.47Å; Q278-A282 PolarHBondContact O-N 3.43Å; Q278-A282 VanDerWaalsContact O-N 3.07Å; A279-A282 PolarHBondContact O-N 2.65Å; A282-S285 WeakPolarHBondContact O-CB 3.47Å; A282-M286 PolarHBondContact O-N 2.86Å; A282-D296 HydrophobicContact CB-CB 3.91Å; A282-V299 HydrophobicContact CB-CB 4.18Å; A282-V299 HydrophobicContact CB-CG1 3.99Å; A282-L300 HydrophobicContact CB-CD2 4.24Å; A282-L300 HydrophobicContact CB-CG 4.2Å
283	L	94.5	Very high	91.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.2	-46.9	178.1	-174.9	64.4	0	0	0	112	M268 A279 C280 Q281 S285 M286 L287 L314 F320	M268-L283 HydrophobicContact CE-CD2 4.02Å; M268-L283 HydrophobicContact SD-CD2 3.88Å; M268-L283 HydrophobicContact SD-CG 4.25Å; A279-L283 WeakPolarHBondContact O-CB 3.48Å; A279-L283 PolarHBondContact O-N 3.3Å; C280-L283 PolarHBondContact O-N 3.27Å; Q281-L283 PolarHBondContact O-N 2.78Å; L283-S285 VanDerWaalsContact C-N 3.26Å; L283-S285 PolarHBondContact O-N 3.16Å; L283-M286 PolarHBondContact O-N 3.37Å; L283-M286 VanDerWaalsContact O-N 3.15Å; L283-L287 HydrophobicContact CD1-CD1 4.05Å; L283-L287 HydrophobicContact CD1-CD2 4.42Å; L283-L287 HydrophobicContact CD1-CG 4.01Å; L283-L287 HydrophobicContact CD2-CD1 4.23Å; L283-L287 HydrophobicContact CG-CD1 3.72Å; L283-L287 HydrophobicContact CG-CG 4.09Å; L283-L287 WeakPolarHBondContact O-CB 3.31Å; L283-L287 VanDerWaalsContact O-CG 3.31Å; L283-L287 WeakPolarHBondContact O-CG 3.46Å; L283-L287 PolarHBondContact O-N 3.33Å; L283-L314 HydrophobicContact CD2-CD1 3.65Å; L283-L314 HydrophobicContact CD2-CG 3.81Å; L283-L314 WeakPolarHBondContact CD2-O 3.3Å; L283-F320 HydrophobicContact CD1-CB 3.91Å; L283-F320 HydrophobicContact CD1-CD1 4.17Å; L283-F320 HydrophobicContact CD1-CD2 3.69Å; L283-F320 HydrophobicContact CD1-CE2 4.26Å; L283-F320 HydrophobicContact CD1-CG 3.65Å
284	T	93.3	Very high	92.5	Very high	41 Å²	41	54.8 Å²	54.8	25%	0.252	31%	0.307	S	S	.	.	H	α-helix	trans	-55.5	-44.1	177.1	-58.8	0	0	0	0	111.2	T264 M268 C280 Q281 L287 T288	T264-T284 HydrophobicContact CG2-CG2 4.04Å; M268-T284 WeakPolarHBondContact CG-OG1 3.29Å; C280-T284 VanDerWaalsContact O-CB 3.23Å; C280-T284 WeakPolarHBondContact O-CB 3.42Å; C280-T284 PolarHBondContact O-N 3.15Å; C280-T284 PolarHBondContact O-OG1 3.27Å; Q281-T284 PolarHBondContact O-N 3.28Å; T284-L287 PolarHBondContact O-N 3.06Å; T284-T288 VanDerWaalsContact O-CB 3.23Å; T284-T288 WeakPolarHBondContact O-CB 3.43Å; T284-T288 PolarHBondContact O-N 3.49Å; T284-T288 PolarHBondContact O-OG1 2.99Å
285	S	94.3	Very high	93.5	Very high	27 Å²	27	53.7 Å²	53.7	19%	0.189	30%	0.298	C	S	.	.	H	α-helix	trans	-57.8	-46.3	177.2	166.5	0	0	0	0	112	Q281 A282 L283 R289 D296	Q281-S285 WeakPolarHBondContact O-CB 3.37Å; Q281-S285 PolarHBondContact O-N 3.3Å; A282-S285 WeakPolarHBondContact O-CB 3.47Å; L283-S285 VanDerWaalsContact C-N 3.26Å; L283-S285 PolarHBondContact O-N 3.16Å; S285-R289 VanDerWaalsContact O-CZ 3.24Å; S285-R289 PolarHBondContact O-N 2.92Å; S285-R289 PolarHBondContact O-NH1 2.84Å; S285-R289 PolarHBondContact OG-NH1 3.19Å; S285-R289 PolarHBondContact OG-NH2 3.07Å; S285-D296 WeakPolarHBondContact CB-OD2 3.49Å; S285-D296 PolarHBondContact OG-OD2 3.15Å
286	M	96.3	Very high	94.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-72.4	-42.5	177.6	-69.5	-173	-66.3	0	0	113.6	A282 L283 R289 N290 T291 L292 N293 D296 I297 L300 F320	A282-M286 PolarHBondContact O-N 2.86Å; L283-M286 PolarHBondContact O-N 3.37Å; L283-M286 VanDerWaalsContact O-N 3.15Å; M286-R289 PolarHBondContact O-N 3.12Å; M286-N290 WeakPolarHBondContact O-CA 3.45Å; M286-N290 PolarHBondContact O-N 3.5Å; M286-T291 WeakPolarHBondContact CA-O 3.32Å; M286-T291 WeakPolarHBondContact CB-O 2.92Å; M286-T291 PolarHBondContact O-N 3.49Å; M286-T291 VanDerWaalsContact O-N 3.08Å; M286-L292 HydrophobicContact SD-CB 4.38Å; M286-L292 HydrophobicContact SD-CD2 3.7Å; M286-N293 WeakPolarHBondContact CG-ND2 3.29Å; M286-D296 HydrophobicContact CE-CB 4Å; M286-D296 HydrophobicContact CG-CB 3.88Å; M286-D296 HydrophobicContact SD-CB 3.77Å; M286-I297 HydrophobicContact CE-CD1 4.26Å; M286-I297 HydrophobicContact SD-CD1 4.01Å; M286-I297 HydrophobicContact SD-CG1 4.04Å; M286-L300 HydrophobicContact CE-CD1 3.5Å; M286-L300 VanDerWaalsContact CE-CD1 3.5Å; M286-L300 HydrophobicContact CE-CG 4.39Å; M286-F320 HydrophobicContact CE-CD2 4.21Å; M286-F320 HydrophobicContact CE-CE2 3.54Å; M286-F320 HydrophobicContact CE-CZ 4.32Å; M286-F320 HydrophobicContact SD-CE2 4.3Å
287	L	94.1	Very high	94.6	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-43.1	-179.2	-68.3	178.9	0	0	0	112.2	T264 M268 L283 T284 R289 N290 N317 Q319 F320	T264-L287 HydrophobicContact CG2-CB 3.68Å; T264-L287 HydrophobicContact CG2-CD1 4.14Å; M268-L287 HydrophobicContact CE-CD1 3.4Å; M268-L287 HydrophobicContact SD-CD1 4.27Å; L283-L287 HydrophobicContact CD1-CD1 4.05Å; L283-L287 HydrophobicContact CD1-CD2 4.42Å; L283-L287 HydrophobicContact CD1-CG 4.01Å; L283-L287 HydrophobicContact CD2-CD1 4.23Å; L283-L287 HydrophobicContact CG-CD1 3.72Å; L283-L287 HydrophobicContact CG-CG 4.09Å; L283-L287 WeakPolarHBondContact O-CB 3.31Å; L283-L287 VanDerWaalsContact O-CG 3.31Å; L283-L287 WeakPolarHBondContact O-CG 3.46Å; L283-L287 PolarHBondContact O-N 3.33Å; T284-L287 PolarHBondContact O-N 3.06Å; L287-R289 VanDerWaalsContact C-N 3.27Å; L287-R289 PolarHBondContact O-N 3.33Å; L287-N290 PolarHBondContact O-N 3.14Å; L287-N317 WeakPolarHBondContact CD2-OD1 3.44Å; L287-Q319 HydrophobicContact CD2-CB 3.93Å; L287-Q319 HydrophobicContact CD2-CG 3.94Å; L287-Q319 PolarHBondContact O-NE2 2.79Å; L287-F320 HydrophobicContact CD2-CB 4.02Å
288	T	92.3	Very high	94.9	Very high	68 Å²	68	45.6 Å²	45.6	42%	0.417	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-37.5	177.7	-61	0	0	0	0	111.8	N262 T284 N290	N262-T288 WeakPolarHBondContact ND2-CG2 3.32Å; T284-T288 VanDerWaalsContact O-CB 3.23Å; T284-T288 WeakPolarHBondContact O-CB 3.43Å; T284-T288 PolarHBondContact O-N 3.49Å; T284-T288 PolarHBondContact O-OG1 2.99Å; T288-N290 VanDerWaalsContact C-N 3.34Å
289	R	92.7	Very high	95.1	Very high	129 Å²	129	42.5 Å²	42.5	49%	0.487	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.8	177.6	-67.5	-166.2	-63.9	-84.5	1.6	113.7	S285 M286 L287 T291 N293 D296	S285-R289 VanDerWaalsContact O-CZ 3.24Å; S285-R289 PolarHBondContact O-N 2.92Å; S285-R289 PolarHBondContact O-NH1 2.84Å; S285-R289 PolarHBondContact OG-NH1 3.19Å; S285-R289 PolarHBondContact OG-NH2 3.07Å; M286-R289 PolarHBondContact O-N 3.12Å; L287-R289 VanDerWaalsContact C-N 3.27Å; L287-R289 PolarHBondContact O-N 3.33Å; R289-T291 HydrophobicContact CB-CG2 3.71Å; R289-T291 PolarHBondContact O-N 3.06Å; R289-T291 VanDerWaalsContact O-N 3.15Å; R289-N293 PolarHBondContact NH2-ND2 3.48Å; R289-D296 IonicContact NH2-OD2 3.12Å; R289-D296 PolarHBondContact NH2-OD2 3.33Å
290	N	93.1	Very high	95.4	Very high	99 Å²	99	42.5 Å²	42.5	53%	0.529	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	40.6	-169.9	-162.8	34.9	0	0	0	113.2	M286 L287 T288 Q319	M286-N290 WeakPolarHBondContact O-CA 3.45Å; M286-N290 PolarHBondContact O-N 3.5Å; L287-N290 PolarHBondContact O-N 3.14Å; T288-N290 VanDerWaalsContact C-N 3.34Å; N290-Q319 PolarHBondContact OD1-NE2 2.91Å
291	T	95.3	Very high	95.6	Very high	70 Å²	70	44.6 Å²	44.6	43%	0.429	25%	0.246	S	C	.	.			trans	-153	143	-177	-163.1	0	0	0	0	111.9	M286 R289	M286-T291 WeakPolarHBondContact CA-O 3.32Å; M286-T291 WeakPolarHBondContact CB-O 2.92Å; M286-T291 PolarHBondContact O-N 3.49Å; M286-T291 VanDerWaalsContact O-N 3.08Å; R289-T291 HydrophobicContact CB-CG2 3.71Å; R289-T291 PolarHBondContact O-N 3.06Å; R289-T291 VanDerWaalsContact O-N 3.15Å
292	L	97.1	Very high	95.8	Very high	28 Å²	28	44.5 Å²	44.5	15%	0.147	24%	0.239	C	C	.	.			trans	-83.2	147.6	175.1	-56.8	-176.4	0	0	0	110.6	M286 I297 F320 L323 L324 A327 Y343	M286-L292 HydrophobicContact SD-CB 4.38Å; M286-L292 HydrophobicContact SD-CD2 3.7Å; L292-I297 HydrophobicContact CD1-CD1 4.47Å; L292-I297 HydrophobicContact CD2-CD1 4.31Å; L292-F320 HydrophobicContact CD2-CD2 3.91Å; L292-F320 HydrophobicContact CD2-CE2 3.73Å; L292-L323 HydrophobicContact CD1-CB 4.06Å; L292-L323 WeakPolarHBondContact CD1-O 3.44Å; L292-L323 HydrophobicContact CD2-CB 3.71Å; L292-L323 HydrophobicContact CD2-CD1 3.99Å; L292-L323 HydrophobicContact CD2-CG 4.47Å; L292-L323 HydrophobicContact CG-CB 3.78Å; L292-L324 HydrophobicContact CD1-CD2 3.93Å; L292-L324 HydrophobicContact CD1-CG 4.36Å; L292-A327 HydrophobicContact CD1-CB 4.01Å; L292-Y343 HydrophobicContact CB-CE1 4.15Å; L292-Y343 HydrophobicContact CD1-CD1 3.97Å; L292-Y343 HydrophobicContact CD1-CE1 3.59Å
293	N	95.8	Very high	95.8	Very high	32 Å²	32	46 Å²	46	17%	0.171	25%	0.246	C	C	.	.			trans	-136.4	148.1	169.6	68	90	0	0	0	111.5	M286 R289 A295 D296 I297	M286-N293 WeakPolarHBondContact CG-ND2 3.29Å; R289-N293 PolarHBondContact NH2-ND2 3.48Å; N293-A295 VanDerWaalsContact C-N 3.28Å; N293-A295 PolarHBondContact O-N 3.28Å; N293-A295 PolarHBondContact OD1-N 3.49Å; N293-D296 PolarHBondContact ND2-OD2 3.23Å; N293-D296 PolarHBondContact O-N 2.9Å; N293-D296 WeakPolarHBondContact OD1-CB 3.46Å; N293-D296 PolarHBondContact OD1-N 3.44Å; N293-D296 PolarHBondContact OD1-OD2 3.22Å; N293-I297 WeakPolarHBondContact O-CG1 3.27Å; N293-I297 PolarHBondContact O-N 3.24Å; N293-I297 VanDerWaalsContact O-N 3.09Å
294	P	96.7	Very high	95.9	Very high	59 Å²	59	46 Å²	46	38%	0.383	25%	0.246	S	C	.	.	H	α-helix	trans	-64	-28.8	-171.7	-24	34.4	0	0	0	114.9	T298	P294-T298 WeakPolarHBondContact O-CB 3.16Å; P294-T298 PolarHBondContact O-N 2.65Å; P294-T298 PolarHBondContact O-OG1 2.98Å
295	A	97.3	Very high	96	Very high	65 Å²	65	46.7 Å²	46.7	54%	0.537	25%	0.253	S	S	.	.	H	α-helix	trans	-69.1	-54.2	179.6	0	0	0	0	0	110.9	N293 I297 T298 V299	N293-A295 VanDerWaalsContact C-N 3.28Å; N293-A295 PolarHBondContact O-N 3.28Å; N293-A295 PolarHBondContact OD1-N 3.49Å; A295-I297 VanDerWaalsContact C-N 3.33Å; A295-I297 PolarHBondContact O-N 3.48Å; A295-T298 WeakPolarHBondContact O-CB 3.38Å; A295-T298 PolarHBondContact O-N 3.14Å; A295-T298 VanDerWaalsContact O-N 3.07Å; A295-V299 PolarHBondContact O-N 2.75Å
296	D	97.6	Very high	95.9	Very high	26 Å²	26	46.9 Å²	46.9	14%	0.139	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-37.3	179	-72.4	-27.8	0	0	0	111.9	A282 S285 M286 R289 N293 T298 V299 L300	A282-D296 HydrophobicContact CB-CB 3.91Å; S285-D296 WeakPolarHBondContact CB-OD2 3.49Å; S285-D296 PolarHBondContact OG-OD2 3.15Å; M286-D296 HydrophobicContact CE-CB 4Å; M286-D296 HydrophobicContact CG-CB 3.88Å; M286-D296 HydrophobicContact SD-CB 3.77Å; R289-D296 IonicContact NH2-OD2 3.12Å; R289-D296 PolarHBondContact NH2-OD2 3.33Å; N293-D296 PolarHBondContact ND2-OD2 3.23Å; N293-D296 PolarHBondContact O-N 2.9Å; N293-D296 WeakPolarHBondContact OD1-CB 3.46Å; N293-D296 PolarHBondContact OD1-N 3.44Å; N293-D296 PolarHBondContact OD1-OD2 3.22Å; D296-T298 VanDerWaalsContact C-N 3.32Å; D296-T298 PolarHBondContact O-N 3.31Å; D296-V299 WeakPolarHBondContact O-CB 3.3Å; D296-V299 PolarHBondContact O-N 3.06Å; D296-L300 PolarHBondContact O-N 3.47Å
297	I	98.3	Very high	95.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-41.2	172.2	-70	-70.1	0	0	0	111.6	M286 L292 N293 A295 V299 L300 F301 F320 L324 K342 Y343 L346	M286-I297 HydrophobicContact CE-CD1 4.26Å; M286-I297 HydrophobicContact SD-CD1 4.01Å; M286-I297 HydrophobicContact SD-CG1 4.04Å; L292-I297 HydrophobicContact CD1-CD1 4.47Å; L292-I297 HydrophobicContact CD2-CD1 4.31Å; N293-I297 WeakPolarHBondContact O-CG1 3.27Å; N293-I297 PolarHBondContact O-N 3.24Å; N293-I297 VanDerWaalsContact O-N 3.09Å; A295-I297 VanDerWaalsContact C-N 3.33Å; A295-I297 PolarHBondContact O-N 3.48Å; I297-V299 VanDerWaalsContact C-N 3.32Å; I297-V299 PolarHBondContact O-N 3.27Å; I297-L300 PolarHBondContact O-N 3.5Å; I297-F301 VanDerWaalsContact O-CB 3.29Å; I297-F301 WeakPolarHBondContact O-CB 3.09Å; I297-F301 PolarHBondContact O-N 3.5Å; I297-F320 HydrophobicContact CD1-CE2 4.08Å; I297-F320 HydrophobicContact CD1-CZ 4.15Å; I297-L324 HydrophobicContact CD1-CD2 4.09Å; I297-K342 HydrophobicContact CG2-CB 3.92Å; I297-Y343 HydrophobicContact CB-CE2 4.04Å; I297-Y343 HydrophobicContact CD1-CE1 4.36Å; I297-Y343 HydrophobicContact CG1-CE1 4.12Å; I297-Y343 HydrophobicContact CG1-CE2 3.97Å; I297-Y343 HydrophobicContact CG2-CD2 3.66Å; I297-Y343 HydrophobicContact CG2-CE2 3.59Å; I297-Y343 HydrophobicContact CG2-CG 4.34Å; I297-L346 HydrophobicContact CD1-CD1 3.95Å; I297-L346 HydrophobicContact CG2-CD1 4Å
298	T	98	Very high	95.2	Very high	45 Å²	45	58 Å²	58	28%	0.276	33%	0.33	S	S	.	.	H	α-helix	trans	-66.5	-36.6	177.7	-60.8	0	0	0	0	111.4	P294 A295 D296 R302 H339 K342	P294-T298 WeakPolarHBondContact O-CB 3.16Å; P294-T298 PolarHBondContact O-N 2.65Å; P294-T298 PolarHBondContact O-OG1 2.98Å; A295-T298 WeakPolarHBondContact O-CB 3.38Å; A295-T298 PolarHBondContact O-N 3.14Å; A295-T298 VanDerWaalsContact O-N 3.07Å; D296-T298 VanDerWaalsContact C-N 3.32Å; D296-T298 PolarHBondContact O-N 3.31Å; T298-R302 WeakPolarHBondContact O-CB 3.5Å; T298-R302 PolarHBondContact O-N 2.95Å; T298-H339 PolarHBondContact OG1-ND1 3.44Å; T298-K342 HydrophobicContact CG2-CD 4.44Å; T298-K342 PolarHBondContact OG1-NZ 3.5Å; T298-K342 VanDerWaalsContact OG1-NZ 3.15Å
299	V	97.6	Very high	95.1	Very high	36 Å²	36	55 Å²	55	22%	0.218	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-49.6	173.2	173.1	0	0	0	0	110.8	Q278 A282 A295 D296 I297 R302 N303	Q278-V299 HydrophobicContact CB-CG1 4.21Å; A282-V299 HydrophobicContact CB-CB 4.18Å; A282-V299 HydrophobicContact CB-CG1 3.99Å; A295-V299 PolarHBondContact O-N 2.75Å; D296-V299 WeakPolarHBondContact O-CB 3.3Å; D296-V299 PolarHBondContact O-N 3.06Å; I297-V299 VanDerWaalsContact C-N 3.32Å; I297-V299 PolarHBondContact O-N 3.27Å; V299-R302 PolarHBondContact O-N 2.92Å; V299-N303 WeakPolarHBondContact CG1-ND2 3.43Å; V299-N303 PolarHBondContact O-N 3.4Å; V299-N303 PolarHBondContact O-ND2 3.47Å
300	L	97.5	Very high	95	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-46.7	177.5	-70.8	-176.4	0	0	0	111.5	A279 A282 M286 D296 I297 R302 N303 Y304 I315 F320 L346	A279-L300 HydrophobicContact CB-CD2 3.91Å; A282-L300 HydrophobicContact CB-CD2 4.24Å; A282-L300 HydrophobicContact CB-CG 4.2Å; M286-L300 HydrophobicContact CE-CD1 3.5Å; M286-L300 VanDerWaalsContact CE-CD1 3.5Å; M286-L300 HydrophobicContact CE-CG 4.39Å; D296-L300 PolarHBondContact O-N 3.47Å; I297-L300 PolarHBondContact O-N 3.5Å; L300-R302 VanDerWaalsContact C-N 3.3Å; L300-R302 PolarHBondContact O-N 2.69Å; L300-N303 PolarHBondContact O-N 2.7Å; L300-N303 VanDerWaalsContact O-N 3.12Å; L300-Y304 HydrophobicContact CD2-CE2 4.46Å; L300-Y304 WeakPolarHBondContact O-CD2 3.44Å; L300-Y304 PolarHBondContact O-N 3.03Å; L300-I315 HydrophobicContact CD1-CG2 4.41Å; L300-F320 HydrophobicContact CD1-CE1 4.29Å; L300-F320 HydrophobicContact CD1-CE2 4.07Å; L300-F320 HydrophobicContact CD1-CZ 3.65Å; L300-L346 HydrophobicContact CB-CD1 3.85Å; L300-L346 HydrophobicContact CB-CD2 4.04Å; L300-L346 HydrophobicContact CD1-CD1 4.5Å
301	F	98.1	Very high	94.8	Very high	62 Å²	62	45.8 Å²	45.8	27%	0.272	27%	0.273	S	S	.	.	H	α-helix	trans	-55	-46	177.2	172.6	-97.2	0	0	0	111.8	I297 N303 Y304 S305 K342 F345	I297-F301 VanDerWaalsContact O-CB 3.29Å; I297-F301 WeakPolarHBondContact O-CB 3.09Å; I297-F301 PolarHBondContact O-N 3.5Å; F301-N303 PolarHBondContact O-N 2.95Å; F301-Y304 PolarHBondContact O-N 3.2Å; F301-S305 WeakPolarHBondContact CE2-OG 3.34Å; F301-S305 WeakPolarHBondContact O-CB 3.35Å; F301-S305 PolarHBondContact O-N 3.23Å; F301-S305 PolarHBondContact O-OG 3.44Å; F301-K342 HydrophobicContact CB-CB 4.01Å; F301-K342 HydrophobicContact CB-CG 4.31Å; F301-K342 HydrophobicContact CD1-CD 4.35Å; F301-K342 HydrophobicContact CD1-CG 4.09Å; F301-K342 HydrophobicContact CD2-CB 3.97Å; F301-K342 HydrophobicContact CD2-CG 4.1Å; F301-K342 HydrophobicContact CE1-CG 4.49Å; F301-K342 HydrophobicContact CG-CB 3.95Å; F301-K342 HydrophobicContact CG-CD 4.4Å; F301-K342 HydrophobicContact CG-CG 3.88Å; F301-F345 HydrophobicContact CD2-CB 3.91Å; F301-F345 AromaticContact CD2-CD1 3.45Å; F301-F345 HydrophobicContact CD2-CD1 3.45Å; F301-F345 VanDerWaalsContact CD2-CD1 3.45Å; F301-F345 HydrophobicContact CD2-CE1 4.1Å; F301-F345 AromaticContact CD2-CG 3.73Å; F301-F345 HydrophobicContact CD2-CG 3.73Å; F301-F345 HydrophobicContact CE2-CB 3.83Å; F301-F345 AromaticContact CE2-CD1 3.73Å; F301-F345 HydrophobicContact CE2-CD1 3.73Å; F301-F345 HydrophobicContact CE2-CD2 4.05Å; F301-F345 HydrophobicContact CE2-CE1 4.29Å; F301-F345 AromaticContact CE2-CG 3.59Å; F301-F345 HydrophobicContact CE2-CG 3.59Å
302	R	97.6	Very high	94.6	Very high	143 Å²	143	42.5 Å²	42.5	54%	0.54	25%	0.253	S	S	.	.	H	α-helix	trans	-61.4	-43.4	177.2	-176.7	-179.8	69.6	-166.3	1.2	112	T298 V299 L300 G306	T298-R302 WeakPolarHBondContact O-CB 3.5Å; T298-R302 PolarHBondContact O-N 2.95Å; V299-R302 PolarHBondContact O-N 2.92Å; L300-R302 VanDerWaalsContact C-N 3.3Å; L300-R302 PolarHBondContact O-N 2.69Å; R302-G306 PolarHBondContact O-N 3.23Å; R302-G306 VanDerWaalsContact O-N 3.14Å
303	N	95.2	Very high	94.1	Very high	32 Å²	32	45.1 Å²	45.1	17%	0.171	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-47.5	179.6	-77.1	-69.4	0	0	0	111.6	A279 V299 L300 F301 S305 G306 P309 P310	A279-N303 HydrophobicContact CB-CB 4.47Å; V299-N303 WeakPolarHBondContact CG1-ND2 3.43Å; V299-N303 PolarHBondContact O-N 3.4Å; V299-N303 PolarHBondContact O-ND2 3.47Å; L300-N303 PolarHBondContact O-N 2.7Å; L300-N303 VanDerWaalsContact O-N 3.12Å; F301-N303 PolarHBondContact O-N 2.95Å; N303-S305 VanDerWaalsContact C-N 3.35Å; N303-S305 PolarHBondContact O-N 2.94Å; N303-G306 PolarHBondContact O-N 3Å; N303-P309 WeakPolarHBondContact O-CA 3.46Å; N303-P310 HydrophobicContact CB-CG 4.12Å
304	Y	95.7	Very high	93.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-75.2	-21.6	-179.1	-79	-79.3	0	0	0	114.3	L300 F301 G306 P309 P310 P311 L314 I315 L346 Y349	L300-Y304 HydrophobicContact CD2-CE2 4.46Å; L300-Y304 WeakPolarHBondContact O-CD2 3.44Å; L300-Y304 PolarHBondContact O-N 3.03Å; F301-Y304 PolarHBondContact O-N 3.2Å; Y304-G306 VanDerWaalsContact C-N 3.34Å; Y304-P309 HydrophobicContact CD1-CB 4.05Å; Y304-P310 HydrophobicContact CE1-CB 4.34Å; Y304-P310 WeakPolarHBondContact CE1-O 3.41Å; Y304-P310 HydrophobicContact CE2-CB 4.45Å; Y304-P310 HydrophobicContact CE2-CG 4.16Å; Y304-P311 PolarHBondContact OH-O 3.35Å; Y304-L314 WeakPolarHBondContact OH-CB 3.45Å; Y304-I315 HydrophobicContact CD1-CD1 4.04Å; Y304-I315 HydrophobicContact CD2-CD1 4.17Å; Y304-I315 HydrophobicContact CD2-CG2 4.18Å; Y304-I315 HydrophobicContact CE1-CD1 3.79Å; Y304-I315 HydrophobicContact CE1-CG1 4.04Å; Y304-I315 HydrophobicContact CE2-CB 4.31Å; Y304-I315 HydrophobicContact CE2-CD1 3.95Å; Y304-I315 HydrophobicContact CE2-CG1 4.15Å; Y304-I315 HydrophobicContact CE2-CG2 3.3Å; Y304-I315 HydrophobicContact CG-CD1 4.21Å; Y304-I315 WeakPolarHBondContact OH-CG2 3.42Å; Y304-L346 HydrophobicContact CD2-CD2 4.09Å; Y304-L346 HydrophobicContact CG-CD2 4.49Å; Y304-Y349 AromaticContact CD1-CD1 3.89Å; Y304-Y349 HydrophobicContact CD1-CD1 3.89Å; Y304-Y349 AromaticContact CD1-CE1 3.47Å; Y304-Y349 HydrophobicContact CD1-CE1 3.47Å; Y304-Y349 VanDerWaalsContact CD1-CE1 3.47Å; Y304-Y349 AromaticContact CD1-CZ 3.91Å; Y304-Y349 HydrophobicContact CE1-CD1 4.45Å; Y304-Y349 HydrophobicContact CE1-CE1 4.03Å; Y304-Y349 HydrophobicContact CG-CE1 4.43Å
305	S	94.9	Very high	93.8	Very high	56 Å²	56	40.9 Å²	40.9	39%	0.392	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-10	171.6	-57.7	0	0	0	0	113.2	F301 N303 F345	F301-S305 WeakPolarHBondContact CE2-OG 3.34Å; F301-S305 WeakPolarHBondContact O-CB 3.35Å; F301-S305 PolarHBondContact O-N 3.23Å; F301-S305 PolarHBondContact O-OG 3.44Å; N303-S305 VanDerWaalsContact C-N 3.35Å; N303-S305 PolarHBondContact O-N 2.94Å; S305-F345 WeakPolarHBondContact OG-CE1 3.41Å; S305-F345 WeakPolarHBondContact OG-CZ 3.35Å
306	G	91.6	Very high	93.6	Very high	32 Å²	32	42.2 Å²	42.2	33%	0.33	23%	0.233	S	C	.	.	S	Bend	trans	-72.6	178.1	-179.3	0	0	0	0	0	113.9	R302 N303 Y304	R302-G306 PolarHBondContact O-N 3.23Å; R302-G306 VanDerWaalsContact O-N 3.14Å; N303-G306 PolarHBondContact O-N 3Å; Y304-G306 VanDerWaalsContact C-N 3.34Å
307	S	87.5	Confident	93.3	Very high	134 Å²	134	41.6 Å²	41.6	94%	0.937	23%	0.229	S	C	*	.	S	Bend	trans	-72.3	-29.2	178	53.4	0	0	0	0	113.7
308	D	88.2	Confident	93.1	Very high	102 Å²	102	43.7 Å²	43.7	55%	0.545	24%	0.243	S	C	.	.	S	Bend	trans	-126.6	80.5	177.7	-175.4	27.1	0	0	0	109.9	Y276 R366	Y276-D308 PolarHBondContact OH-OD1 3.26Å; Y276-D308 PolarHBondContact OH-OD2 3.44Å; D308-R366 IonicContact OD1-NH2 3.69Å; D308-R366 PolarHBondContact OD1-NH2 3.02Å
309	P	91.5	Very high	92.9	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.026	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-76.3	147.9	-175.8	31.8	-36	0	0	0	111.4	N303 Y304 R366 L368	N303-P309 WeakPolarHBondContact O-CA 3.46Å; Y304-P309 HydrophobicContact CD1-CB 4.05Å; P309-R366 VanDerWaalsContact O-CZ 3.23Å; P309-R366 PolarHBondContact O-NH1 2.88Å; P309-R366 PolarHBondContact O-NH2 3.24Å; P309-L368 HydrophobicContact CG-CD1 3.34Å
310	P	90.7	Very high	92.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-58.2	165	177.2	-18.9	29.2	0	0	0	113.1	Y276 A279 N303 Y304 I312 L314 R366	Y276-P310 HydrophobicContact CD1-CB 3.98Å; Y276-P310 HydrophobicContact CD1-CG 3.73Å; Y276-P310 HydrophobicContact CD2-CB 3.99Å; Y276-P310 HydrophobicContact CE1-CB 4.41Å; Y276-P310 HydrophobicContact CE1-CG 4.35Å; Y276-P310 HydrophobicContact CE2-CB 4.46Å; Y276-P310 HydrophobicContact CG-CB 3.74Å; Y276-P310 HydrophobicContact CG-CG 3.87Å; A279-P310 HydrophobicContact CB-CB 4.5Å; A279-P310 HydrophobicContact CB-CG 3.74Å; N303-P310 HydrophobicContact CB-CG 4.12Å; Y304-P310 HydrophobicContact CE1-CB 4.34Å; Y304-P310 WeakPolarHBondContact CE1-O 3.41Å; Y304-P310 HydrophobicContact CE2-CB 4.45Å; Y304-P310 HydrophobicContact CE2-CG 4.16Å; P310-I312 PolarHBondContact O-N 2.99Å; P310-L314 HydrophobicContact CB-CD2 4.01Å; P310-R366 PolarHBondContact O-NH1 3.43Å
311	P	88.9	Confident	92.9	Very high	35 Å²	35	43 Å²	43	23%	0.227	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-52	138.2	172.6	-27.5	35.8	0	0	0	111.7	Y276 Y304 D313 L314	Y276-P311 HydrophobicContact CE2-CG 4.46Å; Y304-P311 PolarHBondContact OH-O 3.35Å; P311-D313 PolarHBondContact O-N 3.13Å; P311-L314 WeakPolarHBondContact O-CB 3.47Å; P311-L314 PolarHBondContact O-N 2.93Å
312	I	90.7	Very high	92.8	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-66.4	-30.9	-176.1	-52.7	-169.8	0	0	0	111.4	P310 L314 I315 R316 Y349 V353 D355 L368	P310-I312 PolarHBondContact O-N 2.99Å; I312-L314 PolarHBondContact O-N 3.37Å; I312-L314 VanDerWaalsContact O-N 3.07Å; I312-I315 WeakPolarHBondContact O-CG1 3.35Å; I312-I315 PolarHBondContact O-N 3.4Å; I312-R316 HydrophobicContact CG2-CG 4.09Å; I312-R316 PolarHBondContact O-N 3.19Å; I312-R316 VanDerWaalsContact O-N 3.1Å; I312-Y349 HydrophobicContact CD1-CE1 3.92Å; I312-Y349 HydrophobicContact CG1-CE1 3.99Å; I312-V353 HydrophobicContact CD1-CB 3.77Å; I312-V353 HydrophobicContact CD1-CG1 3.39Å; I312-D355 HydrophobicContact CB-CB 4.45Å; I312-D355 HydrophobicContact CD1-CB 3.66Å; I312-D355 HydrophobicContact CG1-CB 3.82Å; I312-L368 HydrophobicContact CD1-CD2 4.09Å; I312-L368 HydrophobicContact CG1-CD2 4.5Å
313	D	87.2	Confident	92.8	Very high	83 Å²	83	39 Å²	39	44%	0.444	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-54	-29	176.1	-81	-47	0	0	0	113.1	K246 P311 I315 R316	K246-D313 IonicContact NZ-OD1 2.68Å; K246-D313 PolarHBondContact NZ-OD1 2.84Å; P311-D313 PolarHBondContact O-N 3.13Å; D313-I315 PolarHBondContact O-N 3.32Å; D313-R316 PolarHBondContact O-N 2.87Å
314	L	90.3	Very high	92.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-60.5	-42.8	177.7	-177.4	66.8	0	0	0	111.7	M268 A279 L283 Y304 P310 P311 I312	M268-L314 HydrophobicContact SD-CD1 4.29Å; A279-L314 HydrophobicContact CB-CD2 3.95Å; L283-L314 HydrophobicContact CD2-CD1 3.65Å; L283-L314 HydrophobicContact CD2-CG 3.81Å; L283-L314 WeakPolarHBondContact CD2-O 3.3Å; Y304-L314 WeakPolarHBondContact OH-CB 3.45Å; P310-L314 HydrophobicContact CB-CD2 4.01Å; P311-L314 WeakPolarHBondContact O-CB 3.47Å; P311-L314 PolarHBondContact O-N 2.93Å; I312-L314 PolarHBondContact O-N 3.37Å; I312-L314 VanDerWaalsContact O-N 3.07Å
315	I	94.5	Very high	93	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-3.2	177.7	59.6	169.1	0	0	0	114	L300 Y304 I312 D313 N317 F320 L321 Y349 A350	L300-I315 HydrophobicContact CD1-CG2 4.41Å; Y304-I315 HydrophobicContact CD1-CD1 4.04Å; Y304-I315 HydrophobicContact CD2-CD1 4.17Å; Y304-I315 HydrophobicContact CD2-CG2 4.18Å; Y304-I315 HydrophobicContact CE1-CD1 3.79Å; Y304-I315 HydrophobicContact CE1-CG1 4.04Å; Y304-I315 HydrophobicContact CE2-CB 4.31Å; Y304-I315 HydrophobicContact CE2-CD1 3.95Å; Y304-I315 HydrophobicContact CE2-CG1 4.15Å; Y304-I315 HydrophobicContact CE2-CG2 3.3Å; Y304-I315 HydrophobicContact CG-CD1 4.21Å; Y304-I315 WeakPolarHBondContact OH-CG2 3.42Å; I312-I315 WeakPolarHBondContact O-CG1 3.35Å; I312-I315 PolarHBondContact O-N 3.4Å; D313-I315 PolarHBondContact O-N 3.32Å; I315-N317 PolarHBondContact O-N 2.88Å; I315-F320 HydrophobicContact CB-CD1 4.15Å; I315-F320 HydrophobicContact CB-CE1 3.97Å; I315-F320 HydrophobicContact CG2-CD1 4.4Å; I315-F320 HydrophobicContact CG2-CE1 3.97Å; I315-F320 WeakPolarHBondContact O-CD1 3.47Å; I315-L321 WeakPolarHBondContact O-CD2 3.43Å; I315-Y349 HydrophobicContact CD1-CD1 3.94Å; I315-A350 HydrophobicContact CD1-CB 3.99Å; I315-A350 HydrophobicContact CG1-CB 4.1Å
316	R	93.3	Very high	93.1	Very high	94 Å²	94	36.4 Å²	36.4	36%	0.355	21%	0.207	S	C	.	.			trans	-83.3	17.3	167.7	-72.8	179.6	171.3	170.9	2.1	112.9	I312 D313 P318 A350 V353	I312-R316 HydrophobicContact CG2-CG 4.09Å; I312-R316 PolarHBondContact O-N 3.19Å; I312-R316 VanDerWaalsContact O-N 3.1Å; D313-R316 PolarHBondContact O-N 2.87Å; R316-P318 WeakPolarHBondContact O-CD 3.34Å; R316-A350 HydrophobicContact CG-CB 4.28Å; R316-A350 PolarHBondContact NE-O 2.98Å; R316-A350 PolarHBondContact NH2-O 3.39Å; R316-A350 VanDerWaalsContact NH2-O 3.08Å; R316-V353 PolarHBondContact NH2-O 3.33Å
317	N	92.8	Very high	93.3	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.064	20%	0.197	C	C	.	.			trans	-62.2	124.6	171.3	178.3	-79.6	0	0	0	109.8	L287 I315 Q319 F320 L321	L287-N317 WeakPolarHBondContact CD2-OD1 3.44Å; I315-N317 PolarHBondContact O-N 2.88Å; N317-Q319 PolarHBondContact O-N 3.48Å; N317-Q319 WeakPolarHBondContact OD1-CB 3.49Å; N317-Q319 PolarHBondContact OD1-N 3.45Å; N317-Q319 VanDerWaalsContact OD1-N 3.11Å; N317-F320 HydrophobicContact CB-CB 4.09Å; N317-F320 PolarHBondContact O-N 2.92Å; N317-F320 VanDerWaalsContact O-N 3.13Å; N317-F320 PolarHBondContact OD1-N 2.94Å; N317-F320 VanDerWaalsContact OD1-N 3.11Å; N317-L321 WeakPolarHBondContact O-CG 3.22Å; N317-L321 PolarHBondContact O-N 3.35Å
318	P	93.7	Very high	93.7	Very high	44 Å²	44	29.2 Å²	29.2	29%	0.286	15%	0.152	S	C	.	.	H	α-helix	trans	-56.1	-44.3	-175.6	-28.2	35.2	0	0	0	114	Q250 R316 F320 L321 E322	Q250-P318 HydrophobicContact CB-CG 4.23Å; Q250-P318 HydrophobicContact CG-CG 3.76Å; R316-P318 WeakPolarHBondContact O-CD 3.34Å; P318-F320 VanDerWaalsContact C-N 3.35Å; P318-F320 PolarHBondContact O-N 3.45Å; P318-L321 PolarHBondContact O-N 2.85Å; P318-E322 WeakPolarHBondContact O-CB 3.25Å; P318-E322 WeakPolarHBondContact O-CG 3.47Å; P318-E322 PolarHBondContact O-N 3.43Å
319	Q	94.2	Very high	94.1	Very high	19 Å²	19	24.4 Å²	24.4	9%	0.089	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-43	178.6	-176.1	-169.6	-0.2	0	0	111.2	L257 L287 N290 N317 E322 L323	L257-Q319 HydrophobicContact CD1-CG 4.35Å; L287-Q319 HydrophobicContact CD2-CB 3.93Å; L287-Q319 HydrophobicContact CD2-CG 3.94Å; L287-Q319 PolarHBondContact O-NE2 2.79Å; N290-Q319 PolarHBondContact OD1-NE2 2.91Å; N317-Q319 PolarHBondContact O-N 3.48Å; N317-Q319 WeakPolarHBondContact OD1-CB 3.49Å; N317-Q319 PolarHBondContact OD1-N 3.45Å; N317-Q319 VanDerWaalsContact OD1-N 3.11Å; Q319-E322 PolarHBondContact O-N 3.34Å; Q319-L323 VanDerWaalsContact O-CG 3.27Å; Q319-L323 WeakPolarHBondContact O-CG 3.38Å; Q319-L323 PolarHBondContact O-N 3.16Å
320	F	96.5	Very high	94.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.7	-41.3	176.6	-179.2	-116.2	0	0	0	112.6	L283 M286 L287 L292 I297 L300 I315 N317 P318 L323 L324 L346	L283-F320 HydrophobicContact CD1-CB 3.91Å; L283-F320 HydrophobicContact CD1-CD1 4.17Å; L283-F320 HydrophobicContact CD1-CD2 3.69Å; L283-F320 HydrophobicContact CD1-CE2 4.26Å; L283-F320 HydrophobicContact CD1-CG 3.65Å; M286-F320 HydrophobicContact CE-CD2 4.21Å; M286-F320 HydrophobicContact CE-CE2 3.54Å; M286-F320 HydrophobicContact CE-CZ 4.32Å; M286-F320 HydrophobicContact SD-CE2 4.3Å; L287-F320 HydrophobicContact CD2-CB 4.02Å; L292-F320 HydrophobicContact CD2-CD2 3.91Å; L292-F320 HydrophobicContact CD2-CE2 3.73Å; I297-F320 HydrophobicContact CD1-CE2 4.08Å; I297-F320 HydrophobicContact CD1-CZ 4.15Å; L300-F320 HydrophobicContact CD1-CE1 4.29Å; L300-F320 HydrophobicContact CD1-CE2 4.07Å; L300-F320 HydrophobicContact CD1-CZ 3.65Å; I315-F320 HydrophobicContact CB-CD1 4.15Å; I315-F320 HydrophobicContact CB-CE1 3.97Å; I315-F320 HydrophobicContact CG2-CD1 4.4Å; I315-F320 HydrophobicContact CG2-CE1 3.97Å; I315-F320 WeakPolarHBondContact O-CD1 3.47Å; N317-F320 HydrophobicContact CB-CB 4.09Å; N317-F320 PolarHBondContact O-N 2.92Å; N317-F320 VanDerWaalsContact O-N 3.13Å; N317-F320 PolarHBondContact OD1-N 2.94Å; N317-F320 VanDerWaalsContact OD1-N 3.11Å; P318-F320 VanDerWaalsContact C-N 3.35Å; P318-F320 PolarHBondContact O-N 3.45Å; F320-L323 PolarHBondContact O-N 3.13Å; F320-L324 HydrophobicContact CD1-CD1 3.98Å; F320-L324 HydrophobicContact CE1-CD1 3.43Å; F320-L324 VanDerWaalsContact CE1-CD1 3.43Å; F320-L324 HydrophobicContact CE1-CG 4.17Å; F320-L324 HydrophobicContact CE2-CD1 4.38Å; F320-L324 HydrophobicContact CE2-CG 4.24Å; F320-L324 HydrophobicContact CZ-CD1 3.66Å; F320-L324 HydrophobicContact CZ-CD2 4.23Å; F320-L324 HydrophobicContact CZ-CG 3.97Å; F320-L324 PolarHBondContact O-N 3.06Å; F320-L346 HydrophobicContact CZ-CD1 4.34Å
321	L	97.6	Very high	93.9	Very high	47 Å²	47	30.2 Å²	30.2	25%	0.246	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-43.2	176.6	-67.7	177.4	0	0	0	111.6	I315 N317 P318 L323 L324 V325 L347 A350	I315-L321 WeakPolarHBondContact O-CD2 3.43Å; N317-L321 WeakPolarHBondContact O-CG 3.22Å; N317-L321 PolarHBondContact O-N 3.35Å; P318-L321 PolarHBondContact O-N 2.85Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 3.34Å; L321-L324 PolarHBondContact O-N 3.24Å; L321-V325 WeakPolarHBondContact O-CG2 3.44Å; L321-V325 PolarHBondContact O-N 2.76Å; L321-L347 HydrophobicContact CD2-CD1 4.18Å; L321-A350 HydrophobicContact CD2-CB 3.71Å
322	E	96.2	Very high	93.6	Very high	97 Å²	97	31 Å²	31	45%	0.453	17%	0.165	S	C	.	.	H	α-helix	trans	-57.8	-45.1	174.1	-75.7	175.8	-178	0	0	111.2	P318 Q319 L324 V325 D326	P318-E322 WeakPolarHBondContact O-CB 3.25Å; P318-E322 WeakPolarHBondContact O-CG 3.47Å; P318-E322 PolarHBondContact O-N 3.43Å; Q319-E322 PolarHBondContact O-N 3.34Å; E322-L324 PolarHBondContact O-N 3.1Å; E322-V325 PolarHBondContact O-N 2.81Å; E322-D326 WeakPolarHBondContact O-CB 3.41Å; E322-D326 PolarHBondContact O-N 2.98Å
323	L	97.3	Very high	93.6	Very high	24 Å²	24	33.1 Å²	33.1	13%	0.126	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-39.4	176.3	-72.5	173.6	0	0	0	112.8	L292 Q319 F320 L321 A327	L292-L323 HydrophobicContact CD1-CB 4.06Å; L292-L323 WeakPolarHBondContact CD1-O 3.44Å; L292-L323 HydrophobicContact CD2-CB 3.71Å; L292-L323 HydrophobicContact CD2-CD1 3.99Å; L292-L323 HydrophobicContact CD2-CG 4.47Å; L292-L323 HydrophobicContact CG-CB 3.78Å; Q319-L323 VanDerWaalsContact O-CG 3.27Å; Q319-L323 WeakPolarHBondContact O-CG 3.38Å; Q319-L323 PolarHBondContact O-N 3.16Å; F320-L323 PolarHBondContact O-N 3.13Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 3.34Å; L323-A327 WeakPolarHBondContact O-CB 3.35Å; L323-A327 PolarHBondContact O-N 2.86Å
324	L	98.3	Very high	93.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.4	-42.9	176	-77.7	174.8	0	0	0	111.8	L292 I297 F320 L321 E322 A327 L328 Y343 L346 L347	L292-L324 HydrophobicContact CD1-CD2 3.93Å; L292-L324 HydrophobicContact CD1-CG 4.36Å; I297-L324 HydrophobicContact CD1-CD2 4.09Å; F320-L324 HydrophobicContact CD1-CD1 3.98Å; F320-L324 HydrophobicContact CE1-CD1 3.43Å; F320-L324 VanDerWaalsContact CE1-CD1 3.43Å; F320-L324 HydrophobicContact CE1-CG 4.17Å; F320-L324 HydrophobicContact CE2-CD1 4.38Å; F320-L324 HydrophobicContact CE2-CG 4.24Å; F320-L324 HydrophobicContact CZ-CD1 3.66Å; F320-L324 HydrophobicContact CZ-CD2 4.23Å; F320-L324 HydrophobicContact CZ-CG 3.97Å; F320-L324 PolarHBondContact O-N 3.06Å; L321-L324 PolarHBondContact O-N 3.24Å; E322-L324 PolarHBondContact O-N 3.1Å; L324-A327 PolarHBondContact O-N 3.12Å; L324-L328 WeakPolarHBondContact O-CB 3.5Å; L324-L328 WeakPolarHBondContact O-CG 3.13Å; L324-L328 PolarHBondContact O-N 3.01Å; L324-L328 VanDerWaalsContact O-N 3.11Å; L324-Y343 HydrophobicContact CD2-CD1 3.94Å; L324-Y343 HydrophobicContact CD2-CG 4.4Å; L324-L346 HydrophobicContact CD1-CB 4.16Å; L324-L347 HydrophobicContact CB-CB 4.45Å; L324-L347 HydrophobicContact CB-CD1 4.29Å; L324-L347 HydrophobicContact CD1-CB 4.22Å
325	V	97.7	Very high	93.6	Very high	10 Å²	10	40.1 Å²	40.1	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-45.4	176.1	171	0	0	0	0	110.1	L321 E322 A327 L328 F329 L347 V414 R418	L321-V325 WeakPolarHBondContact O-CG2 3.44Å; L321-V325 PolarHBondContact O-N 2.76Å; E322-V325 PolarHBondContact O-N 2.81Å; V325-A327 VanDerWaalsContact C-N 3.35Å; V325-A327 PolarHBondContact O-N 3.25Å; V325-L328 PolarHBondContact O-N 2.89Å; V325-L328 VanDerWaalsContact O-N 3.16Å; V325-F329 HydrophobicContact CG1-CB 4.49Å; V325-F329 HydrophobicContact CG1-CD2 4.34Å; V325-F329 WeakPolarHBondContact O-CB 3.44Å; V325-F329 PolarHBondContact O-N 2.9Å; V325-L347 HydrophobicContact CG2-CD1 4.09Å; V325-L347 HydrophobicContact CG2-CD2 4.16Å; V325-V414 HydrophobicContact CG1-CG1 4.43Å; V325-V414 HydrophobicContact CG2-CG1 4.32Å; V325-R418 HydrophobicContact CG1-CB 3.87Å; V325-R418 HydrophobicContact CG1-CG 4.05Å
326	D	95.8	Very high	93.5	Very high	25 Å²	25	44 Å²	44	13%	0.134	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-44.6	175.9	-90	-36.3	0	0	0	112	E322 L328 R330 R418	E322-D326 WeakPolarHBondContact O-CB 3.41Å; E322-D326 PolarHBondContact O-N 2.98Å; D326-L328 PolarHBondContact O-N 3.3Å; D326-R330 WeakPolarHBondContact O-CB 3.07Å; D326-R330 PolarHBondContact O-N 3.37Å; D326-R330 IonicContact OD1-CZ 3.17Å; D326-R330 IonicContact OD1-NE 3.4Å; D326-R330 PolarHBondContact OD1-NE 3.37Å; D326-R330 IonicContact OD1-NH2 2.74Å; D326-R330 PolarHBondContact OD1-NH2 3.18Å; D326-R330 IonicContact OD2-NH2 3.52Å; D326-R330 PolarHBondContact OD2-NH2 3.3Å; D326-R418 IonicContact OD1-CZ 3.85Å; D326-R418 IonicContact OD1-NH1 3.93Å; D326-R418 PolarHBondContact OD1-NH1 3.03Å; D326-R418 IonicContact OD2-NH1 3.72Å; D326-R418 PolarHBondContact OD2-NH1 3.2Å; D326-R418 VanDerWaalsContact OD2-NH1 3.11Å
327	A	96.3	Very high	93.5	Very high	15 Å²	15	44.5 Å²	44.5	12%	0.124	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-35.6	178	0	0	0	0	0	112.4	L292 L323 L324 V325 I335 Y343	L292-A327 HydrophobicContact CD1-CB 4.01Å; L323-A327 WeakPolarHBondContact O-CB 3.35Å; L323-A327 PolarHBondContact O-N 2.86Å; L324-A327 PolarHBondContact O-N 3.12Å; V325-A327 VanDerWaalsContact C-N 3.35Å; V325-A327 PolarHBondContact O-N 3.25Å; A327-I335 HydrophobicContact CB-CD1 4.11Å; A327-I335 WeakPolarHBondContact O-CD1 3.36Å; A327-Y343 HydrophobicContact CB-CD1 3.98Å; A327-Y343 HydrophobicContact CB-CE1 4.07Å
328	L	96.7	Very high	93.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-95.4	-24	-173.1	-69.3	169.8	0	0	0	114.4	L324 V325 D326 I335 M344 L347 I380 H384	L324-L328 WeakPolarHBondContact O-CB 3.5Å; L324-L328 WeakPolarHBondContact O-CG 3.13Å; L324-L328 PolarHBondContact O-N 3.01Å; L324-L328 VanDerWaalsContact O-N 3.11Å; V325-L328 PolarHBondContact O-N 2.89Å; V325-L328 VanDerWaalsContact O-N 3.16Å; D326-L328 PolarHBondContact O-N 3.3Å; L328-I335 HydrophobicContact CD2-CD1 3.82Å; L328-I335 HydrophobicContact CG-CD1 4.46Å; L328-M344 HydrophobicContact CD1-CG 4.32Å; L328-M344 HydrophobicContact CD2-CE 4.16Å; L328-M344 HydrophobicContact CD2-CG 3.85Å; L328-L347 HydrophobicContact CD1-CB 4.28Å; L328-L347 HydrophobicContact CD1-CD2 3.66Å; L328-I380 HydrophobicContact CD1-CG2 4.31Å; L328-H384 PolarHBondContact O-ND1 3.48Å
329	F	96	Very high	93.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-126.4	-9.4	-171.3	-71.6	-86.8	0	0	0	114.3	V325 L347 I380 A383 C387 G415 W419	V325-F329 HydrophobicContact CG1-CB 4.49Å; V325-F329 HydrophobicContact CG1-CD2 4.34Å; V325-F329 WeakPolarHBondContact O-CB 3.44Å; V325-F329 PolarHBondContact O-N 2.9Å; F329-L347 HydrophobicContact CE2-CD2 4.37Å; F329-I380 HydrophobicContact CE2-CG2 4.34Å; F329-I380 HydrophobicContact CZ-CG2 4.33Å; F329-A383 HydrophobicContact CE1-CB 3.95Å; F329-A383 HydrophobicContact CZ-CB 4.36Å; F329-C387 HydrophobicContact CD1-CB 4.17Å; F329-G415 VanDerWaalsContact CB-O 3.28Å; F329-G415 WeakPolarHBondContact CB-O 3.25Å; F329-G415 VanDerWaalsContact CD1-C 3.48Å; F329-W419 HydrophobicContact CB-CB 4.4Å; F329-W419 VanDerWaalsContact O-CA 3.28Å; F329-W419 WeakPolarHBondContact O-CA 3.31Å; F329-W419 VanDerWaalsContact O-CB 3.25Å; F329-W419 WeakPolarHBondContact O-CB 3.08Å
330	R	91.5	Very high	93.8	Very high	105 Å²	105	51 Å²	51	40%	0.396	27%	0.268	S	S	.	.	S	Bend	trans	-72.3	131.9	170.2	-171.7	-177.3	-65.6	-163.4	-2.4	109.5	D326 V333 N422	D326-R330 WeakPolarHBondContact O-CB 3.07Å; D326-R330 PolarHBondContact O-N 3.37Å; D326-R330 IonicContact OD1-CZ 3.17Å; D326-R330 IonicContact OD1-NE 3.4Å; D326-R330 PolarHBondContact OD1-NE 3.37Å; D326-R330 IonicContact OD1-NH2 2.74Å; D326-R330 PolarHBondContact OD1-NH2 3.18Å; D326-R330 IonicContact OD2-NH2 3.52Å; D326-R330 PolarHBondContact OD2-NH2 3.3Å; R330-V333 HydrophobicContact CB-CG2 3.84Å; R330-V333 HydrophobicContact CG-CG2 4.08Å; R330-N422 HydrophobicContact CG-CB 4.43Å
331	S	85.8	Confident	93.8	Very high	21 Å²	21	54.6 Å²	54.6	15%	0.147	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	148	-179.2	-165.8	0	0	0	0	111.1	V333 D390 N422	S331-V333 PolarHBondContact O-N 3.22Å; S331-D390 PolarHBondContact OG-OD1 3.34Å; S331-N422 WeakPolarHBondContact CB-OD1 3.43Å; S331-N422 PolarHBondContact N-OD1 3.32Å
332	G	84.4	Confident	93.9	Very high	51 Å²	51	53.9 Å²	53.9	53%	0.526	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-4	176.4	0	0	0	0	0	116.2	K334	G332-K334 PolarHBondContact O-N 3.41Å
333	V	88.6	Confident	94	Very high	48 Å²	48	50 Å²	50	29%	0.291	27%	0.267	S	S	.	.			trans	-75.2	111.1	179.4	179.8	0	0	0	0	110.9	R330 S331 I335 N388	R330-V333 HydrophobicContact CB-CG2 3.84Å; R330-V333 HydrophobicContact CG-CG2 4.08Å; S331-V333 PolarHBondContact O-N 3.22Å; V333-I335 HydrophobicContact CG1-CG1 4.47Å; V333-I335 PolarHBondContact O-N 3.4Å; V333-N388 PolarHBondContact O-OD1 3.44Å
334	K	87.9	Confident	94	Very high	201 Å²	201	49 Å²	49	87%	0.874	26%	0.261	S	S	*	.			trans	-87.9	104.9	178.8	-64	-175.8	-177.2	179	0	111.4	G332	G332-K334 PolarHBondContact O-N 3.41Å
335	I	91.1	Very high	94	Very high	30 Å²	30	50.4 Å²	50.4	15%	0.154	27%	0.268	C	S	.	.			trans	-89.9	137	167.7	-48.1	-177.5	0	0	0	109.5	A327 L328 V333 P337 K340 Y343	A327-I335 HydrophobicContact CB-CD1 4.11Å; A327-I335 WeakPolarHBondContact O-CD1 3.36Å; L328-I335 HydrophobicContact CD2-CD1 3.82Å; L328-I335 HydrophobicContact CG-CD1 4.46Å; V333-I335 HydrophobicContact CG1-CG1 4.47Å; V333-I335 PolarHBondContact O-N 3.4Å; I335-P337 WeakPolarHBondContact O-CD 3.36Å; I335-K340 HydrophobicContact CB-CB 4.4Å; I335-K340 HydrophobicContact CG2-CB 4.09Å; I335-Y343 HydrophobicContact CD1-CD1 4.18Å; I335-Y343 HydrophobicContact CD1-CG 4.34Å; I335-Y343 HydrophobicContact CG2-CD2 4.3Å; I335-Y343 HydrophobicContact CG2-CE2 4.17Å
336	N	92.3	Very high	94	Very high	81 Å²	81	50 Å²	50	43%	0.433	27%	0.265	S	S	.	.			trans	-54.4	125.4	169.8	178.7	-16	0	0	0	109.9	E338 H339 K340	N336-E338 PolarHBondContact O-N 3.33Å; N336-E338 VanDerWaalsContact O-N 3.08Å; N336-E338 WeakPolarHBondContact OD1-CB 3.33Å; N336-E338 PolarHBondContact OD1-N 3.18Å; N336-H339 PolarHBondContact O-N 3.11Å; N336-K340 PolarHBondContact O-N 2.98Å
337	P	93.3	Very high	94.2	Very high	105 Å²	105	49 Å²	49	68%	0.682	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-31.3	178.5	-28.7	35.3	0	0	0	114.8	I335 H339 P341	I335-P337 WeakPolarHBondContact O-CD 3.36Å; P337-H339 VanDerWaalsContact C-N 3.32Å; P337-H339 PolarHBondContact O-N 2.72Å; P337-P341 WeakPolarHBondContact O-CD 3.46Å
338	E	94.5	Very high	94.3	Very high	133 Å²	133	48.2 Å²	48.2	62%	0.621	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-32	177.5	-167.5	-167.6	152	0	0	112.7	N336	N336-E338 PolarHBondContact O-N 3.33Å; N336-E338 VanDerWaalsContact O-N 3.08Å; N336-E338 WeakPolarHBondContact OD1-CB 3.33Å; N336-E338 PolarHBondContact OD1-N 3.18Å
339	H	95.5	Very high	94.3	Very high	29 Å²	29	48.2 Å²	48.2	13%	0.134	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-27.5	-178.3	-67.8	-82.7	0	0	0	112.9	T298 N336 P337 K342 Y343	T298-H339 PolarHBondContact OG1-ND1 3.44Å; N336-H339 PolarHBondContact O-N 3.11Å; P337-H339 VanDerWaalsContact C-N 3.32Å; P337-H339 PolarHBondContact O-N 2.72Å; H339-K342 PolarHBondContact ND1-NZ 3.16Å; H339-K342 WeakPolarHBondContact O-CA 3.37Å; H339-K342 WeakPolarHBondContact O-CB 3.44Å; H339-K342 PolarHBondContact O-N 2.8Å; H339-Y343 HydrophobicContact CB-CD2 4.41Å; H339-Y343 HydrophobicContact CB-CE2 3.97Å; H339-Y343 WeakPolarHBondContact O-CD2 3.34Å; H339-Y343 PolarHBondContact O-N 3.31Å
340	K	95.9	Very high	94.4	Very high	50 Å²	50	48.4 Å²	48.4	22%	0.217	26%	0.255	C	S	.	.	H	α-helix	trans	-46	-46.9	-177.9	171	177.1	164.8	173.7	0	114.4	I335 N336 K342 Y343 M344 H384	I335-K340 HydrophobicContact CB-CB 4.4Å; I335-K340 HydrophobicContact CG2-CB 4.09Å; N336-K340 PolarHBondContact O-N 2.98Å; K340-K342 PolarHBondContact O-N 3.11Å; K340-Y343 PolarHBondContact O-N 2.78Å; K340-Y343 VanDerWaalsContact O-N 3.16Å; K340-M344 HydrophobicContact CD-CE 4.12Å; K340-M344 HydrophobicContact CG-CE 3.79Å; K340-M344 HydrophobicContact CG-SD 4.15Å; K340-M344 PolarHBondContact O-N 2.89Å; K340-H384 WeakPolarHBondContact CE-CD2 3.5Å; K340-H384 WeakPolarHBondContact CE-NE2 3.49Å; K340-H384 PolarHBondContact NZ-CD2 3.03Å; K340-H384 PolarHBondContact NZ-NE2 3.37Å
341	P	97.7	Very high	94.6	Very high	75 Å²	75	45.9 Å²	45.9	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-59.1	-30.1	176.6	-25.8	34.9	0	0	0	114.1	P337 F345	P337-P341 WeakPolarHBondContact O-CD 3.46Å; P341-F345 VanDerWaalsContact O-CB 3.31Å; P341-F345 WeakPolarHBondContact O-CB 3.14Å; P341-F345 PolarHBondContact O-N 3.16Å
342	K	98.3	Very high	95.1	Very high	31 Å²	31	45.5 Å²	45.5	14%	0.135	25%	0.251	C	S	.	.	H	α-helix	trans	-71.3	-37.8	179.7	-53	174.4	-172.3	165.4	0	111.4	I297 T298 F301 H339 K340 L346	I297-K342 HydrophobicContact CG2-CB 3.92Å; T298-K342 HydrophobicContact CG2-CD 4.44Å; T298-K342 PolarHBondContact OG1-NZ 3.5Å; T298-K342 VanDerWaalsContact OG1-NZ 3.15Å; F301-K342 HydrophobicContact CB-CB 4.01Å; F301-K342 HydrophobicContact CB-CG 4.31Å; F301-K342 HydrophobicContact CD1-CD 4.35Å; F301-K342 HydrophobicContact CD1-CG 4.09Å; F301-K342 HydrophobicContact CD2-CB 3.97Å; F301-K342 HydrophobicContact CD2-CG 4.1Å; F301-K342 HydrophobicContact CE1-CG 4.49Å; F301-K342 HydrophobicContact CG-CB 3.95Å; F301-K342 HydrophobicContact CG-CD 4.4Å; F301-K342 HydrophobicContact CG-CG 3.88Å; H339-K342 PolarHBondContact ND1-NZ 3.16Å; H339-K342 WeakPolarHBondContact O-CA 3.37Å; H339-K342 WeakPolarHBondContact O-CB 3.44Å; H339-K342 PolarHBondContact O-N 2.8Å; K340-K342 PolarHBondContact O-N 3.11Å; K342-L346 WeakPolarHBondContact O-CG 3.22Å; K342-L346 PolarHBondContact O-N 3.08Å
343	Y	98.3	Very high	95.6	Very high	15 Å²	15	43 Å²	43	6%	0.059	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-48.1	175.4	-73.9	-117.7	0	0	0	110.1	L292 I297 L324 A327 I335 H339 K340 F345 L346 L347	L292-Y343 HydrophobicContact CB-CE1 4.15Å; L292-Y343 HydrophobicContact CD1-CD1 3.97Å; L292-Y343 HydrophobicContact CD1-CE1 3.59Å; I297-Y343 HydrophobicContact CB-CE2 4.04Å; I297-Y343 HydrophobicContact CD1-CE1 4.36Å; I297-Y343 HydrophobicContact CG1-CE1 4.12Å; I297-Y343 HydrophobicContact CG1-CE2 3.97Å; I297-Y343 HydrophobicContact CG2-CD2 3.66Å; I297-Y343 HydrophobicContact CG2-CE2 3.59Å; I297-Y343 HydrophobicContact CG2-CG 4.34Å; L324-Y343 HydrophobicContact CD2-CD1 3.94Å; L324-Y343 HydrophobicContact CD2-CG 4.4Å; A327-Y343 HydrophobicContact CB-CD1 3.98Å; A327-Y343 HydrophobicContact CB-CE1 4.07Å; I335-Y343 HydrophobicContact CD1-CD1 4.18Å; I335-Y343 HydrophobicContact CD1-CG 4.34Å; I335-Y343 HydrophobicContact CG2-CD2 4.3Å; I335-Y343 HydrophobicContact CG2-CE2 4.17Å; H339-Y343 HydrophobicContact CB-CD2 4.41Å; H339-Y343 HydrophobicContact CB-CE2 3.97Å; H339-Y343 WeakPolarHBondContact O-CD2 3.34Å; H339-Y343 PolarHBondContact O-N 3.31Å; K340-Y343 PolarHBondContact O-N 2.78Å; K340-Y343 VanDerWaalsContact O-N 3.16Å; Y343-F345 VanDerWaalsContact C-N 3.33Å; Y343-F345 PolarHBondContact O-N 2.98Å; Y343-L346 PolarHBondContact O-N 3.17Å; Y343-L347 PolarHBondContact O-N 3.19Å
344	M	98.1	Very high	95.7	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-43.6	177.1	-65.2	173.9	165.5	0	0	111.8	L328 K340 L347 A348 I380 E381 H384	L328-M344 HydrophobicContact CD1-CG 4.32Å; L328-M344 HydrophobicContact CD2-CE 4.16Å; L328-M344 HydrophobicContact CD2-CG 3.85Å; K340-M344 HydrophobicContact CD-CE 4.12Å; K340-M344 HydrophobicContact CG-CE 3.79Å; K340-M344 HydrophobicContact CG-SD 4.15Å; K340-M344 PolarHBondContact O-N 2.89Å; M344-L347 PolarHBondContact O-N 3.27Å; M344-A348 VanDerWaalsContact O-CB 3.24Å; M344-A348 WeakPolarHBondContact O-CB 3.31Å; M344-A348 PolarHBondContact O-N 3.38Å; M344-I380 HydrophobicContact CB-CG2 4.31Å; M344-I380 HydrophobicContact CG-CG2 3.97Å; M344-E381 HydrophobicContact CE-CB 4.23Å; M344-E381 HydrophobicContact CE-CG 4.33Å; M344-E381 HydrophobicContact SD-CB 3.96Å; M344-E381 HydrophobicContact SD-CG 4.2Å; M344-H384 HydrophobicContact CE-CB 3.86Å
345	F	98.6	Very high	95.6	Very high	31 Å²	31	37.2 Å²	37.2	14%	0.136	20%	0.202	C	C	.	.	H	α-helix	trans	-58.8	-49.5	175.8	176.2	-89.1	0	0	0	111.7	F301 S305 P341 Y343 L347 A348 Y349 L373 I377	F301-F345 HydrophobicContact CD2-CB 3.91Å; F301-F345 AromaticContact CD2-CD1 3.45Å; F301-F345 HydrophobicContact CD2-CD1 3.45Å; F301-F345 VanDerWaalsContact CD2-CD1 3.45Å; F301-F345 HydrophobicContact CD2-CE1 4.1Å; F301-F345 AromaticContact CD2-CG 3.73Å; F301-F345 HydrophobicContact CD2-CG 3.73Å; F301-F345 HydrophobicContact CE2-CB 3.83Å; F301-F345 AromaticContact CE2-CD1 3.73Å; F301-F345 HydrophobicContact CE2-CD1 3.73Å; F301-F345 HydrophobicContact CE2-CD2 4.05Å; F301-F345 HydrophobicContact CE2-CE1 4.29Å; F301-F345 AromaticContact CE2-CG 3.59Å; F301-F345 HydrophobicContact CE2-CG 3.59Å; S305-F345 WeakPolarHBondContact OG-CE1 3.41Å; S305-F345 WeakPolarHBondContact OG-CZ 3.35Å; P341-F345 VanDerWaalsContact O-CB 3.31Å; P341-F345 WeakPolarHBondContact O-CB 3.14Å; P341-F345 PolarHBondContact O-N 3.16Å; Y343-F345 VanDerWaalsContact C-N 3.33Å; Y343-F345 PolarHBondContact O-N 2.98Å; F345-L347 PolarHBondContact O-N 3.03Å; F345-A348 PolarHBondContact O-N 3.44Å; F345-Y349 AromaticContact CE1-CD2 3.85Å; F345-Y349 HydrophobicContact CE1-CD2 3.85Å; F345-Y349 HydrophobicContact CE1-CG 4.36Å; F345-Y349 HydrophobicContact CE2-CD2 4.31Å; F345-Y349 AromaticContact CZ-CD2 3.58Å; F345-Y349 HydrophobicContact CZ-CD2 3.58Å; F345-Y349 HydrophobicContact CZ-CE2 4.17Å; F345-Y349 HydrophobicContact CZ-CG 4.47Å; F345-Y349 WeakPolarHBondContact O-CB 3.33Å; F345-Y349 PolarHBondContact O-N 2.78Å; F345-L373 HydrophobicContact CE2-CD2 4.03Å; F345-I377 HydrophobicContact CB-CD1 4.5Å; F345-I377 HydrophobicContact CD2-CD1 3.85Å
346	L	98.5	Very high	95.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-42	-177.7	-71.2	172.8	0	0	0	112.1	I297 L300 Y304 F320 L324 K342 Y343 Y349 A350	I297-L346 HydrophobicContact CD1-CD1 3.95Å; I297-L346 HydrophobicContact CG2-CD1 4Å; L300-L346 HydrophobicContact CB-CD1 3.85Å; L300-L346 HydrophobicContact CB-CD2 4.04Å; L300-L346 HydrophobicContact CD1-CD1 4.5Å; Y304-L346 HydrophobicContact CD2-CD2 4.09Å; Y304-L346 HydrophobicContact CG-CD2 4.49Å; F320-L346 HydrophobicContact CZ-CD1 4.34Å; L324-L346 HydrophobicContact CD1-CB 4.16Å; K342-L346 WeakPolarHBondContact O-CG 3.22Å; K342-L346 PolarHBondContact O-N 3.08Å; Y343-L346 PolarHBondContact O-N 3.17Å; L346-Y349 PolarHBondContact O-N 3.42Å; L346-A350 WeakPolarHBondContact O-CB 3.46Å; L346-A350 PolarHBondContact O-N 3.44Å
347	L	98.5	Very high	94	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-48.6	176.8	-177.3	58.4	0	0	0	111.2	L321 L324 V325 L328 F329 Y343 M344 F345 Y349 A350 S351 I380 V411	L321-L347 HydrophobicContact CD2-CD1 4.18Å; L324-L347 HydrophobicContact CB-CB 4.45Å; L324-L347 HydrophobicContact CB-CD1 4.29Å; L324-L347 HydrophobicContact CD1-CB 4.22Å; V325-L347 HydrophobicContact CG2-CD1 4.09Å; V325-L347 HydrophobicContact CG2-CD2 4.16Å; L328-L347 HydrophobicContact CD1-CB 4.28Å; L328-L347 HydrophobicContact CD1-CD2 3.66Å; F329-L347 HydrophobicContact CE2-CD2 4.37Å; Y343-L347 PolarHBondContact O-N 3.19Å; M344-L347 PolarHBondContact O-N 3.27Å; F345-L347 PolarHBondContact O-N 3.03Å; L347-Y349 VanDerWaalsContact C-N 3.32Å; L347-Y349 PolarHBondContact O-N 3.49Å; L347-A350 PolarHBondContact O-N 3.49Å; L347-S351 PolarHBondContact O-N 3.19Å; L347-S351 VanDerWaalsContact O-N 3.09Å; L347-S351 PolarHBondContact O-OG 3.09Å; L347-I380 HydrophobicContact CB-CD1 4.39Å; L347-I380 HydrophobicContact CD2-CD1 4.19Å; L347-I380 HydrophobicContact CG-CD1 4.13Å; L347-V411 HydrophobicContact CD1-CG2 3.65Å; L347-V411 HydrophobicContact CD2-CG2 3.99Å; L347-V411 HydrophobicContact CG-CG2 3.63Å
348	A	98.4	Very high	92.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-38.6	177	0	0	0	0	0	112.5	M344 F345 S351 A352 L373 T376 I377 I380	M344-A348 VanDerWaalsContact O-CB 3.24Å; M344-A348 WeakPolarHBondContact O-CB 3.31Å; M344-A348 PolarHBondContact O-N 3.38Å; F345-A348 PolarHBondContact O-N 3.44Å; A348-S351 WeakPolarHBondContact CA-OG 3.45Å; A348-S351 PolarHBondContact O-N 3.37Å; A348-S351 PolarHBondContact O-OG 2.91Å; A348-S351 VanDerWaalsContact O-OG 3.09Å; A348-A352 VanDerWaalsContact O-CB 3.26Å; A348-A352 WeakPolarHBondContact O-CB 3.24Å; A348-A352 PolarHBondContact O-N 3.41Å; A348-L373 HydrophobicContact CB-CD1 3.81Å; A348-T376 HydrophobicContact CB-CG2 3.82Å; A348-I377 HydrophobicContact CB-CB 4.38Å; A348-I377 HydrophobicContact CB-CD1 4.37Å; A348-I377 HydrophobicContact CB-CG1 3.36Å; A348-I380 HydrophobicContact CB-CD1 3.89Å
349	Y	98	Very high	90.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-47	178.9	-166.1	-74.1	0	0	0	110.6	Y304 I312 I315 F345 L346 L347 S351 V353 K370 L373	Y304-Y349 AromaticContact CD1-CD1 3.89Å; Y304-Y349 HydrophobicContact CD1-CD1 3.89Å; Y304-Y349 AromaticContact CD1-CE1 3.47Å; Y304-Y349 HydrophobicContact CD1-CE1 3.47Å; Y304-Y349 VanDerWaalsContact CD1-CE1 3.47Å; Y304-Y349 AromaticContact CD1-CZ 3.91Å; Y304-Y349 HydrophobicContact CE1-CD1 4.45Å; Y304-Y349 HydrophobicContact CE1-CE1 4.03Å; Y304-Y349 HydrophobicContact CG-CE1 4.43Å; I312-Y349 HydrophobicContact CD1-CE1 3.92Å; I312-Y349 HydrophobicContact CG1-CE1 3.99Å; I315-Y349 HydrophobicContact CD1-CD1 3.94Å; F345-Y349 AromaticContact CE1-CD2 3.85Å; F345-Y349 HydrophobicContact CE1-CD2 3.85Å; F345-Y349 HydrophobicContact CE1-CG 4.36Å; F345-Y349 HydrophobicContact CE2-CD2 4.31Å; F345-Y349 AromaticContact CZ-CD2 3.58Å; F345-Y349 HydrophobicContact CZ-CD2 3.58Å; F345-Y349 HydrophobicContact CZ-CE2 4.17Å; F345-Y349 HydrophobicContact CZ-CG 4.47Å; F345-Y349 WeakPolarHBondContact O-CB 3.33Å; F345-Y349 PolarHBondContact O-N 2.78Å; L346-Y349 PolarHBondContact O-N 3.42Å; L347-Y349 VanDerWaalsContact C-N 3.32Å; L347-Y349 PolarHBondContact O-N 3.49Å; Y349-S351 VanDerWaalsContact C-N 3.29Å; Y349-S351 PolarHBondContact O-N 3.19Å; Y349-V353 HydrophobicContact CD1-CB 4.15Å; Y349-V353 HydrophobicContact CD1-CG2 4.04Å; Y349-V353 HydrophobicContact CD2-CG2 3.77Å; Y349-V353 HydrophobicContact CE1-CB 4.08Å; Y349-V353 HydrophobicContact CE1-CG1 4.06Å; Y349-V353 HydrophobicContact CE1-CG2 4.18Å; Y349-V353 HydrophobicContact CE2-CG1 4.49Å; Y349-V353 HydrophobicContact CE2-CG2 3.93Å; Y349-V353 HydrophobicContact CG-CB 4.45Å; Y349-V353 HydrophobicContact CG-CG2 3.83Å; Y349-V353 WeakPolarHBondContact O-CB 3.26Å; Y349-V353 PolarHBondContact O-N 2.93Å; Y349-K370 HydrophobicContact CE2-CD 4.48Å; Y349-L373 HydrophobicContact CD2-CD1 4.45Å; Y349-L373 HydrophobicContact CD2-CD2 3.89Å; Y349-L373 HydrophobicContact CE2-CD2 4.42Å
350	A	97	Very high	88.5	Confident	3 Å²	3	47 Å²	47	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-36.2	177.7	0	0	0	0	0	112.2	I315 R316 L321 L346 L347	I315-A350 HydrophobicContact CD1-CB 3.99Å; I315-A350 HydrophobicContact CG1-CB 4.1Å; R316-A350 HydrophobicContact CG-CB 4.28Å; R316-A350 PolarHBondContact NE-O 2.98Å; R316-A350 PolarHBondContact NH2-O 3.39Å; R316-A350 VanDerWaalsContact NH2-O 3.08Å; L321-A350 HydrophobicContact CD2-CB 3.71Å; L346-A350 WeakPolarHBondContact O-CB 3.46Å; L346-A350 PolarHBondContact O-N 3.44Å; L347-A350 PolarHBondContact O-N 3.49Å
351	S	96.4	Very high	86	Confident	53 Å²	53	56.1 Å²	56.1	37%	0.371	27%	0.273	S	S	.	.	H	α-helix	trans	-83.6	-37.4	-176.8	64	0	0	0	0	114.6	L347 A348 Y349	L347-S351 PolarHBondContact O-N 3.19Å; L347-S351 VanDerWaalsContact O-N 3.09Å; L347-S351 PolarHBondContact O-OG 3.09Å; A348-S351 WeakPolarHBondContact CA-OG 3.45Å; A348-S351 PolarHBondContact O-N 3.37Å; A348-S351 PolarHBondContact O-OG 2.91Å; A348-S351 VanDerWaalsContact O-OG 3.09Å; Y349-S351 VanDerWaalsContact C-N 3.29Å; Y349-S351 PolarHBondContact O-N 3.19Å
352	A	96	Very high	83.6	Confident	12 Å²	12	56.3 Å²	56.3	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-107	-24.6	-167.1	0	0	0	0	0	114.4	A348 E372 T376	A348-A352 VanDerWaalsContact O-CB 3.26Å; A348-A352 WeakPolarHBondContact O-CB 3.24Å; A348-A352 PolarHBondContact O-N 3.41Å; A352-E372 HydrophobicContact CB-CB 4.14Å; A352-T376 HydrophobicContact CB-CG2 4.29Å; A352-T376 WeakPolarHBondContact CB-OG1 3.25Å
353	V	95.2	Very high	81.3	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.305	C	S	.	.			trans	-80.4	133.3	-176.8	-178.9	0	0	0	0	110.2	I312 R316 Y349 L368 N369 K370 L373	I312-V353 HydrophobicContact CD1-CB 3.77Å; I312-V353 HydrophobicContact CD1-CG1 3.39Å; R316-V353 PolarHBondContact NH2-O 3.33Å; Y349-V353 HydrophobicContact CD1-CB 4.15Å; Y349-V353 HydrophobicContact CD1-CG2 4.04Å; Y349-V353 HydrophobicContact CD2-CG2 3.77Å; Y349-V353 HydrophobicContact CE1-CB 4.08Å; Y349-V353 HydrophobicContact CE1-CG1 4.06Å; Y349-V353 HydrophobicContact CE1-CG2 4.18Å; Y349-V353 HydrophobicContact CE2-CG1 4.49Å; Y349-V353 HydrophobicContact CE2-CG2 3.93Å; Y349-V353 HydrophobicContact CG-CB 4.45Å; Y349-V353 HydrophobicContact CG-CG2 3.83Å; Y349-V353 WeakPolarHBondContact O-CB 3.26Å; Y349-V353 PolarHBondContact O-N 2.93Å; V353-L368 HydrophobicContact CG1-CB 4.37Å; V353-L368 HydrophobicContact CG1-CD2 4.32Å; V353-N369 WeakPolarHBondContact CA-O 3.35Å; V353-N369 WeakPolarHBondContact CG1-O 3.36Å; V353-K370 HydrophobicContact CG1-CG 4.09Å; V353-K370 HydrophobicContact CG2-CG 4.12Å; V353-L373 HydrophobicContact CG2-CB 4.32Å; V353-L373 HydrophobicContact CG2-CD1 4.21Å; V353-L373 HydrophobicContact CG2-CD2 4.11Å; V353-L373 HydrophobicContact CG2-CG 4.45Å
354	I	90.9	Very high	79.2	Confident	82 Å²	82	67 Å²	67	42%	0.421	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.9	177	-50.8	175.9	0	0	0	108.5	Q356 L368 N369	I354-Q356 HydrophobicContact CG2-CG 3.82Å; I354-L368 WeakPolarHBondContact O-CA 2.98Å; I354-N369 HydrophobicContact CB-CB 4.21Å; I354-N369 PolarHBondContact N-O 2.87Å; I354-N369 VanDerWaalsContact N-O 3.14Å; I354-N369 PolarHBondContact O-N 2.66Å
355	D	85.6	Confident	77.5	Confident	45 Å²	45	73.5 Å²	73.5	24%	0.241	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	104.9	172	-158.4	-17.7	0	0	0	108.5	I312 R366 L368	I312-D355 HydrophobicContact CB-CB 4.45Å; I312-D355 HydrophobicContact CD1-CB 3.66Å; I312-D355 HydrophobicContact CG1-CB 3.82Å; D355-R366 WeakPolarHBondContact OD1-CB 3.45Å; D355-R366 WeakPolarHBondContact OD1-CD 3.43Å; D355-R366 IonicContact OD2-NH1 2.69Å; D355-L368 HydrophobicContact CB-CD2 4.07Å
356	Q	80.2	Confident	76.2	Confident	100 Å²	100	75.3 Å²	75.3	47%	0.467	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.3	174.1	-65.1	-173.3	6.1	0	0	109.9	I354 A358 M367	I354-Q356 HydrophobicContact CG2-CG 3.82Å; Q356-A358 PolarHBondContact O-N 3.08Å; Q356-M367 PolarHBondContact N-O 3.09Å; Q356-M367 PolarHBondContact O-N 3.19Å
357	P	69.8	Low	75.3	Confident	93 Å²	93	81.3 Å²	81.3	60%	0.604	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	132.4	169.1	26.7	-32.1	0	0	0	108.9	K359	P357-K359 PolarHBondContact O-N 2.8Å
358	A	61.3	Low	74.8	Confident	12 Å²	12	83.4 Å²	83.4	10%	0.099	41%	0.412	C	S	.	.			trans	-58.4	132.9	176.8	0	0	0	0	0	110.5	Q356 K360 E365 M367	Q356-A358 PolarHBondContact O-N 3.08Å; A358-K360 PolarHBondContact O-N 2.95Å; A358-E365 HydrophobicContact CB-CB 4.2Å; A358-E365 WeakPolarHBondContact CB-O 3.44Å; A358-E365 PolarHBondContact N-O 2.95Å; A358-E365 VanDerWaalsContact N-O 3.14Å; A358-M367 HydrophobicContact CB-CG 4.33Å
359	K	57.4	Low	74.3	Confident	201 Å²	201	86.2 Å²	86.2	87%	0.874	43%	0.427	S	S	*	.	S	Bend	trans	-68	-11.3	177	-67.8	-176.1	179	178.8	0	113.4	P357	P357-K359 PolarHBondContact O-N 2.8Å
360	K	49.2	Very low	74.1	Confident	176 Å²	176	90.2 Å²	90.2	77%	0.765	44%	0.444	S	S	*	.	S	Bend	trans	-115	138.8	-176.5	-69.5	-173.1	178.5	-179.9	0	110.5	A358	A358-K360 PolarHBondContact O-N 2.95Å
361	R	42.6	Very low	73.9	Confident	242 Å²	242	97.6 Å²	97.6	91%	0.913	48%	0.478	S	S	*	.	S	Bend	trans	-63	143.4	174.8	-77.1	-177.6	177.7	-179.5	-0.8	110.3
362	P	46.6	Very low	73.8	Confident	80 Å²	80	100.7 Å²	100.7	52%	0.519	49%	0.487	S	S	.	.	S	Bend	cis	-79	145.6	0.2	26.6	-22	0	0	0	111.7	T364	P362-T364 PolarHBondContact O-N 3.14Å
363	M	50.9	Low	73.8	Confident	158 Å²	158	100.9 Å²	100.9	78%	0.778	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	12.4	178.8	-93.8	177.5	86.7	0	0	114.5
364	T	54	Low	73.9	Confident	112 Å²	112	108.2 Å²	108.2	69%	0.687	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-23.2	-176.1	49.9	0	0	0	0	113.3	P362 R366	P362-T364 PolarHBondContact O-N 3.14Å; T364-R366 PolarHBondContact O-N 3.5Å
365	E	62.1	Low	74.3	Confident	140 Å²	140	106 Å²	106	65%	0.654	51%	0.51	S	S	*	.			trans	-78.5	122.8	176.5	-71.9	-177.3	-178.9	0	0	109.9	A358	A358-E365 HydrophobicContact CB-CB 4.2Å; A358-E365 WeakPolarHBondContact CB-O 3.44Å; A358-E365 PolarHBondContact N-O 2.95Å; A358-E365 VanDerWaalsContact N-O 3.14Å
366	R	72.4	Confident	74.9	Confident	69 Å²	69	104 Å²	104	26%	0.26	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.9	175.1	-76.1	178.9	-68.7	144.3	2.9	109.5	Y276 D308 P309 P310 D355 T364	Y276-R366 PolarHBondContact OH-NH2 3.41Å; D308-R366 IonicContact OD1-NH2 3.69Å; D308-R366 PolarHBondContact OD1-NH2 3.02Å; P309-R366 VanDerWaalsContact O-CZ 3.23Å; P309-R366 PolarHBondContact O-NH1 2.88Å; P309-R366 PolarHBondContact O-NH2 3.24Å; P310-R366 PolarHBondContact O-NH1 3.43Å; D355-R366 WeakPolarHBondContact OD1-CB 3.45Å; D355-R366 WeakPolarHBondContact OD1-CD 3.43Å; D355-R366 IonicContact OD2-NH1 2.69Å; T364-R366 PolarHBondContact O-N 3.5Å
367	M	79.2	Confident	75.7	Confident	125 Å²	125	101.1 Å²	101.1	62%	0.616	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	110.6	174.4	-70.7	-170.6	69.2	0	0	109	Q356 A358	Q356-M367 PolarHBondContact N-O 3.09Å; Q356-M367 PolarHBondContact O-N 3.19Å; A358-M367 HydrophobicContact CB-CG 4.33Å
368	L	86.7	Confident	77.1	Confident	49 Å²	49	101 Å²	101	26%	0.257	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	115.5	179.8	-60.3	171.7	0	0	0	110	P309 I312 V353 I354 D355	P309-L368 HydrophobicContact CG-CD1 3.34Å; I312-L368 HydrophobicContact CD1-CD2 4.09Å; I312-L368 HydrophobicContact CG1-CD2 4.5Å; V353-L368 HydrophobicContact CG1-CB 4.37Å; V353-L368 HydrophobicContact CG1-CD2 4.32Å; I354-L368 WeakPolarHBondContact O-CA 2.98Å; D355-L368 HydrophobicContact CB-CD2 4.07Å
369	N	89.4	Confident	78.8	Confident	58 Å²	58	100.8 Å²	100.8	31%	0.31	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	118.6	166.4	-172.2	-14.7	0	0	0	109.4	V353 I354 E371	V353-N369 WeakPolarHBondContact CA-O 3.35Å; V353-N369 WeakPolarHBondContact CG1-O 3.36Å; I354-N369 HydrophobicContact CB-CB 4.21Å; I354-N369 PolarHBondContact N-O 2.87Å; I354-N369 VanDerWaalsContact N-O 3.14Å; I354-N369 PolarHBondContact O-N 2.66Å; N369-E371 PolarHBondContact ND2-OE2 3.13Å; N369-E371 VanDerWaalsContact OD1-CB 3.28Å; N369-E371 WeakPolarHBondContact OD1-CB 3.12Å; N369-E371 WeakPolarHBondContact OD1-CG 3.42Å; N369-E371 PolarHBondContact OD1-N 3.18Å; N369-E371 PolarHBondContact OD1-OE2 2.75Å
370	K	92.7	Very high	80.8	Confident	84 Å²	84	91.2 Å²	91.2	37%	0.365	43%	0.434	S	S	.	.			trans	-115	15.4	178.9	-58.9	-175.9	-179.7	-177.9	0	113.3	Y349 V353 E372 L373	Y349-K370 HydrophobicContact CE2-CD 4.48Å; V353-K370 HydrophobicContact CG1-CG 4.09Å; V353-K370 HydrophobicContact CG2-CG 4.12Å; K370-E372 PolarHBondContact O-N 2.97Å; K370-L373 HydrophobicContact CB-CB 4.32Å; K370-L373 HydrophobicContact CB-CD2 4.36Å; K370-L373 HydrophobicContact CD-CD2 4.38Å; K370-L373 VanDerWaalsContact O-CB 3.29Å; K370-L373 WeakPolarHBondContact O-CB 3.34Å; K370-L373 PolarHBondContact O-N 3.09Å
371	E	93	Very high	83	Confident	159 Å²	159	87.3 Å²	87.3	74%	0.743	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-46.4	-174.7	-76	170.9	159.7	0	0	112.9	N369 L373	N369-E371 PolarHBondContact ND2-OE2 3.13Å; N369-E371 VanDerWaalsContact OD1-CB 3.28Å; N369-E371 WeakPolarHBondContact OD1-CB 3.12Å; N369-E371 WeakPolarHBondContact OD1-CG 3.42Å; N369-E371 PolarHBondContact OD1-N 3.18Å; N369-E371 PolarHBondContact OD1-OE2 2.75Å; E371-L373 VanDerWaalsContact C-N 3.34Å; E371-L373 PolarHBondContact O-N 2.93Å
372	E	94.6	Very high	85.6	Confident	118 Å²	118	81.4 Å²	81.4	55%	0.551	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.1	-178.2	-63.6	-168.8	165.6	0	0	114	A352 K370 K374 S375 T376	A352-E372 HydrophobicContact CB-CB 4.14Å; K370-E372 PolarHBondContact O-N 2.97Å; E372-K374 PolarHBondContact O-N 2.81Å; E372-S375 PolarHBondContact O-N 3.07Å; E372-S375 PolarHBondContact O-OG 3.28Å; E372-T376 VanDerWaalsContact O-CB 3.27Å; E372-T376 WeakPolarHBondContact O-CB 3.49Å; E372-T376 PolarHBondContact O-N 2.64Å; E372-T376 PolarHBondContact O-OG1 3.34Å
373	L	96.5	Very high	88	Confident	16 Å²	16	77.6 Å²	77.6	8%	0.084	38%	0.375	C	S	.	.	H	α-helix	trans	-61.1	-48.6	-172.9	177.8	56.7	0	0	0	111.7	F345 A348 Y349 V353 K370 E371 T376 I377	F345-L373 HydrophobicContact CE2-CD2 4.03Å; A348-L373 HydrophobicContact CB-CD1 3.81Å; Y349-L373 HydrophobicContact CD2-CD1 4.45Å; Y349-L373 HydrophobicContact CD2-CD2 3.89Å; Y349-L373 HydrophobicContact CE2-CD2 4.42Å; V353-L373 HydrophobicContact CG2-CB 4.32Å; V353-L373 HydrophobicContact CG2-CD1 4.21Å; V353-L373 HydrophobicContact CG2-CD2 4.11Å; V353-L373 HydrophobicContact CG2-CG 4.45Å; K370-L373 HydrophobicContact CB-CB 4.32Å; K370-L373 HydrophobicContact CB-CD2 4.36Å; K370-L373 HydrophobicContact CD-CD2 4.38Å; K370-L373 VanDerWaalsContact O-CB 3.29Å; K370-L373 WeakPolarHBondContact O-CB 3.34Å; K370-L373 PolarHBondContact O-N 3.09Å; E371-L373 VanDerWaalsContact C-N 3.34Å; E371-L373 PolarHBondContact O-N 2.93Å; L373-T376 PolarHBondContact O-N 2.86Å; L373-I377 HydrophobicContact CD1-CD1 3.96Å; L373-I377 HydrophobicContact CD1-CG1 4.24Å; L373-I377 HydrophobicContact CG-CD1 4.03Å; L373-I377 VanDerWaalsContact O-CG1 3.29Å; L373-I377 WeakPolarHBondContact O-CG1 3.28Å; L373-I377 PolarHBondContact O-N 3.18Å
374	K	97.4	Very high	90.1	Very high	153 Å²	153	70.3 Å²	70.3	67%	0.665	34%	0.339	S	S	*	.	H	α-helix	trans	-65.6	-43.3	-175.9	-174.6	179.8	179	-177.9	0	112	E372 I377 Q378	E372-K374 PolarHBondContact O-N 2.81Å; K374-I377 PolarHBondContact O-N 3.08Å; K374-Q378 WeakPolarHBondContact O-CG 3.45Å; K374-Q378 PolarHBondContact O-N 3.42Å; K374-Q378 VanDerWaalsContact O-N 3.14Å
375	S	97.7	Very high	91.9	Very high	37 Å²	37	68.7 Å²	68.7	26%	0.259	33%	0.329	S	S	.	.	H	α-helix	trans	-68.9	-37	179.3	55.1	0	0	0	0	111.5	E372 Q378 A379 Y409	E372-S375 PolarHBondContact O-N 3.07Å; E372-S375 PolarHBondContact O-OG 3.28Å; S375-Q378 PolarHBondContact O-N 2.91Å; S375-A379 WeakPolarHBondContact O-CB 3.43Å; S375-A379 PolarHBondContact O-N 2.66Å; S375-Y409 WeakPolarHBondContact CB-OH 3.43Å; S375-Y409 PolarHBondContact OG-OH 2.93Å
376	T	98	Very high	93.4	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-44.9	173.4	-56	0	0	0	0	111.9	A348 A352 E372 L373 Q378 A379 I380 Y409 V411	A348-T376 HydrophobicContact CB-CG2 3.82Å; A352-T376 HydrophobicContact CB-CG2 4.29Å; A352-T376 WeakPolarHBondContact CB-OG1 3.25Å; E372-T376 VanDerWaalsContact O-CB 3.27Å; E372-T376 WeakPolarHBondContact O-CB 3.49Å; E372-T376 PolarHBondContact O-N 2.64Å; E372-T376 PolarHBondContact O-OG1 3.34Å; L373-T376 PolarHBondContact O-N 2.86Å; T376-Q378 VanDerWaalsContact C-N 3.32Å; T376-Q378 PolarHBondContact O-N 3.02Å; T376-A379 PolarHBondContact O-N 3.08Å; T376-I380 HydrophobicContact CG2-CD1 4.07Å; T376-I380 WeakPolarHBondContact O-CG1 3.08Å; T376-I380 PolarHBondContact O-N 3.48Å; T376-Y409 HydrophobicContact CG2-CD1 4.41Å; T376-Y409 WeakPolarHBondContact OG1-CD1 3.25Å; T376-V411 HydrophobicContact CG2-CG1 3.79Å
377	I	98.3	Very high	94.3	Very high	39 Å²	39	59.1 Å²	59.1	20%	0.2	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-46.5	175.4	-69.1	167.4	0	0	0	110.7	F345 A348 L373 K374 A379 I380 E381	F345-I377 HydrophobicContact CB-CD1 4.5Å; F345-I377 HydrophobicContact CD2-CD1 3.85Å; A348-I377 HydrophobicContact CB-CB 4.38Å; A348-I377 HydrophobicContact CB-CD1 4.37Å; A348-I377 HydrophobicContact CB-CG1 3.36Å; L373-I377 HydrophobicContact CD1-CD1 3.96Å; L373-I377 HydrophobicContact CD1-CG1 4.24Å; L373-I377 HydrophobicContact CG-CD1 4.03Å; L373-I377 VanDerWaalsContact O-CG1 3.29Å; L373-I377 WeakPolarHBondContact O-CG1 3.28Å; L373-I377 PolarHBondContact O-N 3.18Å; K374-I377 PolarHBondContact O-N 3.08Å; I377-A379 VanDerWaalsContact C-N 3.34Å; I377-A379 PolarHBondContact O-N 3.45Å; I377-I380 PolarHBondContact O-N 3.11Å; I377-E381 WeakPolarHBondContact O-CB 3.28Å; I377-E381 PolarHBondContact O-N 3.12Å
378	Q	98.1	Very high	94.7	Very high	91 Å²	91	55.5 Å²	55.5	43%	0.425	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-38.3	179.5	-71.5	176.6	-10	0	0	112.5	K374 S375 T376 E381 K382	K374-Q378 WeakPolarHBondContact O-CG 3.45Å; K374-Q378 PolarHBondContact O-N 3.42Å; K374-Q378 VanDerWaalsContact O-N 3.14Å; S375-Q378 PolarHBondContact O-N 2.91Å; T376-Q378 VanDerWaalsContact C-N 3.32Å; T376-Q378 PolarHBondContact O-N 3.02Å; Q378-E381 PolarHBondContact O-N 3.47Å; Q378-K382 WeakPolarHBondContact O-CG 3.15Å; Q378-K382 PolarHBondContact O-N 3.45Å
379	A	98.1	Very high	94.4	Very high	6 Å²	6	56.7 Å²	56.7	5%	0.05	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-43.6	176	0	0	0	0	0	111.6	S375 T376 I377 A383 C406 Y409 V412	S375-A379 WeakPolarHBondContact O-CB 3.43Å; S375-A379 PolarHBondContact O-N 2.66Å; T376-A379 PolarHBondContact O-N 3.08Å; I377-A379 VanDerWaalsContact C-N 3.34Å; I377-A379 PolarHBondContact O-N 3.45Å; A379-A383 VanDerWaalsContact O-CB 3.31Å; A379-A383 WeakPolarHBondContact O-CB 3.2Å; A379-A383 PolarHBondContact O-N 2.97Å; A379-C406 HydrophobicContact CB-CB 4.32Å; A379-Y409 HydrophobicContact CB-CD2 3.41Å; A379-Y409 VanDerWaalsContact CB-CD2 3.41Å; A379-Y409 HydrophobicContact CB-CE2 3.7Å; A379-Y409 HydrophobicContact CB-CG 4.03Å; A379-V412 HydrophobicContact CB-CG2 4.07Å
380	I	98.4	Very high	93.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-44.9	174.4	-67.8	170.7	0	0	0	110.5	L328 F329 M344 L347 A348 T376 I377 A383 H384 V411 V412	L328-I380 HydrophobicContact CD1-CG2 4.31Å; F329-I380 HydrophobicContact CE2-CG2 4.34Å; F329-I380 HydrophobicContact CZ-CG2 4.33Å; M344-I380 HydrophobicContact CB-CG2 4.31Å; M344-I380 HydrophobicContact CG-CG2 3.97Å; L347-I380 HydrophobicContact CB-CD1 4.39Å; L347-I380 HydrophobicContact CD2-CD1 4.19Å; L347-I380 HydrophobicContact CG-CD1 4.13Å; A348-I380 HydrophobicContact CB-CD1 3.89Å; T376-I380 HydrophobicContact CG2-CD1 4.07Å; T376-I380 WeakPolarHBondContact O-CG1 3.08Å; T376-I380 PolarHBondContact O-N 3.48Å; I377-I380 PolarHBondContact O-N 3.11Å; I380-A383 PolarHBondContact O-N 2.71Å; I380-H384 WeakPolarHBondContact O-CB 3.13Å; I380-H384 PolarHBondContact O-N 3.42Å; I380-V411 HydrophobicContact CD1-CG1 3.99Å; I380-V411 HydrophobicContact CG1-CG1 4.19Å; I380-V412 HydrophobicContact CG1-CG2 3.9Å
381	E	97.2	Very high	92.4	Very high	95 Å²	95	58.2 Å²	58.2	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-61.9	-45.5	-179	-177.4	174.7	-155.4	0	0	112.6	M344 I377 Q378 T385	M344-E381 HydrophobicContact CE-CB 4.23Å; M344-E381 HydrophobicContact CE-CG 4.33Å; M344-E381 HydrophobicContact SD-CB 3.96Å; M344-E381 HydrophobicContact SD-CG 4.2Å; I377-E381 WeakPolarHBondContact O-CB 3.28Å; I377-E381 PolarHBondContact O-N 3.12Å; Q378-E381 PolarHBondContact O-N 3.47Å; E381-T385 PolarHBondContact O-N 2.87Å; E381-T385 VanDerWaalsContact O-N 3.08Å; E381-T385 PolarHBondContact O-OG1 3.17Å
382	K	96.6	Very high	91.4	Very high	118 Å²	118	52.4 Å²	52.4	51%	0.513	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-50.3	176.1	-72.3	177.8	-177.5	-176.5	0	111.5	Q378 H384 T385 I386 T402	Q378-K382 WeakPolarHBondContact O-CG 3.15Å; Q378-K382 PolarHBondContact O-N 3.45Å; K382-H384 PolarHBondContact O-N 3.49Å; K382-T385 WeakPolarHBondContact O-CB 3.34Å; K382-T385 PolarHBondContact O-N 3.46Å; K382-T385 VanDerWaalsContact O-N 3.15Å; K382-I386 PolarHBondContact O-N 2.9Å; K382-T402 HydrophobicContact CB-CG2 4.45Å; K382-T402 HydrophobicContact CD-CG2 4.49Å
383	A	96.2	Very high	90.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-43.3	-179.9	0	0	0	0	0	111.9	F329 A379 I380 T385 I386 C387 L403 C406 V412	F329-A383 HydrophobicContact CE1-CB 3.95Å; F329-A383 HydrophobicContact CZ-CB 4.36Å; A379-A383 VanDerWaalsContact O-CB 3.31Å; A379-A383 WeakPolarHBondContact O-CB 3.2Å; A379-A383 PolarHBondContact O-N 2.97Å; I380-A383 PolarHBondContact O-N 2.71Å; A383-T385 VanDerWaalsContact C-N 3.28Å; A383-T385 PolarHBondContact O-N 3.01Å; A383-I386 PolarHBondContact O-N 3.16Å; A383-I386 VanDerWaalsContact O-N 3.16Å; A383-C387 WeakPolarHBondContact O-CB 3.42Å; A383-C387 PolarHBondContact O-N 3.19Å; A383-C387 PolarHBondContact O-SG 2.69Å; A383-L403 HydrophobicContact CB-CD1 4.27Å; A383-C406 HydrophobicContact CB-CB 4.18Å; A383-V412 HydrophobicContact CB-CG1 3.54Å
384	H	95.3	Very high	89.7	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.019	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-38.5	174.7	166.7	79.2	0	0	0	112.2	L328 K340 M344 I380 K382 I386 C387 N388	L328-H384 PolarHBondContact O-ND1 3.48Å; K340-H384 WeakPolarHBondContact CE-CD2 3.5Å; K340-H384 WeakPolarHBondContact CE-NE2 3.49Å; K340-H384 PolarHBondContact NZ-CD2 3.03Å; K340-H384 PolarHBondContact NZ-NE2 3.37Å; M344-H384 HydrophobicContact CE-CB 3.86Å; I380-H384 WeakPolarHBondContact O-CB 3.13Å; I380-H384 PolarHBondContact O-N 3.42Å; K382-H384 PolarHBondContact O-N 3.49Å; H384-I386 VanDerWaalsContact C-N 3.27Å; H384-I386 PolarHBondContact O-N 2.95Å; H384-C387 PolarHBondContact O-N 3.17Å; H384-N388 WeakPolarHBondContact O-CB 3.29Å; H384-N388 PolarHBondContact O-N 2.64Å
385	T	92.8	Very high	89.1	Confident	79 Å²	79	51.4 Å²	51.4	49%	0.485	28%	0.284	S	S	.	.	H	α-helix	trans	-64.4	-35	178.7	-57.3	0	0	0	0	111.9	E381 K382 A383	E381-T385 PolarHBondContact O-N 2.87Å; E381-T385 VanDerWaalsContact O-N 3.08Å; E381-T385 PolarHBondContact O-OG1 3.17Å; K382-T385 WeakPolarHBondContact O-CB 3.34Å; K382-T385 PolarHBondContact O-N 3.46Å; K382-T385 VanDerWaalsContact O-N 3.15Å; A383-T385 VanDerWaalsContact C-N 3.28Å; A383-T385 PolarHBondContact O-N 3.01Å
386	I	92.5	Very high	88.7	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.036	27%	0.272	C	S	.	.	H	α-helix	trans	-72.1	-50	174.4	-61	164.5	0	0	0	110.1	K382 A383 H384 N388 L396 E399 T402 L403	K382-I386 PolarHBondContact O-N 2.9Å; A383-I386 PolarHBondContact O-N 3.16Å; A383-I386 VanDerWaalsContact O-N 3.16Å; H384-I386 VanDerWaalsContact C-N 3.27Å; H384-I386 PolarHBondContact O-N 2.95Å; I386-N388 PolarHBondContact O-N 3.47Å; I386-L396 HydrophobicContact CG2-CD1 4.09Å; I386-E399 HydrophobicContact CD1-CB 3.97Å; I386-E399 HydrophobicContact CG1-CB 4.05Å; I386-E399 HydrophobicContact CG1-CG 4.23Å; I386-E399 HydrophobicContact CG2-CB 4.13Å; I386-T402 HydrophobicContact CD1-CG2 3.91Å; I386-L403 HydrophobicContact CD1-CB 4.36Å; I386-L403 HydrophobicContact CD1-CD1 4.39Å
387	C	91.9	Very high	88.2	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-73.6	-25.1	-171.7	-59.7	0	0	0	0	114.4	F329 A383 H384 W419	F329-C387 HydrophobicContact CD1-CB 4.17Å; A383-C387 WeakPolarHBondContact O-CB 3.42Å; A383-C387 PolarHBondContact O-N 3.19Å; A383-C387 PolarHBondContact O-SG 2.69Å; H384-C387 PolarHBondContact O-N 3.17Å; C387-W419 HydrophobicContact CB-CB 4.08Å; C387-W419 HydrophobicContact CB-CD2 3.8Å; C387-W419 HydrophobicContact CB-CE3 4.44Å; C387-W419 HydrophobicContact CB-CG 3.58Å; C387-W419 PolarHBondContact O-NE1 2.86Å
388	N	86.6	Confident	87.9	Confident	50 Å²	50	55.9 Å²	55.9	27%	0.267	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.5	-174.8	-169.5	54.5	0	0	0	113.6	V333 H384 I386	V333-N388 PolarHBondContact O-OD1 3.44Å; H384-N388 WeakPolarHBondContact O-CB 3.29Å; H384-N388 PolarHBondContact O-N 2.64Å; I386-N388 PolarHBondContact O-N 3.47Å
389	V	80.4	Confident	87.6	Confident	73 Å²	73	55 Å²	55	44%	0.442	31%	0.311	S	S	.	.	S	Bend	trans	-100.1	132.5	174.2	-178	0	0	0	0	107.2	Q391	V389-Q391 HydrophobicContact CB-CG 3.95Å; V389-Q391 HydrophobicContact CG1-CG 3.9Å; V389-Q391 PolarHBondContact O-N 3.24Å
390	D	71.7	Confident	87.4	Confident	133 Å²	133	56 Å²	56	71%	0.711	32%	0.316	S	S	*	.			trans	-69.2	80.7	168.5	-68.6	-36.4	0	0	0	108.3	S331	S331-D390 PolarHBondContact OG-OD1 3.34Å
391	Q	69.6	Low	87.2	Confident	42 Å²	42	62 Å²	62	20%	0.196	34%	0.344	C	S	.	.			trans	-79	137.7	-179.9	-71	-172.7	-24.3	0	0	110.1	V389 E395	V389-Q391 HydrophobicContact CB-CG 3.95Å; V389-Q391 HydrophobicContact CG1-CG 3.9Å; V389-Q391 PolarHBondContact O-N 3.24Å; Q391-E395 WeakPolarHBondContact CA-OE2 3.27Å; Q391-E395 HydrophobicContact CB-CB 3.99Å; Q391-E395 HydrophobicContact CG-CB 4.26Å
392	G	71.2	Confident	87.2	Confident	37 Å²	37	59.8 Å²	59.8	38%	0.381	34%	0.337	S	S	.	.			trans	-63.3	160.5	164.4	0	0	0	0	0	111	T394 E395 L396	G392-T394 PolarHBondContact O-N 3.27Å; G392-T394 VanDerWaalsContact O-N 3.17Å; G392-E395 PolarHBondContact O-N 3.19Å; G392-E395 VanDerWaalsContact O-N 3.1Å; G392-L396 PolarHBondContact O-N 2.99Å
393	S	74.6	Confident	87.1	Confident	53 Å²	53	54.2 Å²	54.2	37%	0.371	31%	0.313	S	S	.	.	H	α-helix	trans	-54.2	-37.6	178.3	52.4	0	0	0	0	112.9	L396 I397	S393-L396 PolarHBondContact O-N 3.35Å; S393-I397 WeakPolarHBondContact O-CD1 3.49Å; S393-I397 WeakPolarHBondContact O-CG1 3.47Å; S393-I397 PolarHBondContact O-N 2.97Å
394	T	80.9	Confident	87.2	Confident	107 Å²	107	57 Å²	57	66%	0.656	32%	0.323	S	S	*	.	H	α-helix	trans	-67	-38.3	178.4	49.9	0	0	0	0	113.7	G392 A398	G392-T394 PolarHBondContact O-N 3.27Å; G392-T394 VanDerWaalsContact O-N 3.17Å; T394-A398 PolarHBondContact O-N 3.32Å
395	E	85	Confident	87.2	Confident	106 Å²	106	60.4 Å²	60.4	50%	0.495	34%	0.342	S	S	.	.	H	α-helix	trans	-70.1	-41.2	176.5	-67.9	176.7	174.6	0	0	110.7	Q391 G392 I397 A398 E399	Q391-E395 WeakPolarHBondContact CA-OE2 3.27Å; Q391-E395 HydrophobicContact CB-CB 3.99Å; Q391-E395 HydrophobicContact CG-CB 4.26Å; G392-E395 PolarHBondContact O-N 3.19Å; G392-E395 VanDerWaalsContact O-N 3.1Å; E395-I397 VanDerWaalsContact C-N 3.32Å; E395-I397 PolarHBondContact O-N 3.06Å; E395-A398 WeakPolarHBondContact O-CB 3.29Å; E395-A398 PolarHBondContact O-N 2.95Å; E395-E399 PolarHBondContact O-N 3.07Å
396	L	88.6	Confident	87.5	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-60.9	-41.9	175.4	179	58.6	0	0	0	111.6	I386 G392 S393 A398 E399 L400 W419 T439	I386-L396 HydrophobicContact CG2-CD1 4.09Å; G392-L396 PolarHBondContact O-N 2.99Å; S393-L396 PolarHBondContact O-N 3.35Å; L396-A398 VanDerWaalsContact C-N 3.25Å; L396-A398 PolarHBondContact O-N 3.2Å; L396-E399 CarbonylContact O-C 3.57Å; L396-E399 PolarHBondContact O-N 2.94Å; L396-L400 HydrophobicContact CG-CD2 4.47Å; L396-L400 WeakPolarHBondContact O-CG 2.99Å; L396-L400 PolarHBondContact O-N 3.03Å; L396-L400 VanDerWaalsContact O-N 3.07Å; L396-W419 HydrophobicContact CD1-CH2 3.62Å; L396-W419 HydrophobicContact CD1-CZ2 4.49Å; L396-W419 HydrophobicContact CD1-CZ3 4.38Å; L396-W419 HydrophobicContact CD2-CH2 3.8Å; L396-W419 HydrophobicContact CG-CH2 4.36Å; L396-T439 HydrophobicContact CD2-CG2 3.84Å; L396-T439 HydrophobicContact CG-CG2 4.08Å
397	I	89	Confident	87.7	Confident	93 Å²	93	56.6 Å²	56.6	48%	0.477	32%	0.319	S	S	.	.	H	α-helix	trans	-56.5	-40	177.4	-72.1	163.7	0	0	0	111.5	S393 E395 E399 L400 T439	S393-I397 WeakPolarHBondContact O-CD1 3.49Å; S393-I397 WeakPolarHBondContact O-CG1 3.47Å; S393-I397 PolarHBondContact O-N 2.97Å; E395-I397 VanDerWaalsContact C-N 3.32Å; E395-I397 PolarHBondContact O-N 3.06Å; I397-E399 VanDerWaalsContact C-N 3.26Å; I397-E399 PolarHBondContact O-N 2.92Å; I397-L400 HydrophobicContact CB-CD1 4.45Å; I397-L400 HydrophobicContact CG1-CD1 4.32Å; I397-L400 PolarHBondContact O-N 2.66Å; I397-T439 HydrophobicContact CG1-CG2 4.07Å
398	A	90.8	Very high	87.9	Confident	79 Å²	79	63 Å²	63	65%	0.653	35%	0.347	S	S	*	.	H	α-helix	trans	-65.8	-28.9	178.2	0	0	0	0	0	112.8	T394 E395 L396	T394-A398 PolarHBondContact O-N 3.32Å; E395-A398 WeakPolarHBondContact O-CB 3.29Å; E395-A398 PolarHBondContact O-N 2.95Å; L396-A398 VanDerWaalsContact C-N 3.25Å; L396-A398 PolarHBondContact O-N 3.2Å
399	E	92.8	Very high	88.4	Confident	71 Å²	71	63.7 Å²	63.7	33%	0.332	35%	0.346	S	S	.	.	H	α-helix	trans	-94.8	-4.8	-178.6	-67.2	-61.8	161	0	0	114.1	I386 E395 L396 I397 Q401 T402 L403	I386-E399 HydrophobicContact CD1-CB 3.97Å; I386-E399 HydrophobicContact CG1-CB 4.05Å; I386-E399 HydrophobicContact CG1-CG 4.23Å; I386-E399 HydrophobicContact CG2-CB 4.13Å; E395-E399 PolarHBondContact O-N 3.07Å; L396-E399 CarbonylContact O-C 3.57Å; L396-E399 PolarHBondContact O-N 2.94Å; I397-E399 VanDerWaalsContact C-N 3.26Å; I397-E399 PolarHBondContact O-N 2.92Å; E399-Q401 VanDerWaalsContact C-N 3.3Å; E399-Q401 PolarHBondContact O-N 3.06Å; E399-T402 WeakPolarHBondContact O-CA 3.18Å; E399-T402 WeakPolarHBondContact O-CB 3.28Å; E399-T402 PolarHBondContact O-N 3Å; E399-T402 PolarHBondContact OE2-OG1 3.25Å; E399-L403 PolarHBondContact O-N 3.24Å
400	L	93	Very high	89.2	Confident	28 Å²	28	63.8 Å²	63.8	15%	0.147	35%	0.348	C	S	.	.	H	α-helix	trans	-54.4	-42.9	-177	-76.8	176.9	0	0	0	112.9	L396 I397 T402 L403 Y404 T439 V443	L396-L400 HydrophobicContact CG-CD2 4.47Å; L396-L400 WeakPolarHBondContact O-CG 2.99Å; L396-L400 PolarHBondContact O-N 3.03Å; L396-L400 VanDerWaalsContact O-N 3.07Å; I397-L400 HydrophobicContact CB-CD1 4.45Å; I397-L400 HydrophobicContact CG1-CD1 4.32Å; I397-L400 PolarHBondContact O-N 2.66Å; L400-T402 VanDerWaalsContact C-N 3.28Å; L400-T402 PolarHBondContact O-N 2.88Å; L400-L403 PolarHBondContact O-N 3.05Å; L400-L403 VanDerWaalsContact O-N 3.16Å; L400-Y404 HydrophobicContact CB-CE2 4.24Å; L400-Y404 HydrophobicContact CD2-CE1 4.2Å; L400-Y404 WeakPolarHBondContact O-CB 3.37Å; L400-Y404 PolarHBondContact O-N 3.43Å; L400-T439 HydrophobicContact CD1-CG2 4.05Å; L400-T439 HydrophobicContact CD2-CG2 4.05Å; L400-T439 HydrophobicContact CG-CG2 4.43Å; L400-V443 HydrophobicContact CD2-CG2 3.51Å
401	Q	95.2	Very high	90.4	Very high	125 Å²	125	58.2 Å²	58.2	58%	0.584	32%	0.319	S	S	*	.	H	α-helix	trans	-64.3	-35.4	179.9	-173.9	58.7	60.3	0	0	112.1	E399 N405	E399-Q401 VanDerWaalsContact C-N 3.3Å; E399-Q401 PolarHBondContact O-N 3.06Å; Q401-N405 PolarHBondContact NE2-ND2 2.98Å; Q401-N405 PolarHBondContact O-N 3.14Å; Q401-N405 PolarHBondContact O-ND2 3.46Å
402	T	95.9	Very high	91.8	Very high	50 Å²	50	56.2 Å²	56.2	31%	0.307	31%	0.31	S	S	.	.	H	α-helix	trans	-66.9	-46.3	173.8	-57.7	0	0	0	0	109.7	K382 I386 E399 L400 N405 C406	K382-T402 HydrophobicContact CB-CG2 4.45Å; K382-T402 HydrophobicContact CD-CG2 4.49Å; I386-T402 HydrophobicContact CD1-CG2 3.91Å; E399-T402 WeakPolarHBondContact O-CA 3.18Å; E399-T402 WeakPolarHBondContact O-CB 3.28Å; E399-T402 PolarHBondContact O-N 3Å; E399-T402 PolarHBondContact OE2-OG1 3.25Å; L400-T402 VanDerWaalsContact C-N 3.28Å; L400-T402 PolarHBondContact O-N 2.88Å; T402-N405 PolarHBondContact O-N 2.87Å; T402-C406 PolarHBondContact O-N 3.36Å; T402-C406 VanDerWaalsContact O-N 3.11Å; T402-C406 PolarHBondContact O-SG 2.85Å
403	L	95.6	Very high	93.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-47.5	-179.9	-165.4	62.1	0	0	0	111.4	A383 I386 E399 L400 N405 C406 I407 V416 W419 V443	A383-L403 HydrophobicContact CB-CD1 4.27Å; I386-L403 HydrophobicContact CD1-CB 4.36Å; I386-L403 HydrophobicContact CD1-CD1 4.39Å; E399-L403 PolarHBondContact O-N 3.24Å; L400-L403 PolarHBondContact O-N 3.05Å; L400-L403 VanDerWaalsContact O-N 3.16Å; L403-N405 PolarHBondContact O-N 3.47Å; L403-C406 CarbonylContact O-C 3.52Å; L403-C406 WeakPolarHBondContact O-CA 3.32Å; L403-C406 WeakPolarHBondContact O-CB 3.31Å; L403-C406 PolarHBondContact O-N 3.36Å; L403-I407 HydrophobicContact CG-CG2 4.36Å; L403-I407 WeakPolarHBondContact O-CG2 3.28Å; L403-I407 PolarHBondContact O-N 3.25Å; L403-V416 HydrophobicContact CD1-CG2 3.79Å; L403-V416 HydrophobicContact CG-CG2 4.44Å; L403-W419 HydrophobicContact CD2-CZ3 4.21Å; L403-V443 HydrophobicContact CD2-CG1 3.82Å; L403-V443 HydrophobicContact CD2-CG2 4.26Å
404	Y	96.9	Very high	94.2	Very high	58 Å²	58	54 Å²	54	23%	0.227	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-30.9	177.6	-65.1	-15.7	0	0	0	113.6	L400 I407 V443 E446	L400-Y404 HydrophobicContact CB-CE2 4.24Å; L400-Y404 HydrophobicContact CD2-CE1 4.2Å; L400-Y404 WeakPolarHBondContact O-CB 3.37Å; L400-Y404 PolarHBondContact O-N 3.43Å; Y404-I407 HydrophobicContact CD1-CD1 4.05Å; Y404-I407 WeakPolarHBondContact O-CG1 3.45Å; Y404-V443 HydrophobicContact CE1-CG2 4.25Å; Y404-E446 HydrophobicContact CD1-CB 4.26Å; Y404-E446 HydrophobicContact CD1-CG 4.37Å; Y404-E446 HydrophobicContact CE1-CB 3.87Å; Y404-E446 HydrophobicContact CE1-CG 3.71Å; Y404-E446 HydrophobicContact CE2-CG 4.31Å
405	N	97	Very high	95	Very high	76 Å²	76	48.9 Å²	48.9	41%	0.406	26%	0.255	S	S	.	.	H	α-helix	trans	-72.5	-33.7	171.5	-78	-43.3	0	0	0	112.4	Q401 T402 L403	Q401-N405 PolarHBondContact NE2-ND2 2.98Å; Q401-N405 PolarHBondContact O-N 3.14Å; Q401-N405 PolarHBondContact O-ND2 3.46Å; T402-N405 PolarHBondContact O-N 2.87Å; L403-N405 PolarHBondContact O-N 3.47Å
406	C	97.7	Very high	95.6	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.041	23%	0.231	C	C	.	.	H	α-helix	trans	-78.8	-35.8	179.8	-60.7	0	0	0	0	112.6	A379 A383 T402 L403 K408 Y409 V412	A379-C406 HydrophobicContact CB-CB 4.32Å; A383-C406 HydrophobicContact CB-CB 4.18Å; T402-C406 PolarHBondContact O-N 3.36Å; T402-C406 VanDerWaalsContact O-N 3.11Å; T402-C406 PolarHBondContact O-SG 2.85Å; L403-C406 CarbonylContact O-C 3.52Å; L403-C406 WeakPolarHBondContact O-CA 3.32Å; L403-C406 WeakPolarHBondContact O-CB 3.31Å; L403-C406 PolarHBondContact O-N 3.36Å; C406-K408 PolarHBondContact O-N 3.48Å; C406-K408 VanDerWaalsContact O-N 3.09Å; C406-Y409 WeakPolarHBondContact O-CD2 3.46Å; C406-Y409 PolarHBondContact O-N 2.85Å; C406-Y409 VanDerWaalsContact O-N 3.14Å; C406-V412 HydrophobicContact CB-CG1 3.98Å; C406-V412 WeakPolarHBondContact O-CB 3.4Å
407	I	97.5	Very high	96	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.1	179.9	67.4	179.1	0	0	0	112.6	L403 Y404 Y409 V412 V416 E446 V447 V450 H451	L403-I407 HydrophobicContact CG-CG2 4.36Å; L403-I407 WeakPolarHBondContact O-CG2 3.28Å; L403-I407 PolarHBondContact O-N 3.25Å; Y404-I407 HydrophobicContact CD1-CD1 4.05Å; Y404-I407 WeakPolarHBondContact O-CG1 3.45Å; I407-Y409 CarbonylContact O-C 3.58Å; I407-Y409 PolarHBondContact O-N 3.16Å; I407-V412 HydrophobicContact CG2-CG1 4.46Å; I407-V416 HydrophobicContact CG2-CB 4.47Å; I407-V416 HydrophobicContact CG2-CG2 4Å; I407-E446 HydrophobicContact CD1-CB 4.14Å; I407-V447 HydrophobicContact CB-CG2 4.45Å; I407-V447 HydrophobicContact CD1-CG2 4.19Å; I407-V447 HydrophobicContact CG2-CG2 4.1Å; I407-V450 HydrophobicContact CD1-CG2 4.23Å; I407-H451 PolarHBondContact O-NE2 3.43Å
408	K	96.5	Very high	96.3	Very high	133 Å²	133	41.7 Å²	41.7	58%	0.578	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-25	172.5	-67	179.6	-179.8	171.4	0	112.9	C406	C406-K408 PolarHBondContact O-N 3.48Å; C406-K408 VanDerWaalsContact O-N 3.09Å
409	Y	97.4	Very high	96.5	Very high	66 Å²	66	38.2 Å²	38.2	26%	0.259	19%	0.187	S	C	.	.	S	Bend	trans	-84.6	119.4	170.7	-62.8	-90.1	0	0	0	109.9	S375 T376 A379 C406 I407 V411 V412 G413	S375-Y409 WeakPolarHBondContact CB-OH 3.43Å; S375-Y409 PolarHBondContact OG-OH 2.93Å; T376-Y409 HydrophobicContact CG2-CD1 4.41Å; T376-Y409 WeakPolarHBondContact OG1-CD1 3.25Å; A379-Y409 HydrophobicContact CB-CD2 3.41Å; A379-Y409 VanDerWaalsContact CB-CD2 3.41Å; A379-Y409 HydrophobicContact CB-CE2 3.7Å; A379-Y409 HydrophobicContact CB-CG 4.03Å; C406-Y409 WeakPolarHBondContact O-CD2 3.46Å; C406-Y409 PolarHBondContact O-N 2.85Å; C406-Y409 VanDerWaalsContact O-N 3.14Å; I407-Y409 CarbonylContact O-C 3.58Å; I407-Y409 PolarHBondContact O-N 3.16Å; Y409-V411 VanDerWaalsContact C-N 3.26Å; Y409-V411 PolarHBondContact O-N 3.29Å; Y409-V411 VanDerWaalsContact O-N 3.12Å; Y409-V412 WeakPolarHBondContact O-CA 3.44Å; Y409-V412 WeakPolarHBondContact O-CB 3.22Å; Y409-V412 PolarHBondContact O-N 3.2Å; Y409-G413 PolarHBondContact O-N 3.37Å; Y409-G413 VanDerWaalsContact O-N 3.15Å
410	P	96.5	Very high	96.6	Very high	74 Å²	74	34.9 Å²	34.9	48%	0.481	17%	0.172	S	C	.	.	H	α-helix	trans	-54.7	-37.6	-174.9	-27.6	33.6	0	0	0	114.4	V412 G413 V414	P410-V412 VanDerWaalsContact C-N 3.27Å; P410-V412 PolarHBondContact O-N 3.36Å; P410-G413 WeakPolarHBondContact O-CA 3.48Å; P410-G413 PolarHBondContact O-N 3.41Å; P410-G413 VanDerWaalsContact O-N 3.09Å; P410-V414 WeakPolarHBondContact O-CG2 3.34Å; P410-V414 PolarHBondContact O-N 3.43Å
411	V	97.7	Very high	96.7	Very high	17 Å²	17	35 Å²	35	10%	0.103	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-31.6	178.1	69	0	0	0	0	112.9	L347 T376 I380 Y409 G415	L347-V411 HydrophobicContact CD1-CG2 3.65Å; L347-V411 HydrophobicContact CD2-CG2 3.99Å; L347-V411 HydrophobicContact CG-CG2 3.63Å; T376-V411 HydrophobicContact CG2-CG1 3.79Å; I380-V411 HydrophobicContact CD1-CG1 3.99Å; I380-V411 HydrophobicContact CG1-CG1 4.19Å; Y409-V411 VanDerWaalsContact C-N 3.26Å; Y409-V411 PolarHBondContact O-N 3.29Å; Y409-V411 VanDerWaalsContact O-N 3.12Å; V411-G415 PolarHBondContact O-N 3.01Å; V411-G415 VanDerWaalsContact O-N 3.08Å
412	V	98.1	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-73.2	-39.8	173.1	178.7	0	0	0	0	109.7	A379 I380 A383 C406 I407 Y409 P410 V414 G415 V416	A379-V412 HydrophobicContact CB-CG2 4.07Å; I380-V412 HydrophobicContact CG1-CG2 3.9Å; A383-V412 HydrophobicContact CB-CG1 3.54Å; C406-V412 HydrophobicContact CB-CG1 3.98Å; C406-V412 WeakPolarHBondContact O-CB 3.4Å; I407-V412 HydrophobicContact CG2-CG1 4.46Å; Y409-V412 WeakPolarHBondContact O-CA 3.44Å; Y409-V412 WeakPolarHBondContact O-CB 3.22Å; Y409-V412 PolarHBondContact O-N 3.2Å; P410-V412 VanDerWaalsContact C-N 3.27Å; P410-V412 PolarHBondContact O-N 3.36Å; V412-V414 VanDerWaalsContact C-N 3.31Å; V412-V414 PolarHBondContact O-N 3.01Å; V412-G415 CarbonylContact O-C 3.54Å; V412-G415 WeakPolarHBondContact O-CA 3.37Å; V412-G415 PolarHBondContact O-N 3.44Å; V412-G415 VanDerWaalsContact O-N 3.11Å; V412-V416 HydrophobicContact CG1-CG2 4.14Å; V412-V416 WeakPolarHBondContact O-CB 3.49Å; V412-V416 WeakPolarHBondContact O-CG2 3.39Å; V412-V416 PolarHBondContact O-N 3.42Å
413	G	97.8	Very high	96.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-54.2	-46.4	171.6	0	0	0	0	0	112.4	Y409 P410 G415 V416 I417	Y409-G413 PolarHBondContact O-N 3.37Å; Y409-G413 VanDerWaalsContact O-N 3.15Å; P410-G413 WeakPolarHBondContact O-CA 3.48Å; P410-G413 PolarHBondContact O-N 3.41Å; P410-G413 VanDerWaalsContact O-N 3.09Å; G413-G415 PolarHBondContact O-N 2.83Å; G413-V416 PolarHBondContact O-N 3.09Å; G413-I417 VanDerWaalsContact O-CG1 3.31Å; G413-I417 WeakPolarHBondContact O-CG1 3.29Å; G413-I417 PolarHBondContact O-N 3.21Å
414	V	97.9	Very high	96.2	Very high	42 Å²	42	29.9 Å²	29.9	26%	0.255	15%	0.147	S	C	.	.	H	α-helix	trans	-60.1	-44.9	174.1	175.9	0	0	0	0	111.7	V325 P410 V412 I417 R418 L454	V325-V414 HydrophobicContact CG1-CG1 4.43Å; V325-V414 HydrophobicContact CG2-CG1 4.32Å; P410-V414 WeakPolarHBondContact O-CG2 3.34Å; P410-V414 PolarHBondContact O-N 3.43Å; V412-V414 VanDerWaalsContact C-N 3.31Å; V412-V414 PolarHBondContact O-N 3.01Å; V414-I417 PolarHBondContact O-N 3.07Å; V414-R418 PolarHBondContact O-N 3.34Å; V414-R418 VanDerWaalsContact O-N 3.08Å; V414-L454 HydrophobicContact CG2-CD1 4.18Å; V414-L454 HydrophobicContact CG2-CD2 3.66Å
415	G	97.6	Very high	95.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-45.4	176.4	0	0	0	0	0	113	F329 V411 V412 G413 R418 W419	F329-G415 VanDerWaalsContact CB-O 3.28Å; F329-G415 WeakPolarHBondContact CB-O 3.25Å; F329-G415 VanDerWaalsContact CD1-C 3.48Å; V411-G415 PolarHBondContact O-N 3.01Å; V411-G415 VanDerWaalsContact O-N 3.08Å; V412-G415 CarbonylContact O-C 3.54Å; V412-G415 WeakPolarHBondContact O-CA 3.37Å; V412-G415 PolarHBondContact O-N 3.44Å; V412-G415 VanDerWaalsContact O-N 3.11Å; G413-G415 PolarHBondContact O-N 2.83Å; G415-R418 PolarHBondContact O-N 2.9Å; G415-W419 PolarHBondContact O-N 3.05Å
416	V	97	Very high	95.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-40.6	178.6	169	0	0	0	0	111.5	L403 I407 V412 G413 R418 W419 I420 V443 V447	L403-V416 HydrophobicContact CD1-CG2 3.79Å; L403-V416 HydrophobicContact CG-CG2 4.44Å; I407-V416 HydrophobicContact CG2-CB 4.47Å; I407-V416 HydrophobicContact CG2-CG2 4Å; V412-V416 HydrophobicContact CG1-CG2 4.14Å; V412-V416 WeakPolarHBondContact O-CB 3.49Å; V412-V416 WeakPolarHBondContact O-CG2 3.39Å; V412-V416 PolarHBondContact O-N 3.42Å; G413-V416 PolarHBondContact O-N 3.09Å; V416-R418 VanDerWaalsContact C-N 3.33Å; V416-R418 PolarHBondContact O-N 3.4Å; V416-W419 HydrophobicContact CG1-CE3 4.38Å; V416-W419 PolarHBondContact O-N 3.48Å; V416-I420 HydrophobicContact CG1-CD1 3.56Å; V416-I420 HydrophobicContact CG1-CG1 4.38Å; V416-I420 WeakPolarHBondContact O-CB 3.31Å; V416-I420 WeakPolarHBondContact O-CD1 3.2Å; V416-I420 VanDerWaalsContact O-CG1 3.29Å; V416-I420 WeakPolarHBondContact O-CG1 3.44Å; V416-I420 PolarHBondContact O-N 3.07Å; V416-V443 HydrophobicContact CG1-CG1 3.59Å; V416-V447 HydrophobicContact CG1-CG2 4.01Å
417	I	97.4	Very high	95	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-45.4	172.9	-67.4	164	0	0	0	110.5	G413 V414 I420 E421 L444 V447 L454 Q457 I458	G413-I417 VanDerWaalsContact O-CG1 3.31Å; G413-I417 WeakPolarHBondContact O-CG1 3.29Å; G413-I417 PolarHBondContact O-N 3.21Å; V414-I417 PolarHBondContact O-N 3.07Å; I417-I420 PolarHBondContact O-N 3.28Å; I417-E421 VanDerWaalsContact O-CB 3.25Å; I417-E421 WeakPolarHBondContact O-CB 3.29Å; I417-E421 PolarHBondContact O-N 3.47Å; I417-L444 HydrophobicContact CG1-CD2 4.07Å; I417-V447 HydrophobicContact CD1-CG1 3.88Å; I417-V447 HydrophobicContact CG1-CG1 4.04Å; I417-L454 HydrophobicContact CD1-CB 3.87Å; I417-L454 HydrophobicContact CD1-CD1 3.98Å; I417-L454 HydrophobicContact CD1-CG 4.38Å; I417-Q457 HydrophobicContact CG2-CG 4.1Å; I417-I458 HydrophobicContact CD1-CD1 4.09Å; I417-I458 HydrophobicContact CD1-CG1 3.7Å; I417-I458 HydrophobicContact CG1-CD1 4.41Å; I417-I458 HydrophobicContact CG1-CG1 3.97Å
418	R	96.2	Very high	94.5	Very high	49 Å²	49	37.1 Å²	37.1	19%	0.185	19%	0.194	C	C	.	.	H	α-helix	trans	-65.8	-39.6	179	177.9	52	58.8	95.1	3.1	112.5	V325 D326 V414 G415 V416 E421 N422	V325-R418 HydrophobicContact CG1-CB 3.87Å; V325-R418 HydrophobicContact CG1-CG 4.05Å; D326-R418 IonicContact OD1-CZ 3.85Å; D326-R418 IonicContact OD1-NH1 3.93Å; D326-R418 PolarHBondContact OD1-NH1 3.03Å; D326-R418 IonicContact OD2-NH1 3.72Å; D326-R418 PolarHBondContact OD2-NH1 3.2Å; D326-R418 VanDerWaalsContact OD2-NH1 3.11Å; V414-R418 PolarHBondContact O-N 3.34Å; V414-R418 VanDerWaalsContact O-N 3.08Å; G415-R418 PolarHBondContact O-N 2.9Å; V416-R418 VanDerWaalsContact C-N 3.33Å; V416-R418 PolarHBondContact O-N 3.4Å; R418-E421 IonicContact CZ-OE2 2.64Å; R418-E421 IonicContact NE-OE2 3.36Å; R418-E421 PolarHBondContact NE-OE2 3.03Å; R418-E421 IonicContact NH2-OE2 3.17Å; R418-N422 PolarHBondContact O-N 2.97Å
419	W	95.5	Very high	94.1	Very high	6 Å²	6	32.2 Å²	32.2	2%	0.023	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-51.9	174	168.5	58.4	0	0	0	111.1	F329 C387 L396 L403 G415 V416 E421 N422 V423 H440	F329-W419 HydrophobicContact CB-CB 4.4Å; F329-W419 VanDerWaalsContact O-CA 3.28Å; F329-W419 WeakPolarHBondContact O-CA 3.31Å; F329-W419 VanDerWaalsContact O-CB 3.25Å; F329-W419 WeakPolarHBondContact O-CB 3.08Å; C387-W419 HydrophobicContact CB-CB 4.08Å; C387-W419 HydrophobicContact CB-CD2 3.8Å; C387-W419 HydrophobicContact CB-CE3 4.44Å; C387-W419 HydrophobicContact CB-CG 3.58Å; C387-W419 PolarHBondContact O-NE1 2.86Å; L396-W419 HydrophobicContact CD1-CH2 3.62Å; L396-W419 HydrophobicContact CD1-CZ2 4.49Å; L396-W419 HydrophobicContact CD1-CZ3 4.38Å; L396-W419 HydrophobicContact CD2-CH2 3.8Å; L396-W419 HydrophobicContact CG-CH2 4.36Å; L403-W419 HydrophobicContact CD2-CZ3 4.21Å; G415-W419 PolarHBondContact O-N 3.05Å; V416-W419 HydrophobicContact CG1-CE3 4.38Å; V416-W419 PolarHBondContact O-N 3.48Å; W419-E421 PolarHBondContact O-N 3.44Å; W419-N422 WeakPolarHBondContact O-CB 3.45Å; W419-N422 PolarHBondContact O-N 3.03Å; W419-N422 VanDerWaalsContact O-N 3.09Å; W419-V423 WeakPolarHBondContact O-CG2 3.5Å; W419-V423 PolarHBondContact O-N 3.41Å; W419-H440 AromaticContact CH2-CD2 3.55Å; W419-H440 AromaticContact CH2-NE2 3.79Å; W419-H440 AromaticContact CZ2-CD2 3.77Å; W419-H440 AromaticContact CZ2-NE2 3.68Å
420	I	94.9	Very high	93.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-45.9	179.7	-68.5	161.9	0	0	0	110.4	V416 I417 N422 V423 V424 H440 V443 L444 L461	V416-I420 HydrophobicContact CG1-CD1 3.56Å; V416-I420 HydrophobicContact CG1-CG1 4.38Å; V416-I420 WeakPolarHBondContact O-CB 3.31Å; V416-I420 WeakPolarHBondContact O-CD1 3.2Å; V416-I420 VanDerWaalsContact O-CG1 3.29Å; V416-I420 WeakPolarHBondContact O-CG1 3.44Å; V416-I420 PolarHBondContact O-N 3.07Å; I417-I420 PolarHBondContact O-N 3.28Å; I420-N422 VanDerWaalsContact C-N 3.25Å; I420-N422 PolarHBondContact O-N 3.23Å; I420-V423 PolarHBondContact O-N 3.27Å; I420-V424 HydrophobicContact CG2-CG1 3.82Å; I420-V424 HydrophobicContact CG2-CG2 4.32Å; I420-V424 WeakPolarHBondContact O-CG1 3.47Å; I420-V424 WeakPolarHBondContact O-CG2 3.47Å; I420-V424 PolarHBondContact O-N 3.15Å; I420-H440 WeakPolarHBondContact CD1-O 3.46Å; I420-H440 HydrophobicContact CG1-CB 4.33Å; I420-H440 HydrophobicContact CG2-CB 4.09Å; I420-V443 HydrophobicContact CD1-CB 3.92Å; I420-V443 HydrophobicContact CD1-CG1 3.77Å; I420-L444 HydrophobicContact CB-CD2 4.08Å; I420-L444 HydrophobicContact CB-CG 4.41Å; I420-L444 HydrophobicContact CD1-CD2 3.6Å; I420-L444 HydrophobicContact CD1-CG 3.84Å; I420-L444 HydrophobicContact CG1-CD2 4.45Å; I420-L444 HydrophobicContact CG2-CD1 3.76Å; I420-L444 HydrophobicContact CG2-CD2 3.97Å; I420-L444 HydrophobicContact CG2-CG 3.8Å; I420-L461 HydrophobicContact CG2-CD2 4.5Å
421	E	95.1	Very high	93.1	Very high	32 Å²	32	30.7 Å²	30.7	15%	0.15	16%	0.159	C	C	.	.	H	α-helix	trans	-49.6	-47.5	173.1	171.6	178.4	-163.3	0	0	111.3	I417 R418 W419 M425 L461 R464	I417-E421 VanDerWaalsContact O-CB 3.25Å; I417-E421 WeakPolarHBondContact O-CB 3.29Å; I417-E421 PolarHBondContact O-N 3.47Å; R418-E421 IonicContact CZ-OE2 2.64Å; R418-E421 IonicContact NE-OE2 3.36Å; R418-E421 PolarHBondContact NE-OE2 3.03Å; R418-E421 IonicContact NH2-OE2 3.17Å; W419-E421 PolarHBondContact O-N 3.44Å; E421-M425 HydrophobicContact CG-CG 4.35Å; E421-M425 WeakPolarHBondContact O-CB 3.31Å; E421-M425 WeakPolarHBondContact O-CG 3.48Å; E421-M425 PolarHBondContact O-N 2.93Å; E421-L461 HydrophobicContact CB-CD1 3.94Å; E421-L461 HydrophobicContact CB-CD2 3.99Å; E421-L461 HydrophobicContact CG-CD1 3.89Å; E421-R464 IonicContact OE1-CZ 3.35Å; E421-R464 IonicContact OE1-NH1 3.86Å; E421-R464 PolarHBondContact OE1-NH1 3.29Å; E421-R464 IonicContact OE1-NH2 2.69Å
422	N	92.8	Very high	92.5	Very high	41 Å²	41	36.3 Å²	36.3	22%	0.219	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-39.8	179.3	176.6	-132.1	0	0	0	112.5	R330 S331 R418 W419 I420	R330-N422 HydrophobicContact CG-CB 4.43Å; S331-N422 WeakPolarHBondContact CB-OD1 3.43Å; S331-N422 PolarHBondContact N-OD1 3.32Å; R418-N422 PolarHBondContact O-N 2.97Å; W419-N422 WeakPolarHBondContact O-CB 3.45Å; W419-N422 PolarHBondContact O-N 3.03Å; W419-N422 VanDerWaalsContact O-N 3.09Å; I420-N422 VanDerWaalsContact C-N 3.25Å; I420-N422 PolarHBondContact O-N 3.23Å
423	V	91.5	Very high	91.5	Very high	25 Å²	25	37.9 Å²	37.9	15%	0.152	20%	0.198	C	C	.	.	H	α-helix	trans	-70.7	-48.6	-179.2	173.4	0	0	0	0	112.2	W419 I420 M425 E426 Y429	W419-V423 WeakPolarHBondContact O-CG2 3.5Å; W419-V423 PolarHBondContact O-N 3.41Å; I420-V423 PolarHBondContact O-N 3.27Å; V423-M425 VanDerWaalsContact C-N 3.34Å; V423-M425 PolarHBondContact O-N 3.16Å; V423-E426 WeakPolarHBondContact O-CB 3.31Å; V423-E426 PolarHBondContact O-N 3.08Å; V423-Y429 HydrophobicContact CG1-CD2 3.69Å; V423-Y429 HydrophobicContact CG1-CE2 3.6Å
424	V	91.2	Very high	90.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-78.5	-18.7	-173.6	-55.8	0	0	0	0	113.3	I420 E426 Y429 F430 H440 L441 L461 L465	I420-V424 HydrophobicContact CG2-CG1 3.82Å; I420-V424 HydrophobicContact CG2-CG2 4.32Å; I420-V424 WeakPolarHBondContact O-CG1 3.47Å; I420-V424 WeakPolarHBondContact O-CG2 3.47Å; I420-V424 PolarHBondContact O-N 3.15Å; V424-E426 VanDerWaalsContact C-N 3.33Å; V424-Y429 HydrophobicContact CB-CD1 4.15Å; V424-Y429 HydrophobicContact CB-CE1 4.17Å; V424-Y429 HydrophobicContact CG1-CD1 4.23Å; V424-Y429 HydrophobicContact CG1-CE1 3.78Å; V424-Y429 HydrophobicContact CG1-CE2 4.29Å; V424-F430 WeakPolarHBondContact O-CE2 3.48Å; V424-H440 HydrophobicContact CG1-CB 4.06Å; V424-L441 HydrophobicContact CG1-CD2 4.18Å; V424-L461 HydrophobicContact CG2-CD1 4.38Å; V424-L465 HydrophobicContact CB-CD1 4.5Å; V424-L465 HydrophobicContact CG2-CD1 3.74Å; V424-L465 HydrophobicContact CG2-CD2 4.01Å; V424-L465 HydrophobicContact CG2-CG 4.4Å
425	M	90.9	Very high	89.1	Confident	64 Å²	64	46 Å²	46	32%	0.315	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-8.1	174.4	-68.9	-69.5	-53.8	0	0	113	E421 V423 L461 L465	E421-M425 HydrophobicContact CG-CG 4.35Å; E421-M425 WeakPolarHBondContact O-CB 3.31Å; E421-M425 WeakPolarHBondContact O-CG 3.48Å; E421-M425 PolarHBondContact O-N 2.93Å; V423-M425 VanDerWaalsContact C-N 3.34Å; V423-M425 PolarHBondContact O-N 3.16Å; M425-L461 HydrophobicContact CG-CD1 4.37Å; M425-L461 HydrophobicContact SD-CD1 4.44Å; M425-L465 HydrophobicContact CG-CD2 4.44Å; M425-L465 HydrophobicContact SD-CD2 3.57Å; M425-L465 VanDerWaalsContact SD-CD2 3.57Å; M425-L465 HydrophobicContact SD-CG 4.2Å
426	E	89.4	Confident	87.9	Confident	97 Å²	97	51.6 Å²	51.6	45%	0.453	29%	0.285	S	S	.	.	S	Bend	trans	-64.4	128.8	171.9	-73.9	-61.8	145.3	0	0	110	V423 V424 S428 Y429	V423-E426 WeakPolarHBondContact O-CB 3.31Å; V423-E426 PolarHBondContact O-N 3.08Å; V424-E426 VanDerWaalsContact C-N 3.33Å; E426-S428 PolarHBondContact O-N 3.35Å; E426-Y429 VanDerWaalsContact O-CB 3.28Å; E426-Y429 WeakPolarHBondContact O-CB 3.34Å; E426-Y429 PolarHBondContact O-N 3.39Å
427	P	86	Confident	87	Confident	75 Å²	75	53.7 Å²	53.7	49%	0.487	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.7	-176.7	-27.3	34.7	0	0	0	114.7
428	S	86.8	Confident	86.5	Confident	58 Å²	58	53.8 Å²	53.8	41%	0.406	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.5	178.4	53.2	0	0	0	0	114.4	E426 K431 L432	E426-S428 PolarHBondContact O-N 3.35Å; S428-K431 WeakPolarHBondContact O-CB 3.39Å; S428-K431 PolarHBondContact O-N 3.46Å; S428-L432 WeakPolarHBondContact O-CG 3.4Å; S428-L432 PolarHBondContact O-N 2.8Å; S428-L432 VanDerWaalsContact O-N 3.14Å
429	Y	88.6	Confident	86.2	Confident	29 Å²	29	52.2 Å²	52.2	11%	0.114	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-55.6	-169.9	179.6	-96.6	0	0	0	112.5	V423 V424 E426 K431 L432 S433 P438 H440	V423-Y429 HydrophobicContact CG1-CD2 3.69Å; V423-Y429 HydrophobicContact CG1-CE2 3.6Å; V424-Y429 HydrophobicContact CB-CD1 4.15Å; V424-Y429 HydrophobicContact CB-CE1 4.17Å; V424-Y429 HydrophobicContact CG1-CD1 4.23Å; V424-Y429 HydrophobicContact CG1-CE1 3.78Å; V424-Y429 HydrophobicContact CG1-CE2 4.29Å; E426-Y429 VanDerWaalsContact O-CB 3.28Å; E426-Y429 WeakPolarHBondContact O-CB 3.34Å; E426-Y429 PolarHBondContact O-N 3.39Å; Y429-K431 PolarHBondContact O-N 2.82Å; Y429-L432 PolarHBondContact O-N 3.33Å; Y429-S433 WeakPolarHBondContact O-CB 3.49Å; Y429-S433 PolarHBondContact O-N 3.11Å; Y429-P438 HydrophobicContact CE1-CB 4.15Å; Y429-P438 HydrophobicContact CE1-CG 4.38Å; Y429-P438 WeakPolarHBondContact OH-CB 3.45Å; Y429-H440 AromaticContact CE2-CE1 3.98Å; Y429-H440 AromaticContact CE2-ND1 3.55Å; Y429-H440 AromaticContact CZ-ND1 3.66Å; Y429-H440 PolarHBondContact OH-ND1 2.9Å
430	F	88.4	Confident	86	Confident	13 Å²	13	52.8 Å²	52.8	6%	0.057	30%	0.298	C	S	.	.	H	α-helix	trans	-72.9	-15	-179.7	-64.9	-72	0	0	0	113.7	V424 L465 L473 M481 M484	V424-F430 WeakPolarHBondContact O-CE2 3.48Å; F430-L465 HydrophobicContact CE2-CD2 4.02Å; F430-L465 HydrophobicContact CZ-CD2 4.31Å; F430-L473 HydrophobicContact CB-CD1 3.9Å; F430-M481 HydrophobicContact CB-SD 4.22Å; F430-M481 HydrophobicContact CD1-CG 3.82Å; F430-M481 HydrophobicContact CD1-SD 3.92Å; F430-M481 HydrophobicContact CD2-SD 3.65Å; F430-M481 HydrophobicContact CE1-CG 3.94Å; F430-M481 HydrophobicContact CE1-SD 4.18Å; F430-M481 HydrophobicContact CE2-SD 3.93Å; F430-M481 HydrophobicContact CG-CG 4.17Å; F430-M481 HydrophobicContact CG-SD 3.65Å; F430-M481 HydrophobicContact CZ-CG 4.38Å; F430-M481 HydrophobicContact CZ-SD 4.18Å; F430-M484 HydrophobicContact CD1-CE 4.18Å; F430-M484 HydrophobicContact CE1-CE 3.65Å
431	K	85.1	Confident	85.9	Confident	96 Å²	96	52.8 Å²	52.8	42%	0.417	30%	0.298	S	S	.	.	H	α-helix	trans	-73.5	-35.9	170	-63	-175.5	-175.3	179.6	0	112.3	S428 Y429 E472 L473	S428-K431 WeakPolarHBondContact O-CB 3.39Å; S428-K431 PolarHBondContact O-N 3.46Å; Y429-K431 PolarHBondContact O-N 2.82Å; K431-E472 WeakPolarHBondContact CE-OE2 3.17Å; K431-E472 IonicContact NZ-OE1 3.88Å; K431-E472 PolarHBondContact NZ-OE1 3.2Å; K431-E472 IonicContact NZ-OE2 2.86Å; K431-E472 PolarHBondContact NZ-OE2 3.49Å; K431-L473 HydrophobicContact CB-CD2 4.45Å; K431-L473 HydrophobicContact CG-CD2 3.67Å
432	L	83.2	Confident	85.8	Confident	135 Å²	135	52.8 Å²	52.8	71%	0.707	30%	0.304	S	S	*	.	H	α-helix	trans	-91.3	-23.1	-175.3	-64.3	175.1	0	0	0	112.2	S428 Y429 T434	S428-L432 WeakPolarHBondContact O-CG 3.4Å; S428-L432 PolarHBondContact O-N 2.8Å; S428-L432 VanDerWaalsContact O-N 3.14Å; Y429-L432 PolarHBondContact O-N 3.33Å; L432-T434 PolarHBondContact O-N 3.4Å
433	S	79	Confident	85.9	Confident	32 Å²	32	50.8 Å²	50.8	22%	0.224	29%	0.293	C	S	.	.			trans	-81	114.6	177.4	-164.2	0	0	0	0	110.7	Y429 P438	Y429-S433 WeakPolarHBondContact O-CB 3.49Å; Y429-S433 PolarHBondContact O-N 3.11Å; S433-P438 WeakPolarHBondContact OG-CG 3.49Å
434	T	70	Confident	86.1	Confident	133 Å²	133	49.7 Å²	49.7	82%	0.816	29%	0.286	S	S	*	.			trans	-97.3	-3.3	175.8	54	0	0	0	0	113.3	L432	L432-T434 PolarHBondContact O-N 3.4Å
435	D	75.4	Confident	86.3	Confident	79 Å²	79	50.8 Å²	50.8	42%	0.422	29%	0.292	S	S	.	.	S	Bend	trans	-85.3	140.7	-171.6	-62.9	-31.8	0	0	0	111	C437	D435-C437 PolarHBondContact O-N 2.97Å
436	S	72.4	Confident	86.6	Confident	119 Å²	119	51.6 Å²	51.6	83%	0.832	30%	0.295	S	S	*	.	S	Bend	trans	-62.4	-26	177.4	56.7	0	0	0	0	113.5
437	C	77	Confident	87	Confident	43 Å²	43	47 Å²	47	29%	0.291	27%	0.273	S	S	.	.	S	Bend	trans	-137.8	101.8	168.7	-174.5	0	0	0	0	109.1	D435 T439	D435-C437 PolarHBondContact O-N 2.97Å; C437-T439 PolarHBondContact O-N 3.09Å
438	P	87.2	Confident	87.5	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.019	25%	0.25	C	S	.	.			trans	-58.6	133.2	177.1	-21.7	29.8	0	0	0	110.7	Y429 S433 H440 L441 A442 M484	Y429-P438 HydrophobicContact CE1-CB 4.15Å; Y429-P438 HydrophobicContact CE1-CG 4.38Å; Y429-P438 WeakPolarHBondContact OH-CB 3.45Å; S433-P438 WeakPolarHBondContact OG-CG 3.49Å; P438-H440 PolarHBondContact O-N 2.98Å; P438-L441 HydrophobicContact CG-CD1 4.4Å; P438-L441 PolarHBondContact O-N 3.45Å; P438-A442 PolarHBondContact O-N 3.15Å; P438-M484 WeakPolarHBondContact CD-SD 3.49Å; P438-M484 HydrophobicContact CG-CE 4.23Å; P438-M484 HydrophobicContact CG-SD 3.85Å
439	T	89.4	Confident	88	Confident	17 Å²	17	42.4 Å²	42.4	10%	0.104	25%	0.246	C	C	.	.	H	α-helix	trans	-51.7	-35.9	-175.3	-47.6	0	0	0	0	113	L396 I397 L400 C437 L441 A442 V443	L396-T439 HydrophobicContact CD2-CG2 3.84Å; L396-T439 HydrophobicContact CG-CG2 4.08Å; I397-T439 HydrophobicContact CG1-CG2 4.07Å; L400-T439 HydrophobicContact CD1-CG2 4.05Å; L400-T439 HydrophobicContact CD2-CG2 4.05Å; L400-T439 HydrophobicContact CG-CG2 4.43Å; C437-T439 PolarHBondContact O-N 3.09Å; T439-L441 VanDerWaalsContact C-N 3.35Å; T439-L441 PolarHBondContact O-N 2.98Å; T439-A442 PolarHBondContact O-N 3.36Å; T439-V443 WeakPolarHBondContact O-CG2 3.36Å; T439-V443 PolarHBondContact O-N 3.28Å
440	H	92	Very high	88.4	Confident	18 Å²	18	44 Å²	44	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-39.6	176.8	-59.3	93.3	0	0	0	113.1	W419 I420 V424 Y429 P438 V443 L444	W419-H440 AromaticContact CH2-CD2 3.55Å; W419-H440 AromaticContact CH2-NE2 3.79Å; W419-H440 AromaticContact CZ2-CD2 3.77Å; W419-H440 AromaticContact CZ2-NE2 3.68Å; I420-H440 WeakPolarHBondContact CD1-O 3.46Å; I420-H440 HydrophobicContact CG1-CB 4.33Å; I420-H440 HydrophobicContact CG2-CB 4.09Å; V424-H440 HydrophobicContact CG1-CB 4.06Å; Y429-H440 AromaticContact CE2-CE1 3.98Å; Y429-H440 AromaticContact CE2-ND1 3.55Å; Y429-H440 AromaticContact CZ-ND1 3.66Å; Y429-H440 PolarHBondContact OH-ND1 2.9Å; P438-H440 PolarHBondContact O-N 2.98Å; H440-V443 PolarHBondContact O-N 3.14Å; H440-L444 PolarHBondContact O-N 2.82Å
441	L	93.5	Very high	88.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-73.7	-34.3	178.6	-61.2	-175.8	0	0	0	111.5	V424 P438 T439 V443 L444 D445 M484 R488	V424-L441 HydrophobicContact CG1-CD2 4.18Å; P438-L441 HydrophobicContact CG-CD1 4.4Å; P438-L441 PolarHBondContact O-N 3.45Å; T439-L441 VanDerWaalsContact C-N 3.35Å; T439-L441 PolarHBondContact O-N 2.98Å; L441-V443 VanDerWaalsContact C-N 3.27Å; L441-V443 PolarHBondContact O-N 3.07Å; L441-L444 HydrophobicContact CD2-CD1 3.89Å; L441-L444 WeakPolarHBondContact O-CB 3.46Å; L441-L444 PolarHBondContact O-N 3.46Å; L441-L444 VanDerWaalsContact O-N 3.1Å; L441-D445 PolarHBondContact O-N 2.9Å; L441-M484 HydrophobicContact CD1-CE 3.77Å; L441-M484 HydrophobicContact CD1-SD 4.18Å; L441-R488 HydrophobicContact CB-CG 4.49Å
442	A	92.5	Very high	89.3	Confident	31 Å²	31	43.8 Å²	43.8	26%	0.256	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-35	172.1	0	0	0	0	0	112.1	P438 T439 L444 D445 E446	P438-A442 PolarHBondContact O-N 3.15Å; T439-A442 PolarHBondContact O-N 3.36Å; A442-L444 VanDerWaalsContact C-N 3.33Å; A442-L444 PolarHBondContact O-N 2.91Å; A442-D445 WeakPolarHBondContact O-CB 3.49Å; A442-D445 PolarHBondContact O-N 3.14Å; A442-E446 PolarHBondContact O-N 3.41Å
443	V	94.5	Very high	89.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-36.1	173.2	176.1	0	0	0	0	111.5	L400 L403 Y404 V416 I420 T439 H440 L441 D445 E446 V447	L400-V443 HydrophobicContact CD2-CG2 3.51Å; L403-V443 HydrophobicContact CD2-CG1 3.82Å; L403-V443 HydrophobicContact CD2-CG2 4.26Å; Y404-V443 HydrophobicContact CE1-CG2 4.25Å; V416-V443 HydrophobicContact CG1-CG1 3.59Å; I420-V443 HydrophobicContact CD1-CB 3.92Å; I420-V443 HydrophobicContact CD1-CG1 3.77Å; T439-V443 WeakPolarHBondContact O-CG2 3.36Å; T439-V443 PolarHBondContact O-N 3.28Å; H440-V443 PolarHBondContact O-N 3.14Å; L441-V443 VanDerWaalsContact C-N 3.27Å; L441-V443 PolarHBondContact O-N 3.07Å; V443-D445 VanDerWaalsContact C-N 3.3Å; V443-D445 PolarHBondContact O-N 2.95Å; V443-E446 PolarHBondContact O-N 3.33Å; V443-V447 WeakPolarHBondContact O-CG2 3.39Å; V443-V447 PolarHBondContact O-N 3.33Å
444	L	95.9	Very high	90.6	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-39.6	173.8	-67.4	176.7	0	0	0	111.8	I417 I420 H440 L441 A442 E446 V447 A448 I458 L461	I417-L444 HydrophobicContact CG1-CD2 4.07Å; I420-L444 HydrophobicContact CB-CD2 4.08Å; I420-L444 HydrophobicContact CB-CG 4.41Å; I420-L444 HydrophobicContact CD1-CD2 3.6Å; I420-L444 HydrophobicContact CD1-CG 3.84Å; I420-L444 HydrophobicContact CG1-CD2 4.45Å; I420-L444 HydrophobicContact CG2-CD1 3.76Å; I420-L444 HydrophobicContact CG2-CD2 3.97Å; I420-L444 HydrophobicContact CG2-CG 3.8Å; H440-L444 PolarHBondContact O-N 2.82Å; L441-L444 HydrophobicContact CD2-CD1 3.89Å; L441-L444 WeakPolarHBondContact O-CB 3.46Å; L441-L444 PolarHBondContact O-N 3.46Å; L441-L444 VanDerWaalsContact O-N 3.1Å; A442-L444 VanDerWaalsContact C-N 3.33Å; A442-L444 PolarHBondContact O-N 2.91Å; L444-E446 VanDerWaalsContact C-N 3.29Å; L444-E446 PolarHBondContact O-N 2.99Å; L444-V447 PolarHBondContact O-N 3.25Å; L444-A448 WeakPolarHBondContact O-CB 3.46Å; L444-A448 PolarHBondContact O-N 3.39Å; L444-I458 HydrophobicContact CB-CG2 4.19Å; L444-I458 HydrophobicContact CD1-CG2 4.47Å; L444-I458 HydrophobicContact CD2-CG1 4.47Å; L444-L461 HydrophobicContact CD1-CD2 3.84Å; L444-L461 HydrophobicContact CD2-CD2 4.47Å
445	D	96	Very high	91.9	Very high	23 Å²	23	36.8 Å²	36.8	12%	0.123	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-41.1	177	-72.6	-23.5	0	0	0	111.5	L441 A442 V443 A448 A449 R488 N491	L441-D445 PolarHBondContact O-N 2.9Å; A442-D445 WeakPolarHBondContact O-CB 3.49Å; A442-D445 PolarHBondContact O-N 3.14Å; V443-D445 VanDerWaalsContact C-N 3.3Å; V443-D445 PolarHBondContact O-N 2.95Å; D445-A448 PolarHBondContact O-N 2.95Å; D445-A449 WeakPolarHBondContact O-CB 3.35Å; D445-A449 PolarHBondContact O-N 3.14Å; D445-R488 IonicContact OD1-NE 2.69Å; D445-R488 WeakPolarHBondContact OD2-CD 3.38Å; D445-R488 IonicContact OD2-CZ 3.28Å; D445-R488 IonicContact OD2-NE 2.94Å; D445-R488 PolarHBondContact OD2-NE 3.32Å; D445-N491 VanDerWaalsContact CB-ND2 3.27Å; D445-N491 WeakPolarHBondContact CB-ND2 3.46Å; D445-N491 PolarHBondContact OD1-ND2 3.42Å
446	E	96.3	Very high	92.7	Very high	80 Å²	80	39.9 Å²	39.9	37%	0.374	24%	0.239	S	C	.	.	H	α-helix	trans	-67.7	-40.1	174.8	-69.3	-61.4	150.4	0	0	112.4	Y404 I407 A442 V443 L444 A448 A449 V450	Y404-E446 HydrophobicContact CD1-CB 4.26Å; Y404-E446 HydrophobicContact CD1-CG 4.37Å; Y404-E446 HydrophobicContact CE1-CB 3.87Å; Y404-E446 HydrophobicContact CE1-CG 3.71Å; Y404-E446 HydrophobicContact CE2-CG 4.31Å; I407-E446 HydrophobicContact CD1-CB 4.14Å; A442-E446 PolarHBondContact O-N 3.41Å; V443-E446 PolarHBondContact O-N 3.33Å; L444-E446 VanDerWaalsContact C-N 3.29Å; L444-E446 PolarHBondContact O-N 2.99Å; E446-A448 VanDerWaalsContact C-N 3.33Å; E446-A448 PolarHBondContact O-N 2.95Å; E446-A449 PolarHBondContact O-N 3.15Å; E446-V450 WeakPolarHBondContact O-CG2 3.45Å; E446-V450 PolarHBondContact O-N 2.93Å
447	V	97.7	Very high	93.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-41.8	174.3	177.7	0	0	0	0	110.9	I407 V416 I417 V443 L444 A449 V450 H451 L454 I458	I407-V447 HydrophobicContact CB-CG2 4.45Å; I407-V447 HydrophobicContact CD1-CG2 4.19Å; I407-V447 HydrophobicContact CG2-CG2 4.1Å; V416-V447 HydrophobicContact CG1-CG2 4.01Å; I417-V447 HydrophobicContact CD1-CG1 3.88Å; I417-V447 HydrophobicContact CG1-CG1 4.04Å; V443-V447 WeakPolarHBondContact O-CG2 3.39Å; V443-V447 PolarHBondContact O-N 3.33Å; L444-V447 PolarHBondContact O-N 3.25Å; V447-A449 VanDerWaalsContact C-N 3.3Å; V447-A449 PolarHBondContact O-N 2.94Å; V447-V450 PolarHBondContact O-N 2.87Å; V447-H451 PolarHBondContact O-N 3.29Å; V447-L454 HydrophobicContact CG1-CD1 3.99Å; V447-I458 HydrophobicContact CB-CD1 4.22Å; V447-I458 HydrophobicContact CG1-CD1 4.1Å
448	A	97	Very high	94.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-34.2	176.5	0	0	0	0	0	113	L444 D445 E446 Q455 I458 L492	L444-A448 WeakPolarHBondContact O-CB 3.46Å; L444-A448 PolarHBondContact O-N 3.39Å; D445-A448 PolarHBondContact O-N 2.95Å; E446-A448 VanDerWaalsContact C-N 3.33Å; E446-A448 PolarHBondContact O-N 2.95Å; A448-Q455 HydrophobicContact CB-CG 4.21Å; A448-Q455 PolarHBondContact O-NE2 3.14Å; A448-I458 HydrophobicContact CB-CD1 3.66Å; A448-L492 HydrophobicContact CB-CD2 3.52Å
449	A	96.4	Very high	95.3	Very high	38 Å²	38	35.5 Å²	35.5	31%	0.314	20%	0.201	S	C	.	.	H	α-helix	trans	-71.4	-38.1	176.9	0	0	0	0	0	112.2	D445 E446 V447	D445-A449 WeakPolarHBondContact O-CB 3.35Å; D445-A449 PolarHBondContact O-N 3.14Å; E446-A449 PolarHBondContact O-N 3.15Å; V447-A449 VanDerWaalsContact C-N 3.3Å; V447-A449 PolarHBondContact O-N 2.94Å
450	V	96.9	Very high	95.6	Very high	62 Å²	62	40.6 Å²	40.6	38%	0.376	22%	0.221	S	C	.	.	H	α-helix	trans	-79.4	-36.2	-179.7	-179.9	0	0	0	0	112	I407 E446 V447	I407-V450 HydrophobicContact CD1-CG2 4.23Å; E446-V450 WeakPolarHBondContact O-CG2 3.45Å; E446-V450 PolarHBondContact O-N 2.93Å; V447-V450 PolarHBondContact O-N 2.87Å
451	H	96.9	Very high	95.8	Very high	16 Å²	16	39.9 Å²	39.9	7%	0.074	22%	0.218	C	C	.	.			trans	-125	93.2	-172.7	-60.2	-68.9	0	0	0	113.1	I407 V447 T453 L454	I407-H451 PolarHBondContact O-NE2 3.43Å; V447-H451 PolarHBondContact O-N 3.29Å; H451-T453 PolarHBondContact O-N 3.11Å; H451-T453 VanDerWaalsContact O-N 3.14Å; H451-L454 HydrophobicContact CB-CB 3.98Å; H451-L454 HydrophobicContact CB-CD1 3.72Å; H451-L454 HydrophobicContact CB-CG 3.71Å; H451-L454 PolarHBondContact O-N 3.42Å
452	P	96	Very high	96	Very high	89 Å²	89	39.9 Å²	39.9	58%	0.578	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-54.7	-33.9	174.6	-27.9	35.7	0	0	0	113.7	L454 Q455	P452-L454 PolarHBondContact O-N 2.97Å; P452-Q455 WeakPolarHBondContact O-CB 3.37Å; P452-Q455 WeakPolarHBondContact O-CG 3.44Å; P452-Q455 PolarHBondContact O-N 3.24Å
453	T	93.5	Very high	96.2	Very high	123 Å²	123	39.7 Å²	39.7	76%	0.755	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-70.1	-15.2	179.4	54.1	0	0	0	0	114.2	H451	H451-T453 PolarHBondContact O-N 3.11Å; H451-T453 VanDerWaalsContact O-N 3.14Å
454	L	96.3	Very high	96.3	Very high	16 Å²	16	43.8 Å²	43.8	8%	0.084	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-98.5	-9.5	178.1	-60.2	-176.4	0	0	0	113	V414 I417 V447 H451 P452 Q456 Q457 I458	V414-L454 HydrophobicContact CG2-CD1 4.18Å; V414-L454 HydrophobicContact CG2-CD2 3.66Å; I417-L454 HydrophobicContact CD1-CB 3.87Å; I417-L454 HydrophobicContact CD1-CD1 3.98Å; I417-L454 HydrophobicContact CD1-CG 4.38Å; V447-L454 HydrophobicContact CG1-CD1 3.99Å; H451-L454 HydrophobicContact CB-CB 3.98Å; H451-L454 HydrophobicContact CB-CD1 3.72Å; H451-L454 HydrophobicContact CB-CG 3.71Å; H451-L454 PolarHBondContact O-N 3.42Å; P452-L454 PolarHBondContact O-N 2.97Å; L454-Q456 VanDerWaalsContact C-N 3.26Å; L454-Q456 PolarHBondContact O-N 2.94Å; L454-Q457 WeakPolarHBondContact O-CB 3.41Å; L454-Q457 PolarHBondContact O-N 3.47Å; L454-I458 WeakPolarHBondContact O-CG1 3.31Å; L454-I458 PolarHBondContact O-N 3.22Å; L454-I458 VanDerWaalsContact O-N 3.07Å
455	Q	96.7	Very high	96.2	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.065	23%	0.228	C	C	.	.	H	α-helix	trans	-56.5	-38.8	-178.5	-68.3	175.5	-7.7	0	0	112.6	A448 P452 Q457 I458 L459 L492 R495 C497	A448-Q455 HydrophobicContact CB-CG 4.21Å; A448-Q455 PolarHBondContact O-NE2 3.14Å; P452-Q455 WeakPolarHBondContact O-CB 3.37Å; P452-Q455 WeakPolarHBondContact O-CG 3.44Å; P452-Q455 PolarHBondContact O-N 3.24Å; Q455-Q457 VanDerWaalsContact C-N 3.34Å; Q455-Q457 PolarHBondContact O-N 3.18Å; Q455-I458 PolarHBondContact O-N 2.96Å; Q455-L459 WeakPolarHBondContact O-CB 3.49Å; Q455-L459 PolarHBondContact O-N 2.89Å; Q455-L492 HydrophobicContact CB-CD2 4.18Å; Q455-L492 HydrophobicContact CG-CD2 4.22Å; Q455-R495 PolarHBondContact NE2-O 3.32Å; Q455-C497 HydrophobicContact CB-CB 4.09Å
456	Q	93.2	Very high	96.1	Very high	144 Å²	144	42.8 Å²	42.8	67%	0.673	22%	0.223	S	C	*	.	H	α-helix	trans	-67	-35.2	178.1	-169.5	175.2	10.9	0	0	112.6	L454 L459 F460	L454-Q456 VanDerWaalsContact C-N 3.26Å; L454-Q456 PolarHBondContact O-N 2.94Å; Q456-L459 PolarHBondContact O-N 2.91Å; Q456-F460 PolarHBondContact O-N 3.43Å
457	Q	94.7	Very high	96	Very high	64 Å²	64	44.8 Å²	44.8	30%	0.299	23%	0.232	S	C	.	.	H	α-helix	trans	-68.4	-38.9	175.5	-171.4	-178.8	-1	0	0	111	I417 L454 Q455 F460 L461	I417-Q457 HydrophobicContact CG2-CG 4.1Å; L454-Q457 WeakPolarHBondContact O-CB 3.41Å; L454-Q457 PolarHBondContact O-N 3.47Å; Q455-Q457 VanDerWaalsContact C-N 3.34Å; Q455-Q457 PolarHBondContact O-N 3.18Å; Q457-F460 PolarHBondContact O-N 3.07Å; Q457-L461 PolarHBondContact O-N 2.83Å
458	I	98	Very high	95.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-45.3	175.2	-63.1	169.3	0	0	0	110	I417 L444 V447 A448 L454 Q455 F460 L461 L462 L492	I417-I458 HydrophobicContact CD1-CD1 4.09Å; I417-I458 HydrophobicContact CD1-CG1 3.7Å; I417-I458 HydrophobicContact CG1-CD1 4.41Å; I417-I458 HydrophobicContact CG1-CG1 3.97Å; L444-I458 HydrophobicContact CB-CG2 4.19Å; L444-I458 HydrophobicContact CD1-CG2 4.47Å; L444-I458 HydrophobicContact CD2-CG1 4.47Å; V447-I458 HydrophobicContact CB-CD1 4.22Å; V447-I458 HydrophobicContact CG1-CD1 4.1Å; A448-I458 HydrophobicContact CB-CD1 3.66Å; L454-I458 WeakPolarHBondContact O-CG1 3.31Å; L454-I458 PolarHBondContact O-N 3.22Å; L454-I458 VanDerWaalsContact O-N 3.07Å; Q455-I458 PolarHBondContact O-N 2.96Å; I458-F460 VanDerWaalsContact C-N 3.3Å; I458-F460 PolarHBondContact O-N 3.03Å; I458-L461 WeakPolarHBondContact O-CB 3.5Å; I458-L461 PolarHBondContact O-N 3.19Å; I458-L461 VanDerWaalsContact O-N 3.09Å; I458-L462 HydrophobicContact CG2-CD1 4.22Å; I458-L462 HydrophobicContact CG2-CG 4.34Å; I458-L462 WeakPolarHBondContact O-CG 3.43Å; I458-L462 PolarHBondContact O-N 3.26Å; I458-L492 HydrophobicContact CB-CD2 4.49Å; I458-L492 HydrophobicContact CG2-CD1 4.23Å; I458-L492 HydrophobicContact CG2-CD2 4.24Å
459	L	97.4	Very high	95.2	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-56.2	-44.4	175.4	-179.7	57.6	0	0	0	111.6	Q455 Q456 L461 L462 I463 M489 L492 P500 V501	Q455-L459 WeakPolarHBondContact O-CB 3.49Å; Q455-L459 PolarHBondContact O-N 2.89Å; Q456-L459 PolarHBondContact O-N 2.91Å; L459-L461 VanDerWaalsContact C-N 3.3Å; L459-L461 PolarHBondContact O-N 3.11Å; L459-L462 PolarHBondContact O-N 3.21Å; L459-L462 VanDerWaalsContact O-N 3.16Å; L459-I463 HydrophobicContact CD1-CD1 4.1Å; L459-I463 HydrophobicContact CD1-CG1 4.12Å; L459-I463 HydrophobicContact CG-CD1 3.85Å; L459-I463 HydrophobicContact CG-CG1 4.33Å; L459-I463 VanDerWaalsContact O-CG1 3.29Å; L459-I463 WeakPolarHBondContact O-CG1 3.08Å; L459-I463 PolarHBondContact O-N 3.48Å; L459-M489 HydrophobicContact CD1-CE 4.45Å; L459-M489 HydrophobicContact CD1-CG 4.27Å; L459-M489 HydrophobicContact CD1-SD 4.5Å; L459-L492 HydrophobicContact CB-CD1 3.85Å; L459-L492 HydrophobicContact CD1-CD1 4.19Å; L459-P500 HydrophobicContact CD2-CB 3.55Å; L459-V501 HydrophobicContact CD1-CG2 3.92Å; L459-V501 HydrophobicContact CD2-CG2 4.09Å
460	F	95.9	Very high	94.6	Very high	123 Å²	123	53.2 Å²	53.2	54%	0.539	27%	0.265	S	S	.	.	H	α-helix	trans	-59.7	-39.1	177.1	-179.9	-102.3	0	0	0	112.8	Q456 Q457 I458 R464	Q456-F460 PolarHBondContact O-N 3.43Å; Q457-F460 PolarHBondContact O-N 3.07Å; I458-F460 VanDerWaalsContact C-N 3.3Å; I458-F460 PolarHBondContact O-N 3.03Å; F460-R464 HydrophobicContact CE1-CG 4.35Å; F460-R464 HydrophobicContact CZ-CG 4.3Å; F460-R464 WeakPolarHBondContact O-CG 3.36Å; F460-R464 PolarHBondContact O-N 3.45Å; F460-R464 VanDerWaalsContact O-N 3.13Å
461	L	97.4	Very high	94	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-46.4	173.5	175	58.8	0	0	0	111.5	I420 E421 V424 M425 L444 Q457 I458 L459 I463 R464 L465	I420-L461 HydrophobicContact CG2-CD2 4.5Å; E421-L461 HydrophobicContact CB-CD1 3.94Å; E421-L461 HydrophobicContact CB-CD2 3.99Å; E421-L461 HydrophobicContact CG-CD1 3.89Å; V424-L461 HydrophobicContact CG2-CD1 4.38Å; M425-L461 HydrophobicContact CG-CD1 4.37Å; M425-L461 HydrophobicContact SD-CD1 4.44Å; L444-L461 HydrophobicContact CD1-CD2 3.84Å; L444-L461 HydrophobicContact CD2-CD2 4.47Å; Q457-L461 PolarHBondContact O-N 2.83Å; I458-L461 WeakPolarHBondContact O-CB 3.5Å; I458-L461 PolarHBondContact O-N 3.19Å; I458-L461 VanDerWaalsContact O-N 3.09Å; L459-L461 VanDerWaalsContact C-N 3.3Å; L459-L461 PolarHBondContact O-N 3.11Å; L461-I463 VanDerWaalsContact C-N 3.33Å; L461-I463 PolarHBondContact O-N 3.44Å; L461-R464 PolarHBondContact O-N 2.91Å; L461-L465 HydrophobicContact CD1-CD1 4.18Å; L461-L465 HydrophobicContact CD1-CG 4.27Å; L461-L465 HydrophobicContact CG-CD1 4.14Å; L461-L465 WeakPolarHBondContact O-CG 3.41Å; L461-L465 PolarHBondContact O-N 3.5Å
462	L	97.5	Very high	93.5	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-40.5	178.6	-64.9	177.9	0	0	0	112	I458 L459 L465 F466 I485 R488 M489 L492	I458-L462 HydrophobicContact CG2-CD1 4.22Å; I458-L462 HydrophobicContact CG2-CG 4.34Å; I458-L462 WeakPolarHBondContact O-CG 3.43Å; I458-L462 PolarHBondContact O-N 3.26Å; L459-L462 PolarHBondContact O-N 3.21Å; L459-L462 VanDerWaalsContact O-N 3.16Å; L462-L465 PolarHBondContact O-N 3.05Å; L462-F466 WeakPolarHBondContact O-CB 3.43Å; L462-F466 PolarHBondContact O-N 3.41Å; L462-I485 HydrophobicContact CB-CG2 4.15Å; L462-I485 HydrophobicContact CD2-CG2 4.35Å; L462-R488 HydrophobicContact CD1-CB 3.71Å; L462-R488 HydrophobicContact CD2-CB 3.9Å; L462-R488 HydrophobicContact CD2-CG 4.32Å; L462-R488 HydrophobicContact CG-CB 4.49Å; L462-M489 HydrophobicContact CB-CE 3.79Å; L462-M489 HydrophobicContact CB-CG 4.29Å; L462-M489 HydrophobicContact CD1-CG 3.99Å; L462-L492 HydrophobicContact CD1-CD1 3.68Å; L462-L492 HydrophobicContact CD1-CG 4.39Å
463	I	96.1	Very high	93	Very high	27 Å²	27	58.3 Å²	58.3	14%	0.138	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-51	174.5	-71.4	170.2	0	0	0	110.3	L459 L461 L465 F466 E467 M489 Y504	L459-I463 HydrophobicContact CD1-CD1 4.1Å; L459-I463 HydrophobicContact CD1-CG1 4.12Å; L459-I463 HydrophobicContact CG-CD1 3.85Å; L459-I463 HydrophobicContact CG-CG1 4.33Å; L459-I463 VanDerWaalsContact O-CG1 3.29Å; L459-I463 WeakPolarHBondContact O-CG1 3.08Å; L459-I463 PolarHBondContact O-N 3.48Å; L461-I463 VanDerWaalsContact C-N 3.33Å; L461-I463 PolarHBondContact O-N 3.44Å; I463-L465 PolarHBondContact O-N 2.79Å; I463-F466 WeakPolarHBondContact O-CB 3.41Å; I463-F466 PolarHBondContact O-N 2.89Å; I463-E467 HydrophobicContact CG2-CG 4.29Å; I463-E467 WeakPolarHBondContact O-CG 3.38Å; I463-E467 PolarHBondContact O-N 3.36Å; I463-M489 HydrophobicContact CG1-CE 4.04Å; I463-Y504 HydrophobicContact CB-CE2 4.14Å; I463-Y504 HydrophobicContact CD1-CD1 4.2Å; I463-Y504 HydrophobicContact CD1-CD2 3.58Å; I463-Y504 HydrophobicContact CD1-CE2 4.03Å; I463-Y504 HydrophobicContact CD1-CG 3.66Å; I463-Y504 HydrophobicContact CG1-CD1 3.83Å; I463-Y504 HydrophobicContact CG1-CD2 3.75Å; I463-Y504 HydrophobicContact CG1-CE1 3.82Å; I463-Y504 HydrophobicContact CG1-CE2 3.73Å; I463-Y504 HydrophobicContact CG1-CG 3.79Å; I463-Y504 HydrophobicContact CG2-CD2 4.09Å; I463-Y504 HydrophobicContact CG2-CE2 3.43Å; I463-Y504 VanDerWaalsContact CG2-CE2 3.43Å
464	R	95.6	Very high	92.8	Very high	86 Å²	86	59.6 Å²	59.6	33%	0.325	28%	0.279	S	S	.	.	H	α-helix	trans	-59.3	-36	178.8	-76.5	176.3	60	-158.1	-2.3	113.1	E421 F460 L461 S468	E421-R464 IonicContact OE1-CZ 3.35Å; E421-R464 IonicContact OE1-NH1 3.86Å; E421-R464 PolarHBondContact OE1-NH1 3.29Å; E421-R464 IonicContact OE1-NH2 2.69Å; F460-R464 HydrophobicContact CE1-CG 4.35Å; F460-R464 HydrophobicContact CZ-CG 4.3Å; F460-R464 WeakPolarHBondContact O-CG 3.36Å; F460-R464 PolarHBondContact O-N 3.45Å; F460-R464 VanDerWaalsContact O-N 3.13Å; L461-R464 PolarHBondContact O-N 2.91Å; R464-S468 WeakPolarHBondContact O-CB 3.41Å; R464-S468 PolarHBondContact O-N 3.18Å
465	L	94.5	Very high	92.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-70.6	-42	174.6	-70	169.5	0	0	0	111.6	V424 M425 F430 L461 L462 I463 S468 I485	V424-L465 HydrophobicContact CB-CD1 4.5Å; V424-L465 HydrophobicContact CG2-CD1 3.74Å; V424-L465 HydrophobicContact CG2-CD2 4.01Å; V424-L465 HydrophobicContact CG2-CG 4.4Å; M425-L465 HydrophobicContact CG-CD2 4.44Å; M425-L465 HydrophobicContact SD-CD2 3.57Å; M425-L465 VanDerWaalsContact SD-CD2 3.57Å; M425-L465 HydrophobicContact SD-CG 4.2Å; F430-L465 HydrophobicContact CE2-CD2 4.02Å; F430-L465 HydrophobicContact CZ-CD2 4.31Å; L461-L465 HydrophobicContact CD1-CD1 4.18Å; L461-L465 HydrophobicContact CD1-CG 4.27Å; L461-L465 HydrophobicContact CG-CD1 4.14Å; L461-L465 WeakPolarHBondContact O-CG 3.41Å; L461-L465 PolarHBondContact O-N 3.5Å; L462-L465 PolarHBondContact O-N 3.05Å; I463-L465 PolarHBondContact O-N 2.79Å; L465-S468 WeakPolarHBondContact O-CB 3.28Å; L465-S468 PolarHBondContact O-N 3.38Å; L465-S468 PolarHBondContact O-OG 2.96Å; L465-I485 HydrophobicContact CB-CD1 3.81Å
466	F	94.7	Very high	92.1	Very high	4 Å²	4	70.2 Å²	70.2	2%	0.018	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-40.4	179	-172.1	-93	0	0	0	112.7	L462 I463 S468 K482 I485 L486 M489 Y504 T514 L518	L462-F466 WeakPolarHBondContact O-CB 3.43Å; L462-F466 PolarHBondContact O-N 3.41Å; I463-F466 WeakPolarHBondContact O-CB 3.41Å; I463-F466 PolarHBondContact O-N 2.89Å; F466-S468 VanDerWaalsContact C-N 3.3Å; F466-K482 HydrophobicContact CD2-CB 4.14Å; F466-K482 HydrophobicContact CD2-CG 4.09Å; F466-K482 HydrophobicContact CE2-CB 3.83Å; F466-K482 HydrophobicContact CE2-CD 4.23Å; F466-K482 HydrophobicContact CE2-CG 4.06Å; F466-K482 HydrophobicContact CZ-CD 4.46Å; F466-K482 VanDerWaalsContact O-CE 3.32Å; F466-K482 WeakPolarHBondContact O-CE 3.44Å; F466-I485 HydrophobicContact CB-CG2 4.03Å; F466-I485 HydrophobicContact CD2-CB 4.46Å; F466-I485 HydrophobicContact CD2-CG2 4.21Å; F466-L486 HydrophobicContact CD2-CD2 4.34Å; F466-L486 HydrophobicContact CD2-CG 4.32Å; F466-L486 HydrophobicContact CE2-CD1 3.99Å; F466-L486 HydrophobicContact CE2-CD2 3.81Å; F466-L486 HydrophobicContact CE2-CG 3.73Å; F466-L486 HydrophobicContact CZ-CD2 4.3Å; F466-M489 HydrophobicContact CB-CE 4.21Å; F466-Y504 HydrophobicContact CD1-CE1 4.38Å; F466-Y504 VanDerWaalsContact CD1-OH 3.22Å; F466-Y504 WeakPolarHBondContact CD1-OH 3.48Å; F466-T514 HydrophobicContact CE1-CG2 3.98Å; F466-T514 HydrophobicContact CZ-CG2 3.97Å; F466-L518 HydrophobicContact CE2-CD1 4.39Å; F466-L518 HydrophobicContact CZ-CD1 4.13Å
467	E	93.5	Very high	91.9	Very high	122 Å²	122	65.9 Å²	65.9	57%	0.57	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-8.9	177.5	-65.1	179.5	166.3	0	0	113.1	I463 K469 Y504	I463-E467 HydrophobicContact CG2-CG 4.29Å; I463-E467 WeakPolarHBondContact O-CG 3.38Å; I463-E467 PolarHBondContact O-N 3.36Å; E467-K469 PolarHBondContact O-N 3.29Å; E467-Y504 WeakPolarHBondContact CG-OH 3.37Å
468	S	91.4	Very high	91.6	Very high	22 Å²	22	64.9 Å²	64.9	15%	0.154	31%	0.313	C	S	.	.			trans	-68.6	134.6	178.3	74	0	0	0	0	111.1	R464 L465 F466 Q470	R464-S468 WeakPolarHBondContact O-CB 3.41Å; R464-S468 PolarHBondContact O-N 3.18Å; L465-S468 WeakPolarHBondContact O-CB 3.28Å; L465-S468 PolarHBondContact O-N 3.38Å; L465-S468 PolarHBondContact O-OG 2.96Å; F466-S468 VanDerWaalsContact C-N 3.3Å; S468-Q470 PolarHBondContact O-N 3.34Å; S468-Q470 WeakPolarHBondContact OG-CG 3.43Å; S468-Q470 PolarHBondContact OG-NE2 3.12Å
469	K	85.9	Confident	91.3	Very high	161 Å²	161	67 Å²	67	70%	0.7	32%	0.324	S	S	*	.			trans	-67.3	-35.6	-174	-66.3	-172.1	175	-173.1	0	113.9	E467 D471	E467-K469 PolarHBondContact O-N 3.29Å; K469-D471 PolarHBondContact O-N 3.29Å; K469-D471 VanDerWaalsContact O-N 3.16Å
470	Q	84.8	Confident	91	Very high	31 Å²	31	72 Å²	72	15%	0.145	35%	0.347	C	S	.	.			trans	45.1	44.6	-178.8	-57.3	-63.9	-26.1	0	0	113.5	S468 E472 L473 Q478 M481	S468-Q470 PolarHBondContact O-N 3.34Å; S468-Q470 WeakPolarHBondContact OG-CG 3.43Å; S468-Q470 PolarHBondContact OG-NE2 3.12Å; Q470-E472 PolarHBondContact O-N 2.99Å; Q470-L473 HydrophobicContact CB-CD1 3.8Å; Q470-L473 HydrophobicContact CB-CG 4.19Å; Q470-L473 HydrophobicContact CG-CD1 4.26Å; Q470-L473 PolarHBondContact O-N 2.96Å; Q470-Q478 PolarHBondContact O-NE2 3.18Å; Q470-M481 HydrophobicContact CG-CE 3.8Å; Q470-M481 HydrophobicContact CG-SD 4.01Å
471	D	84.4	Confident	90.7	Very high	131 Å²	131	66.6 Å²	66.6	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-17.9	-172.5	-64.1	-44.4	0	0	0	114.3	K469	K469-D471 PolarHBondContact O-N 3.29Å; K469-D471 VanDerWaalsContact O-N 3.16Å
472	E	85.4	Confident	90.6	Very high	126 Å²	126	68.9 Å²	68.9	59%	0.589	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-7.1	-179.1	-51.5	-175.7	113.9	0	0	113.8	K431 Q470	K431-E472 WeakPolarHBondContact CE-OE2 3.17Å; K431-E472 IonicContact NZ-OE1 3.88Å; K431-E472 PolarHBondContact NZ-OE1 3.2Å; K431-E472 IonicContact NZ-OE2 2.86Å; K431-E472 PolarHBondContact NZ-OE2 3.49Å; Q470-E472 PolarHBondContact O-N 2.99Å
473	L	86.8	Confident	90.4	Very high	17 Å²	17	72.2 Å²	72.2	9%	0.089	35%	0.348	C	S	.	.	S	Bend	trans	-92.9	145.7	174.6	-62.6	178.9	0	0	0	110.5	F430 K431 Q470 V477 Q478 M481	F430-L473 HydrophobicContact CB-CD1 3.9Å; K431-L473 HydrophobicContact CB-CD2 4.45Å; K431-L473 HydrophobicContact CG-CD2 3.67Å; Q470-L473 HydrophobicContact CB-CD1 3.8Å; Q470-L473 HydrophobicContact CB-CG 4.19Å; Q470-L473 HydrophobicContact CG-CD1 4.26Å; Q470-L473 PolarHBondContact O-N 2.96Å; L473-V477 HydrophobicContact CB-CB 4.48Å; L473-V477 HydrophobicContact CB-CG1 4.45Å; L473-V477 HydrophobicContact CD1-CG1 4.33Å; L473-V477 HydrophobicContact CD2-CG1 4.23Å; L473-Q478 HydrophobicContact CB-CG 3.68Å; L473-Q478 PolarHBondContact O-NE2 3.28Å; L473-M481 HydrophobicContact CD1-SD 4.11Å
474	E	89.1	Confident	90.3	Very high	150 Å²	150	71.8 Å²	71.8	70%	0.701	35%	0.345	S	S	*	.			trans	-62	148	170	-63.1	-177	179.3	0	0	110.9	L476 V477 Q478	E474-L476 PolarHBondContact O-N 3.46Å; E474-L476 VanDerWaalsContact O-N 3.15Å; E474-V477 HydrophobicContact CB-CG2 4.2Å; E474-V477 WeakPolarHBondContact O-CA 3.39Å; E474-V477 WeakPolarHBondContact O-CB 3.44Å; E474-V477 PolarHBondContact O-N 2.86Å; E474-Q478 PolarHBondContact O-N 3.4Å
475	I	89.5	Confident	90.3	Very high	146 Å²	146	67.7 Å²	67.7	75%	0.749	33%	0.33	S	S	*	.	H	α-helix	trans	-53.4	-40.9	-175.8	-62.7	170.6	0	0	0	112.1	Q478 L479	I475-Q478 PolarHBondContact O-N 3.46Å; I475-L479 PolarHBondContact O-N 3.42Å
476	L	88.3	Confident	90.4	Very high	108 Å²	108	67.8 Å²	67.8	57%	0.565	33%	0.33	S	S	*	.	H	α-helix	trans	-63.5	-42.9	178.1	-178.9	62	0	0	0	111.8	E474 L479 E480	E474-L476 PolarHBondContact O-N 3.46Å; E474-L476 VanDerWaalsContact O-N 3.15Å; L476-L479 WeakPolarHBondContact O-CB 3.35Å; L476-L479 PolarHBondContact O-N 3.07Å; L476-E480 WeakPolarHBondContact O-CG 3.44Å; L476-E480 PolarHBondContact O-N 3.05Å
477	V	88.7	Confident	90.5	Very high	52 Å²	52	69.5 Å²	69.5	32%	0.315	34%	0.34	S	S	.	.	H	α-helix	trans	-67.1	-38.2	178.3	-178.4	0	0	0	0	110.7	L473 E474 L479 E480 M481	L473-V477 HydrophobicContact CB-CB 4.48Å; L473-V477 HydrophobicContact CB-CG1 4.45Å; L473-V477 HydrophobicContact CD1-CG1 4.33Å; L473-V477 HydrophobicContact CD2-CG1 4.23Å; E474-V477 HydrophobicContact CB-CG2 4.2Å; E474-V477 WeakPolarHBondContact O-CA 3.39Å; E474-V477 WeakPolarHBondContact O-CB 3.44Å; E474-V477 PolarHBondContact O-N 2.86Å; V477-L479 VanDerWaalsContact C-N 3.31Å; V477-L479 PolarHBondContact O-N 3.03Å; V477-E480 PolarHBondContact O-N 2.84Å; V477-M481 VanDerWaalsContact O-CB 3.28Å; V477-M481 WeakPolarHBondContact O-CB 3.44Å; V477-M481 PolarHBondContact O-N 2.9Å
478	Q	89.8	Confident	90.7	Very high	43 Å²	43	65.4 Å²	65.4	20%	0.201	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-42.3	172.8	-65.2	-178.3	22.7	0	0	111.5	Q470 L473 E474 I475 M481 K482	Q470-Q478 PolarHBondContact O-NE2 3.18Å; L473-Q478 HydrophobicContact CB-CG 3.68Å; L473-Q478 PolarHBondContact O-NE2 3.28Å; E474-Q478 PolarHBondContact O-N 3.4Å; I475-Q478 PolarHBondContact O-N 3.46Å; Q478-M481 PolarHBondContact O-N 2.92Å; Q478-K482 WeakPolarHBondContact O-CB 3.42Å; Q478-K482 WeakPolarHBondContact O-CG 3.38Å; Q478-K482 PolarHBondContact O-N 3.35Å
479	L	90.8	Very high	91	Very high	45 Å²	45	64.3 Å²	64.3	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-65.7	-44.8	178.8	-169	75.1	0	0	0	111.6	I475 L476 V477 K482 K483 L518	I475-L479 PolarHBondContact O-N 3.42Å; L476-L479 WeakPolarHBondContact O-CB 3.35Å; L476-L479 PolarHBondContact O-N 3.07Å; V477-L479 VanDerWaalsContact C-N 3.31Å; V477-L479 PolarHBondContact O-N 3.03Å; L479-K482 PolarHBondContact O-N 3.27Å; L479-K483 WeakPolarHBondContact O-CG 3.43Å; L479-K483 PolarHBondContact O-N 3.45Å; L479-L518 HydrophobicContact CD1-CD1 4.18Å; L479-L518 HydrophobicContact CD1-CD2 3.67Å; L479-L518 HydrophobicContact CD1-CG 3.79Å; L479-L518 HydrophobicContact CG-CD2 4.37Å
480	E	90.6	Very high	91.5	Very high	115 Å²	115	57.2 Å²	57.2	54%	0.537	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-43.2	175.6	-72.2	179.6	171.8	0	0	111.9	L476 V477 K482 K483 M484	L476-E480 WeakPolarHBondContact O-CG 3.44Å; L476-E480 PolarHBondContact O-N 3.05Å; V477-E480 PolarHBondContact O-N 2.84Å; E480-K482 VanDerWaalsContact C-N 3.34Å; E480-K482 PolarHBondContact O-N 2.66Å; E480-K483 PolarHBondContact O-N 3.17Å; E480-M484 WeakPolarHBondContact O-CB 3.33Å; E480-M484 PolarHBondContact O-N 3.09Å
481	M	91.1	Very high	92.1	Very high	9 Å²	9	57 Å²	57	4%	0.044	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-45.2	174.3	-175.1	-161.6	73.4	0	0	111.3	F430 Q470 L473 V477 Q478 M484 I485	F430-M481 HydrophobicContact CB-SD 4.22Å; F430-M481 HydrophobicContact CD1-CG 3.82Å; F430-M481 HydrophobicContact CD1-SD 3.92Å; F430-M481 HydrophobicContact CD2-SD 3.65Å; F430-M481 HydrophobicContact CE1-CG 3.94Å; F430-M481 HydrophobicContact CE1-SD 4.18Å; F430-M481 HydrophobicContact CE2-SD 3.93Å; F430-M481 HydrophobicContact CG-CG 4.17Å; F430-M481 HydrophobicContact CG-SD 3.65Å; F430-M481 HydrophobicContact CZ-CG 4.38Å; F430-M481 HydrophobicContact CZ-SD 4.18Å; Q470-M481 HydrophobicContact CG-CE 3.8Å; Q470-M481 HydrophobicContact CG-SD 4.01Å; L473-M481 HydrophobicContact CD1-SD 4.11Å; V477-M481 VanDerWaalsContact O-CB 3.28Å; V477-M481 WeakPolarHBondContact O-CB 3.44Å; V477-M481 PolarHBondContact O-N 2.9Å; Q478-M481 PolarHBondContact O-N 2.92Å; M481-M484 HydrophobicContact CG-CE 3.98Å; M481-M484 WeakPolarHBondContact O-CB 3.46Å; M481-M484 PolarHBondContact O-N 3.11Å; M481-I485 HydrophobicContact CE-CD1 4.06Å; M481-I485 HydrophobicContact CG-CD1 4.1Å; M481-I485 VanDerWaalsContact O-CG1 3.31Å; M481-I485 WeakPolarHBondContact O-CG1 3.4Å; M481-I485 PolarHBondContact O-N 3.25Å
482	K	93.7	Very high	92.7	Very high	50 Å²	50	50.8 Å²	50.8	22%	0.217	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-40.9	178.2	-76.8	-174.7	-179.9	-169.6	0	112.1	F466 Q478 L479 E480 I485 L486 L518	F466-K482 HydrophobicContact CD2-CB 4.14Å; F466-K482 HydrophobicContact CD2-CG 4.09Å; F466-K482 HydrophobicContact CE2-CB 3.83Å; F466-K482 HydrophobicContact CE2-CD 4.23Å; F466-K482 HydrophobicContact CE2-CG 4.06Å; F466-K482 HydrophobicContact CZ-CD 4.46Å; F466-K482 VanDerWaalsContact O-CE 3.32Å; F466-K482 WeakPolarHBondContact O-CE 3.44Å; Q478-K482 WeakPolarHBondContact O-CB 3.42Å; Q478-K482 WeakPolarHBondContact O-CG 3.38Å; Q478-K482 PolarHBondContact O-N 3.35Å; L479-K482 PolarHBondContact O-N 3.27Å; E480-K482 VanDerWaalsContact C-N 3.34Å; E480-K482 PolarHBondContact O-N 2.66Å; K482-I485 PolarHBondContact O-N 2.99Å; K482-L486 WeakPolarHBondContact O-CG 3.39Å; K482-L486 PolarHBondContact O-N 3.19Å; K482-L518 HydrophobicContact CB-CD1 3.91Å; K482-L518 HydrophobicContact CB-CD2 3.86Å; K482-L518 HydrophobicContact CD-CD1 3.58Å; K482-L518 HydrophobicContact CG-CD1 4.38Å
483	K	94.6	Very high	93.2	Very high	71 Å²	71	45.2 Å²	45.2	31%	0.309	22%	0.223	S	C	.	.	H	α-helix	trans	-59.7	-47.3	172.5	-73.6	180	178.1	-178.8	0	111.8	L479 E480 I485 L486 D487 L518 Y521	L479-K483 WeakPolarHBondContact O-CG 3.43Å; L479-K483 PolarHBondContact O-N 3.45Å; E480-K483 PolarHBondContact O-N 3.17Å; K483-I485 VanDerWaalsContact C-N 3.27Å; K483-I485 PolarHBondContact O-N 3.21Å; K483-L486 CarbonylContact O-C 3.43Å; K483-L486 WeakPolarHBondContact O-CA 3.28Å; K483-L486 WeakPolarHBondContact O-CB 3.49Å; K483-L486 PolarHBondContact O-N 2.85Å; K483-D487 PolarHBondContact O-N 3.44Å; K483-L518 HydrophobicContact CG-CD2 3.83Å; K483-Y521 HydrophobicContact CB-CD1 4.19Å; K483-Y521 HydrophobicContact CB-CE1 3.82Å; K483-Y521 HydrophobicContact CD-CD2 4.13Å; K483-Y521 HydrophobicContact CD-CE2 4.16Å; K483-Y521 HydrophobicContact CD-CG 4.32Å; K483-Y521 HydrophobicContact CG-CD1 3.9Å; K483-Y521 HydrophobicContact CG-CD2 4.34Å; K483-Y521 HydrophobicContact CG-CE1 4.01Å; K483-Y521 HydrophobicContact CG-CE2 4.43Å; K483-Y521 HydrophobicContact CG-CG 4.07Å
484	M	94	Very high	93.6	Very high	18 Å²	18	47.6 Å²	47.6	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-38.2	176	173.2	-169.4	69.1	0	0	112.3	F430 P438 L441 E480 M481 D487 R488	F430-M484 HydrophobicContact CD1-CE 4.18Å; F430-M484 HydrophobicContact CE1-CE 3.65Å; P438-M484 WeakPolarHBondContact CD-SD 3.49Å; P438-M484 HydrophobicContact CG-CE 4.23Å; P438-M484 HydrophobicContact CG-SD 3.85Å; L441-M484 HydrophobicContact CD1-CE 3.77Å; L441-M484 HydrophobicContact CD1-SD 4.18Å; E480-M484 WeakPolarHBondContact O-CB 3.33Å; E480-M484 PolarHBondContact O-N 3.09Å; M481-M484 HydrophobicContact CG-CE 3.98Å; M481-M484 WeakPolarHBondContact O-CB 3.46Å; M481-M484 PolarHBondContact O-N 3.11Å; M484-D487 PolarHBondContact O-N 3.11Å; M484-R488 WeakPolarHBondContact O-CG 3.4Å; M484-R488 PolarHBondContact O-N 3.38Å; M484-R488 PolarHBondContact O-NH1 3.01Å
485	I	95.7	Very high	93.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-40.7	174.7	-67.7	162.4	0	0	0	110.9	L462 L465 F466 M481 K482 K483 D487 R488 M489	L462-I485 HydrophobicContact CB-CG2 4.15Å; L462-I485 HydrophobicContact CD2-CG2 4.35Å; L465-I485 HydrophobicContact CB-CD1 3.81Å; F466-I485 HydrophobicContact CB-CG2 4.03Å; F466-I485 HydrophobicContact CD2-CB 4.46Å; F466-I485 HydrophobicContact CD2-CG2 4.21Å; M481-I485 HydrophobicContact CE-CD1 4.06Å; M481-I485 HydrophobicContact CG-CD1 4.1Å; M481-I485 VanDerWaalsContact O-CG1 3.31Å; M481-I485 WeakPolarHBondContact O-CG1 3.4Å; M481-I485 PolarHBondContact O-N 3.25Å; K482-I485 PolarHBondContact O-N 2.99Å; K483-I485 VanDerWaalsContact C-N 3.27Å; K483-I485 PolarHBondContact O-N 3.21Å; I485-D487 VanDerWaalsContact C-N 3.3Å; I485-D487 PolarHBondContact O-N 3.03Å; I485-R488 WeakPolarHBondContact O-CB 3.5Å; I485-R488 PolarHBondContact O-N 3.37Å; I485-R488 VanDerWaalsContact O-N 3.11Å; I485-M489 HydrophobicContact CG2-CE 4.03Å; I485-M489 PolarHBondContact O-N 2.74Å; I485-M489 VanDerWaalsContact O-N 3.07Å
486	L	96.7	Very high	94	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-38.9	174.4	-70	170.3	0	0	0	111.5	F466 K482 K483 R488 M489 V490 I505 L518 Y521 F522	F466-L486 HydrophobicContact CD2-CD2 4.34Å; F466-L486 HydrophobicContact CD2-CG 4.32Å; F466-L486 HydrophobicContact CE2-CD1 3.99Å; F466-L486 HydrophobicContact CE2-CD2 3.81Å; F466-L486 HydrophobicContact CE2-CG 3.73Å; F466-L486 HydrophobicContact CZ-CD2 4.3Å; K482-L486 WeakPolarHBondContact O-CG 3.39Å; K482-L486 PolarHBondContact O-N 3.19Å; K483-L486 CarbonylContact O-C 3.43Å; K483-L486 WeakPolarHBondContact O-CA 3.28Å; K483-L486 WeakPolarHBondContact O-CB 3.49Å; K483-L486 PolarHBondContact O-N 2.85Å; L486-R488 PolarHBondContact O-N 3.11Å; L486-M489 HydrophobicContact CD2-SD 4.11Å; L486-M489 CarbonylContact O-C 3.58Å; L486-M489 WeakPolarHBondContact O-CA 3.28Å; L486-M489 WeakPolarHBondContact O-CB 3.44Å; L486-M489 PolarHBondContact O-N 3.42Å; L486-V490 WeakPolarHBondContact O-CG2 3.39Å; L486-V490 PolarHBondContact O-N 3.12Å; L486-I505 HydrophobicContact CD2-CD1 3.75Å; L486-L518 HydrophobicContact CD1-CB 4.04Å; L486-L518 HydrophobicContact CD1-CD2 4.15Å; L486-L518 WeakPolarHBondContact CD1-O 3.22Å; L486-Y521 HydrophobicContact CB-CD1 4.4Å; L486-Y521 HydrophobicContact CB-CE1 4.41Å; L486-Y521 HydrophobicContact CD1-CD1 4.14Å; L486-F522 HydrophobicContact CB-CD2 4.43Å; L486-F522 HydrophobicContact CD1-CB 4.28Å; L486-F522 HydrophobicContact CD2-CB 4.3Å; L486-F522 HydrophobicContact CD2-CD2 4.01Å; L486-F522 HydrophobicContact CD2-CG 4.45Å
487	D	96.5	Very high	94.3	Very high	41 Å²	41	37.6 Å²	37.6	22%	0.219	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-37.1	174.8	-59.4	-24.8	0	0	0	112	K483 M484 I485 M489 V490 N491 Y521	K483-D487 PolarHBondContact O-N 3.44Å; M484-D487 PolarHBondContact O-N 3.11Å; I485-D487 VanDerWaalsContact C-N 3.3Å; I485-D487 PolarHBondContact O-N 3.03Å; D487-M489 VanDerWaalsContact C-N 3.35Å; D487-V490 PolarHBondContact O-N 2.86Å; D487-N491 PolarHBondContact O-N 3.28Å; D487-Y521 VanDerWaalsContact OD1-CE1 3.27Å; D487-Y521 WeakPolarHBondContact OD1-CE1 3.35Å; D487-Y521 PolarHBondContact OD1-OH 2.71Å
488	R	96.8	Very high	94.6	Very high	35 Å²	35	36.9 Å²	36.9	13%	0.132	19%	0.191	C	C	.	.	H	α-helix	trans	-68.5	-36.1	174.7	-53.6	-65.1	79.6	70.9	-2.6	111.1	L441 D445 L462 M484 I485 L486 N491 L492	L441-R488 HydrophobicContact CB-CG 4.49Å; D445-R488 IonicContact OD1-NE 2.69Å; D445-R488 WeakPolarHBondContact OD2-CD 3.38Å; D445-R488 IonicContact OD2-CZ 3.28Å; D445-R488 IonicContact OD2-NE 2.94Å; D445-R488 PolarHBondContact OD2-NE 3.32Å; L462-R488 HydrophobicContact CD1-CB 3.71Å; L462-R488 HydrophobicContact CD2-CB 3.9Å; L462-R488 HydrophobicContact CD2-CG 4.32Å; L462-R488 HydrophobicContact CG-CB 4.49Å; M484-R488 WeakPolarHBondContact O-CG 3.4Å; M484-R488 PolarHBondContact O-N 3.38Å; M484-R488 PolarHBondContact O-NH1 3.01Å; I485-R488 WeakPolarHBondContact O-CB 3.5Å; I485-R488 PolarHBondContact O-N 3.37Å; I485-R488 VanDerWaalsContact O-N 3.11Å; L486-R488 PolarHBondContact O-N 3.11Å; R488-N491 PolarHBondContact O-N 3.43Å; R488-L492 PolarHBondContact O-N 2.96Å
489	M	97.9	Very high	94.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-37.8	172.8	-64.4	-176.4	179.8	0	0	111.9	L459 L462 I463 F466 I485 L486 D487 L492 L493 V501 Y504 I505 F522	L459-M489 HydrophobicContact CD1-CE 4.45Å; L459-M489 HydrophobicContact CD1-CG 4.27Å; L459-M489 HydrophobicContact CD1-SD 4.5Å; L462-M489 HydrophobicContact CB-CE 3.79Å; L462-M489 HydrophobicContact CB-CG 4.29Å; L462-M489 HydrophobicContact CD1-CG 3.99Å; I463-M489 HydrophobicContact CG1-CE 4.04Å; F466-M489 HydrophobicContact CB-CE 4.21Å; I485-M489 HydrophobicContact CG2-CE 4.03Å; I485-M489 PolarHBondContact O-N 2.74Å; I485-M489 VanDerWaalsContact O-N 3.07Å; L486-M489 HydrophobicContact CD2-SD 4.11Å; L486-M489 CarbonylContact O-C 3.58Å; L486-M489 WeakPolarHBondContact O-CA 3.28Å; L486-M489 WeakPolarHBondContact O-CB 3.44Å; L486-M489 PolarHBondContact O-N 3.42Å; D487-M489 VanDerWaalsContact C-N 3.35Å; M489-L492 WeakPolarHBondContact O-CB 3.47Å; M489-L492 PolarHBondContact O-N 2.96Å; M489-L493 PolarHBondContact O-N 3.44Å; M489-V501 HydrophobicContact CB-CG1 4.07Å; M489-Y504 HydrophobicContact CE-CD1 4.18Å; M489-Y504 HydrophobicContact CE-CE1 3.79Å; M489-Y504 HydrophobicContact SD-CD1 4.17Å; M489-Y504 HydrophobicContact SD-CE1 4.16Å; M489-I505 HydrophobicContact SD-CD1 4.2Å; M489-F522 HydrophobicContact CB-CE2 4.45Å
490	V	97.4	Very high	94.8	Very high	11 Å²	11	36.4 Å²	36.4	7%	0.067	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-44.2	171.8	175.5	0	0	0	0	109.9	L486 D487 L492 L493 T494 F522 E525 V526	L486-V490 WeakPolarHBondContact O-CG2 3.39Å; L486-V490 PolarHBondContact O-N 3.12Å; D487-V490 PolarHBondContact O-N 2.86Å; V490-L492 VanDerWaalsContact C-N 3.34Å; V490-L492 PolarHBondContact O-N 3.33Å; V490-L493 WeakPolarHBondContact O-CA 3.45Å; V490-L493 VanDerWaalsContact O-CB 3.3Å; V490-L493 WeakPolarHBondContact O-CB 3.42Å; V490-L493 PolarHBondContact O-N 3.26Å; V490-T494 WeakPolarHBondContact O-CG2 3.43Å; V490-T494 PolarHBondContact O-N 3.04Å; V490-F522 HydrophobicContact CG2-CD2 3.78Å; V490-F522 HydrophobicContact CG2-CE2 3.72Å; V490-E525 HydrophobicContact CG2-CB 4.05Å; V490-V526 HydrophobicContact CG2-CG2 4.06Å
491	N	96.6	Very high	95.1	Very high	27 Å²	27	31 Å²	31	14%	0.144	17%	0.168	C	C	.	.	H	α-helix	trans	-56.5	-47.1	172.9	177.6	57.4	0	0	0	111.2	D445 D487 R488 L493 T494 R495	D445-N491 VanDerWaalsContact CB-ND2 3.27Å; D445-N491 WeakPolarHBondContact CB-ND2 3.46Å; D445-N491 PolarHBondContact OD1-ND2 3.42Å; D487-N491 PolarHBondContact O-N 3.28Å; R488-N491 PolarHBondContact O-N 3.43Å; N491-L493 VanDerWaalsContact C-N 3.28Å; N491-L493 PolarHBondContact O-N 3.06Å; N491-T494 PolarHBondContact O-N 3.45Å; N491-T494 VanDerWaalsContact O-N 3.08Å; N491-T494 PolarHBondContact O-OG1 3.32Å; N491-R495 WeakPolarHBondContact O-CG 2.83Å; N491-R495 PolarHBondContact O-N 2.87Å; N491-R495 VanDerWaalsContact O-N 3.07Å; N491-R495 PolarHBondContact OD1-NE 3.46Å
492	L	97.6	Very high	95.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-55.7	-41.4	174.1	-73.7	-179.1	0	0	0	112.9	A448 Q455 I458 L459 L462 R488 M489 V490 R495 G496 C497 V501	A448-L492 HydrophobicContact CB-CD2 3.52Å; Q455-L492 HydrophobicContact CB-CD2 4.18Å; Q455-L492 HydrophobicContact CG-CD2 4.22Å; I458-L492 HydrophobicContact CB-CD2 4.49Å; I458-L492 HydrophobicContact CG2-CD1 4.23Å; I458-L492 HydrophobicContact CG2-CD2 4.24Å; L459-L492 HydrophobicContact CB-CD1 3.85Å; L459-L492 HydrophobicContact CD1-CD1 4.19Å; L462-L492 HydrophobicContact CD1-CD1 3.68Å; L462-L492 HydrophobicContact CD1-CG 4.39Å; R488-L492 PolarHBondContact O-N 2.96Å; M489-L492 WeakPolarHBondContact O-CB 3.47Å; M489-L492 PolarHBondContact O-N 2.96Å; V490-L492 VanDerWaalsContact C-N 3.34Å; V490-L492 PolarHBondContact O-N 3.33Å; L492-R495 PolarHBondContact O-N 2.95Å; L492-G496 PolarHBondContact O-N 3.02Å; L492-C497 HydrophobicContact CB-CB 4.08Å; L492-C497 VanDerWaalsContact O-CB 3.28Å; L492-C497 WeakPolarHBondContact O-CB 3.43Å; L492-C497 PolarHBondContact O-N 2.93Å; L492-V501 HydrophobicContact CB-CG2 4.12Å
493	L	96.1	Very high	95.3	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.052	17%	0.17	C	C	.	.	H	α-helix	trans	-59.8	-47.2	174.9	-174.1	155.3	0	0	0	110.8	M489 V490 N491 R495 G496 V498 L502 F522 V526 I530	M489-L493 PolarHBondContact O-N 3.44Å; V490-L493 WeakPolarHBondContact O-CA 3.45Å; V490-L493 VanDerWaalsContact O-CB 3.3Å; V490-L493 WeakPolarHBondContact O-CB 3.42Å; V490-L493 PolarHBondContact O-N 3.26Å; N491-L493 VanDerWaalsContact C-N 3.28Å; N491-L493 PolarHBondContact O-N 3.06Å; L493-R495 PolarHBondContact O-N 3.14Å; L493-G496 PolarHBondContact O-N 3.32Å; L493-V498 HydrophobicContact CD1-CG1 4.38Å; L493-V498 HydrophobicContact CD2-CG2 4.38Å; L493-V498 HydrophobicContact CG-CB 4.33Å; L493-V498 HydrophobicContact CG-CG1 4.14Å; L493-V498 HydrophobicContact CG-CG2 4.11Å; L493-V498 WeakPolarHBondContact O-CG2 3.46Å; L493-L502 HydrophobicContact CD1-CD2 4.06Å; L493-L502 HydrophobicContact CD1-CG 4.24Å; L493-F522 HydrophobicContact CD1-CZ 4.36Å; L493-V526 HydrophobicContact CD1-CG1 4.36Å; L493-V526 HydrophobicContact CD1-CG2 4.06Å; L493-I530 HydrophobicContact CD2-CG2 4.37Å
494	T	95.1	Very high	95.2	Very high	67 Å²	67	29.2 Å²	29.2	41%	0.411	16%	0.158	S	C	.	.	H	α-helix	trans	-62.8	-23.9	177	72.8	0	0	0	0	113.7	V490 N491 G496 T529	V490-T494 WeakPolarHBondContact O-CG2 3.43Å; V490-T494 PolarHBondContact O-N 3.04Å; N491-T494 PolarHBondContact O-N 3.45Å; N491-T494 VanDerWaalsContact O-N 3.08Å; N491-T494 PolarHBondContact O-OG1 3.32Å; T494-G496 VanDerWaalsContact C-N 3.33Å; T494-T529 HydrophobicContact CG2-CG2 3.35Å
495	R	94.3	Very high	95.3	Very high	131 Å²	131	28.3 Å²	28.3	49%	0.494	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	7.3	177.1	-57	-51.9	178.1	164.2	3.8	113.9	Q455 N491 L492 L493	Q455-R495 PolarHBondContact NE2-O 3.32Å; N491-R495 WeakPolarHBondContact O-CG 2.83Å; N491-R495 PolarHBondContact O-N 2.87Å; N491-R495 VanDerWaalsContact O-N 3.07Å; N491-R495 PolarHBondContact OD1-NE 3.46Å; L492-R495 PolarHBondContact O-N 2.95Å; L493-R495 PolarHBondContact O-N 3.14Å
496	G	92.3	Very high	95.1	Very high	55 Å²	55	32.1 Å²	32.1	57%	0.567	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.6	-2.6	175.2	0	0	0	0	0	115.2	L492 L493 T494 V498	L492-G496 PolarHBondContact O-N 3.02Å; L493-G496 PolarHBondContact O-N 3.32Å; T494-G496 VanDerWaalsContact C-N 3.33Å; G496-V498 PolarHBondContact O-N 2.83Å
497	C	94.6	Very high	94.9	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.054	19%	0.194	C	C	.	.			trans	-82	46.9	175.6	-156.4	0	0	0	0	111.8	Q455 L492 V501	Q455-C497 HydrophobicContact CB-CB 4.09Å; L492-C497 HydrophobicContact CB-CB 4.08Å; L492-C497 VanDerWaalsContact O-CB 3.28Å; L492-C497 WeakPolarHBondContact O-CB 3.43Å; L492-C497 PolarHBondContact O-N 2.93Å; C497-V501 WeakPolarHBondContact O-CG2 3.37Å
498	V	94.4	Very high	94.6	Very high	37 Å²	37	35.8 Å²	35.8	22%	0.224	19%	0.187	C	C	.	.	H	α-helix	trans	-70.8	-58.1	-167.5	-177.8	0	0	0	0	111.9	L493 G496 V501 L502 F538	L493-V498 HydrophobicContact CD1-CG1 4.38Å; L493-V498 HydrophobicContact CD2-CG2 4.38Å; L493-V498 HydrophobicContact CG-CB 4.33Å; L493-V498 HydrophobicContact CG-CG1 4.14Å; L493-V498 HydrophobicContact CG-CG2 4.11Å; L493-V498 WeakPolarHBondContact O-CG2 3.46Å; G496-V498 PolarHBondContact O-N 2.83Å; V498-V501 PolarHBondContact O-N 2.74Å; V498-L502 HydrophobicContact CG1-CD1 3.9Å; V498-L502 HydrophobicContact CG1-CG 4.44Å; V498-L502 WeakPolarHBondContact O-CG 3.35Å; V498-L502 PolarHBondContact O-N 3.46Å; V498-F538 HydrophobicContact CG1-CD2 3.6Å; V498-F538 HydrophobicContact CG1-CE2 4.2Å
499	V	93.1	Very high	94.2	Very high	28 Å²	28	36.2 Å²	36.2	17%	0.17	19%	0.194	C	C	.	.	H	α-helix	trans	-61.7	-46.2	-173.6	173.7	0	0	0	0	112.4	V501 L502 R503 L541	V499-V501 PolarHBondContact O-N 3.21Å; V499-L502 PolarHBondContact O-N 3.01Å; V499-R503 HydrophobicContact CG1-CG 4.35Å; V499-R503 VanDerWaalsContact CG1-CZ 3.4Å; V499-R503 VanDerWaalsContact CG1-NE 3.25Å; V499-R503 VanDerWaalsContact O-CG 3.31Å; V499-R503 WeakPolarHBondContact O-CG 3.3Å; V499-R503 PolarHBondContact O-N 2.95Å; V499-L541 HydrophobicContact CG1-CD1 4.03Å
500	P	92.8	Very high	93.7	Very high	50 Å²	50	40.1 Å²	40.1	33%	0.325	23%	0.227	S	C	.	.	H	α-helix	trans	-60.6	-41.9	177.9	-25.7	37.1	0	0	0	113.5	L459 Y504	L459-P500 HydrophobicContact CD2-CB 3.55Å; P500-Y504 PolarHBondContact O-N 2.93Å
501	V	96.5	Very high	93	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-50.3	178	171.3	0	0	0	0	110.5	L459 M489 L492 C497 V498 V499 R503 Y504 I505 F522	L459-V501 HydrophobicContact CD1-CG2 3.92Å; L459-V501 HydrophobicContact CD2-CG2 4.09Å; M489-V501 HydrophobicContact CB-CG1 4.07Å; L492-V501 HydrophobicContact CB-CG2 4.12Å; C497-V501 WeakPolarHBondContact O-CG2 3.37Å; V498-V501 PolarHBondContact O-N 2.74Å; V499-V501 PolarHBondContact O-N 3.21Å; V501-R503 VanDerWaalsContact C-N 3.33Å; V501-R503 PolarHBondContact O-N 3.33Å; V501-Y504 PolarHBondContact O-N 3.3Å; V501-I505 HydrophobicContact CG1-CG1 4.48Å; V501-I505 WeakPolarHBondContact O-CG1 3.45Å; V501-I505 PolarHBondContact O-N 3.36Å; V501-F522 HydrophobicContact CG1-CE2 3.96Å; V501-F522 HydrophobicContact CG1-CZ 3.77Å
502	L	95.7	Very high	92.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.5	-35.1	-177.8	-69.9	-177.7	0	0	0	113.4	L493 V498 V499 Y504 I505 K506 F522 F538 L541 F542 M545	L493-L502 HydrophobicContact CD1-CD2 4.06Å; L493-L502 HydrophobicContact CD1-CG 4.24Å; V498-L502 HydrophobicContact CG1-CD1 3.9Å; V498-L502 HydrophobicContact CG1-CG 4.44Å; V498-L502 WeakPolarHBondContact O-CG 3.35Å; V498-L502 PolarHBondContact O-N 3.46Å; V499-L502 PolarHBondContact O-N 3.01Å; L502-Y504 VanDerWaalsContact C-N 3.34Å; L502-I505 PolarHBondContact O-N 3.42Å; L502-K506 VanDerWaalsContact O-CB 3.25Å; L502-K506 WeakPolarHBondContact O-CB 3.06Å; L502-K506 PolarHBondContact O-N 3.48Å; L502-F522 HydrophobicContact CD2-CE1 3.96Å; L502-F522 HydrophobicContact CD2-CZ 4.16Å; L502-F538 HydrophobicContact CD1-CD2 3.41Å; L502-F538 VanDerWaalsContact CD1-CD2 3.41Å; L502-F538 HydrophobicContact CD1-CE2 3.63Å; L502-F538 HydrophobicContact CD1-CG 4.29Å; L502-L541 HydrophobicContact CB-CB 4.07Å; L502-L541 HydrophobicContact CB-CD1 4.17Å; L502-L541 HydrophobicContact CD1-CB 4.24Å; L502-F542 HydrophobicContact CD1-CB 4.21Å; L502-F542 HydrophobicContact CD2-CD2 3.68Å; L502-F542 HydrophobicContact CD2-CE2 4.33Å; L502-F542 HydrophobicContact CD2-CG 4.46Å; L502-M545 HydrophobicContact CD2-CE 4.15Å
503	R	92.5	Very high	91.3	Very high	79 Å²	79	58.8 Å²	58.8	30%	0.298	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-44.2	174.8	-76.4	177.9	-173.1	174.4	2.8	111.6	P204 D205 V499 V501 K506 Q507 L541	P204-R503 PolarHBondContact O-NH1 3.04Å; D205-R503 IonicContact OD1-CZ 2.64Å; D205-R503 IonicContact OD1-NH1 3.52Å; D205-R503 IonicContact OD1-NH2 2.74Å; D205-R503 PolarHBondContact OD1-NH2 3.32Å; V499-R503 HydrophobicContact CG1-CG 4.35Å; V499-R503 VanDerWaalsContact CG1-CZ 3.4Å; V499-R503 VanDerWaalsContact CG1-NE 3.25Å; V499-R503 VanDerWaalsContact O-CG 3.31Å; V499-R503 WeakPolarHBondContact O-CG 3.3Å; V499-R503 PolarHBondContact O-N 2.95Å; V501-R503 VanDerWaalsContact C-N 3.33Å; V501-R503 PolarHBondContact O-N 3.33Å; R503-K506 PolarHBondContact O-N 2.92Å; R503-Q507 PolarHBondContact O-N 3.3Å; R503-L541 HydrophobicContact CG-CD1 4Å; R503-L541 HydrophobicContact CG-CD2 4.1Å
504	Y	93.8	Very high	90.8	Very high	14 Å²	14	59.8 Å²	59.8	6%	0.055	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-47	177.5	172.8	-105	0	0	0	111.9	I463 F466 E467 M489 P500 V501 L502 K506 Q507 C508	I463-Y504 HydrophobicContact CB-CE2 4.14Å; I463-Y504 HydrophobicContact CD1-CD1 4.2Å; I463-Y504 HydrophobicContact CD1-CD2 3.58Å; I463-Y504 HydrophobicContact CD1-CE2 4.03Å; I463-Y504 HydrophobicContact CD1-CG 3.66Å; I463-Y504 HydrophobicContact CG1-CD1 3.83Å; I463-Y504 HydrophobicContact CG1-CD2 3.75Å; I463-Y504 HydrophobicContact CG1-CE1 3.82Å; I463-Y504 HydrophobicContact CG1-CE2 3.73Å; I463-Y504 HydrophobicContact CG1-CG 3.79Å; I463-Y504 HydrophobicContact CG2-CD2 4.09Å; I463-Y504 HydrophobicContact CG2-CE2 3.43Å; I463-Y504 VanDerWaalsContact CG2-CE2 3.43Å; F466-Y504 HydrophobicContact CD1-CE1 4.38Å; F466-Y504 VanDerWaalsContact CD1-OH 3.22Å; F466-Y504 WeakPolarHBondContact CD1-OH 3.48Å; E467-Y504 WeakPolarHBondContact CG-OH 3.37Å; M489-Y504 HydrophobicContact CE-CD1 4.18Å; M489-Y504 HydrophobicContact CE-CE1 3.79Å; M489-Y504 HydrophobicContact SD-CD1 4.17Å; M489-Y504 HydrophobicContact SD-CE1 4.16Å; P500-Y504 PolarHBondContact O-N 2.93Å; V501-Y504 PolarHBondContact O-N 3.3Å; L502-Y504 VanDerWaalsContact C-N 3.34Å; Y504-K506 VanDerWaalsContact C-N 3.34Å; Y504-K506 PolarHBondContact O-N 3.25Å; Y504-Q507 WeakPolarHBondContact O-CB 3.48Å; Y504-Q507 PolarHBondContact O-N 2.9Å; Y504-Q507 VanDerWaalsContact O-N 3.14Å; Y504-C508 PolarHBondContact O-N 3.26Å; Y504-C508 PolarHBondContact O-SG 3.39Å
505	I	95.1	Very high	90.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-40.7	178.2	-59.5	-61.2	0	0	0	111.2	L486 M489 V501 L502 Q507 C508 C509 I519 F522 M545	L486-I505 HydrophobicContact CD2-CD1 3.75Å; M489-I505 HydrophobicContact SD-CD1 4.2Å; V501-I505 HydrophobicContact CG1-CG1 4.48Å; V501-I505 WeakPolarHBondContact O-CG1 3.45Å; V501-I505 PolarHBondContact O-N 3.36Å; L502-I505 PolarHBondContact O-N 3.42Å; I505-Q507 VanDerWaalsContact C-N 3.28Å; I505-Q507 PolarHBondContact O-N 3.01Å; I505-C508 CarbonylContact O-C 3.49Å; I505-C508 WeakPolarHBondContact O-CA 3.14Å; I505-C508 VanDerWaalsContact O-CB 3.31Å; I505-C508 WeakPolarHBondContact O-CB 3.45Å; I505-C508 PolarHBondContact O-N 2.99Å; I505-C509 PolarHBondContact O-N 3.3Å; I505-C509 PolarHBondContact O-SG 3.46Å; I505-I519 HydrophobicContact CG2-CD1 4.13Å; I505-F522 HydrophobicContact CB-CD1 4.39Å; I505-F522 HydrophobicContact CB-CE1 4.17Å; I505-F522 HydrophobicContact CD1-CD2 4.34Å; I505-F522 HydrophobicContact CD1-CE2 4.44Å; I505-F522 HydrophobicContact CD1-CG 4.43Å; I505-F522 HydrophobicContact CG1-CD1 4.09Å; I505-F522 HydrophobicContact CG1-CD2 4.31Å; I505-F522 HydrophobicContact CG1-CE1 3.82Å; I505-F522 HydrophobicContact CG1-CE2 4.05Å; I505-F522 HydrophobicContact CG1-CG 4.33Å; I505-F522 HydrophobicContact CG1-CZ 3.8Å; I505-F522 HydrophobicContact CG2-CD1 3.77Å; I505-F522 HydrophobicContact CG2-CE1 4Å; I505-F522 HydrophobicContact CG2-CG 4.4Å; I505-M545 HydrophobicContact CB-SD 4.42Å; I505-M545 HydrophobicContact CG2-CE 4.39Å; I505-M545 HydrophobicContact CG2-SD 3.8Å
506	K	92.1	Very high	90.3	Very high	80 Å²	80	57.6 Å²	57.6	35%	0.348	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-37.8	174.1	-176.9	175.1	-179.2	173.7	0	112.3	L502 R503 Y504 C509 A510 L541 M545	L502-K506 VanDerWaalsContact O-CB 3.25Å; L502-K506 WeakPolarHBondContact O-CB 3.06Å; L502-K506 PolarHBondContact O-N 3.48Å; R503-K506 PolarHBondContact O-N 2.92Å; Y504-K506 VanDerWaalsContact C-N 3.34Å; Y504-K506 PolarHBondContact O-N 3.25Å; K506-C509 WeakPolarHBondContact O-CB 3.48Å; K506-C509 PolarHBondContact O-N 2.86Å; K506-A510 PolarHBondContact O-N 2.81Å; K506-L541 HydrophobicContact CD-CD2 3.94Å; K506-M545 HydrophobicContact CB-SD 4.16Å
507	Q	91	Very high	90.3	Very high	109 Å²	109	56.7 Å²	56.7	51%	0.509	31%	0.305	S	S	.	.	H	α-helix	trans	-64.8	-40.9	173.1	-179	-179.1	-6.5	0	0	111.4	R503 Y504 I505 C509 A510 I511	R503-Q507 PolarHBondContact O-N 3.3Å; Y504-Q507 WeakPolarHBondContact O-CB 3.48Å; Y504-Q507 PolarHBondContact O-N 2.9Å; Y504-Q507 VanDerWaalsContact O-N 3.14Å; I505-Q507 VanDerWaalsContact C-N 3.28Å; I505-Q507 PolarHBondContact O-N 3.01Å; Q507-C509 PolarHBondContact O-N 3.35Å; Q507-A510 PolarHBondContact O-N 2.91Å; Q507-A510 VanDerWaalsContact O-N 3.07Å; Q507-I511 HydrophobicContact CG-CD1 3.72Å; Q507-I511 HydrophobicContact CG-CG1 4.37Å; Q507-I511 WeakPolarHBondContact O-CG1 3.28Å; Q507-I511 PolarHBondContact O-N 3Å
508	C	91.8	Very high	90.3	Very high	10 Å²	10	56.4 Å²	56.4	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-30.8	173.6	-61.1	0	0	0	0	112.6	Y504 I505 T514 I519	Y504-C508 PolarHBondContact O-N 3.26Å; Y504-C508 PolarHBondContact O-SG 3.39Å; I505-C508 CarbonylContact O-C 3.49Å; I505-C508 WeakPolarHBondContact O-CA 3.14Å; I505-C508 VanDerWaalsContact O-CB 3.31Å; I505-C508 WeakPolarHBondContact O-CB 3.45Å; I505-C508 PolarHBondContact O-N 2.99Å; C508-T514 HydrophobicContact CB-CG2 4.41Å; C508-I519 HydrophobicContact CB-CD1 4.02Å
509	C	88.6	Confident	90.3	Very high	44 Å²	44	54.9 Å²	54.9	30%	0.297	29%	0.294	S	S	.	.	H	α-helix	trans	-72.7	-28.6	173.4	-59.8	0	0	0	0	113.1	I505 K506 Q507 I519 M545	I505-C509 PolarHBondContact O-N 3.3Å; I505-C509 PolarHBondContact O-SG 3.46Å; K506-C509 WeakPolarHBondContact O-CB 3.48Å; K506-C509 PolarHBondContact O-N 2.86Å; Q507-C509 PolarHBondContact O-N 3.35Å; C509-I519 WeakPolarHBondContact SG-CG2 3.42Å; C509-M545 VanDerWaalsContact SG-SD 3.63Å
510	A	86.5	Confident	90.4	Very high	82 Å²	82	57 Å²	57	68%	0.678	30%	0.299	S	S	*	.	H	α-helix	trans	-85.5	-29.5	-178.4	0	0	0	0	0	112.7	K506 Q507	K506-A510 PolarHBondContact O-N 2.81Å; Q507-A510 PolarHBondContact O-N 2.91Å; Q507-A510 VanDerWaalsContact O-N 3.07Å
511	I	83.1	Confident	90.5	Very high	87 Å²	87	57.1 Å²	57.1	45%	0.446	29%	0.293	S	S	.	.	S	Bend	trans	-93.8	105.7	173.8	-56	173.3	0	0	0	106	Q507 D513	Q507-I511 HydrophobicContact CG-CD1 3.72Å; Q507-I511 HydrophobicContact CG-CG1 4.37Å; Q507-I511 WeakPolarHBondContact O-CG1 3.28Å; Q507-I511 PolarHBondContact O-N 3Å; I511-D513 HydrophobicContact CG2-CB 3.91Å; I511-D513 PolarHBondContact O-N 3.05Å
512	E	76.5	Confident	90.5	Very high	197 Å²	197	57.1 Å²	57.1	92%	0.921	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	28	-176.9	-61.7	178.2	179.3	0	0	115
513	D	81.2	Confident	90.6	Very high	146 Å²	146	57.1 Å²	57.1	78%	0.781	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-12	179.2	-163.3	30.1	0	0	0	112.7	I511	I511-D513 HydrophobicContact CG2-CB 3.91Å; I511-D513 PolarHBondContact O-N 3.05Å
514	T	86.6	Confident	90.7	Very high	32 Å²	32	55 Å²	55	20%	0.196	29%	0.289	C	S	.	.	S	Bend	trans	-101.8	133.3	178	-55.9	0	0	0	0	111.5	F466 C508 I516 I519	F466-T514 HydrophobicContact CE1-CG2 3.98Å; F466-T514 HydrophobicContact CZ-CG2 3.97Å; C508-T514 HydrophobicContact CB-CG2 4.41Å; T514-I516 PolarHBondContact O-N 3.02Å; T514-I519 HydrophobicContact CG2-CD1 3.82Å; T514-I519 HydrophobicContact CG2-CG1 4.22Å
515	D	88.2	Confident	90.8	Very high	84 Å²	84	56.9 Å²	56.9	45%	0.449	30%	0.299	S	S	.	.			trans	-60.2	124.9	175.9	-176.6	-6.5	0	0	0	111.3	S517 L518 I519	D515-S517 PolarHBondContact O-N 3.17Å; D515-S517 VanDerWaalsContact O-N 3.11Å; D515-S517 WeakPolarHBondContact OD1-CB 3.44Å; D515-S517 PolarHBondContact OD1-N 3.28Å; D515-S517 PolarHBondContact OD1-OG 3.2Å; D515-S517 PolarHBondContact OD2-OG 3.4Å; D515-L518 HydrophobicContact CB-CD1 4.29Å; D515-L518 HydrophobicContact CB-CG 4.43Å; D515-L518 WeakPolarHBondContact O-CB 3.37Å; D515-L518 PolarHBondContact O-N 3.05Å; D515-I519 PolarHBondContact O-N 3.1Å
516	I	90.9	Very high	90.9	Very high	68 Å²	68	56.9 Å²	56.9	35%	0.349	30%	0.299	S	S	.	.	H	α-helix	trans	-53.4	-31.7	176.5	-61.4	175.6	0	0	0	111.5	T514 L518 I519 R520 E550 I551	T514-I516 PolarHBondContact O-N 3.02Å; I516-L518 VanDerWaalsContact C-N 3.29Å; I516-L518 PolarHBondContact O-N 3.45Å; I516-I519 PolarHBondContact O-N 3.03Å; I516-R520 WeakPolarHBondContact O-CB 3.48Å; I516-R520 PolarHBondContact O-N 3.05Å; I516-E550 HydrophobicContact CD1-CB 4.31Å; I516-E550 VanDerWaalsContact CG2-O 3.28Å; I516-E550 WeakPolarHBondContact CG2-O 3.45Å; I516-I551 HydrophobicContact CG2-CG1 4.23Å
517	S	91.5	Very high	91	Very high	35 Å²	35	53.9 Å²	53.9	25%	0.245	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-32.8	177.6	80.6	0	0	0	0	113.3	D515 Y521	D515-S517 PolarHBondContact O-N 3.17Å; D515-S517 VanDerWaalsContact O-N 3.11Å; D515-S517 WeakPolarHBondContact OD1-CB 3.44Å; D515-S517 PolarHBondContact OD1-N 3.28Å; D515-S517 PolarHBondContact OD1-OG 3.2Å; D515-S517 PolarHBondContact OD2-OG 3.4Å; S517-Y521 WeakPolarHBondContact O-CB 3.47Å; S517-Y521 PolarHBondContact O-N 3.32Å
518	L	94.5	Very high	91.1	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-74.9	-39.7	176	-71.1	171.4	0	0	0	111.5	F466 L479 K482 K483 L486 D515 I516 Y521 F522	F466-L518 HydrophobicContact CE2-CD1 4.39Å; F466-L518 HydrophobicContact CZ-CD1 4.13Å; L479-L518 HydrophobicContact CD1-CD1 4.18Å; L479-L518 HydrophobicContact CD1-CD2 3.67Å; L479-L518 HydrophobicContact CD1-CG 3.79Å; L479-L518 HydrophobicContact CG-CD2 4.37Å; K482-L518 HydrophobicContact CB-CD1 3.91Å; K482-L518 HydrophobicContact CB-CD2 3.86Å; K482-L518 HydrophobicContact CD-CD1 3.58Å; K482-L518 HydrophobicContact CG-CD1 4.38Å; K483-L518 HydrophobicContact CG-CD2 3.83Å; L486-L518 HydrophobicContact CD1-CB 4.04Å; L486-L518 HydrophobicContact CD1-CD2 4.15Å; L486-L518 WeakPolarHBondContact CD1-O 3.22Å; D515-L518 HydrophobicContact CB-CD1 4.29Å; D515-L518 HydrophobicContact CB-CG 4.43Å; D515-L518 WeakPolarHBondContact O-CB 3.37Å; D515-L518 PolarHBondContact O-N 3.05Å; I516-L518 VanDerWaalsContact C-N 3.29Å; I516-L518 PolarHBondContact O-N 3.45Å; L518-Y521 WeakPolarHBondContact O-CB 3.4Å; L518-Y521 PolarHBondContact O-N 3.1Å; L518-F522 PolarHBondContact O-N 2.79Å
519	I	94.6	Very high	91.2	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-45.1	174.7	-55.3	-57.5	0	0	0	110.1	I505 C508 C509 T514 D515 I516 Y521 F522 V523 I551	I505-I519 HydrophobicContact CG2-CD1 4.13Å; C508-I519 HydrophobicContact CB-CD1 4.02Å; C509-I519 WeakPolarHBondContact SG-CG2 3.42Å; T514-I519 HydrophobicContact CG2-CD1 3.82Å; T514-I519 HydrophobicContact CG2-CG1 4.22Å; D515-I519 PolarHBondContact O-N 3.1Å; I516-I519 PolarHBondContact O-N 3.03Å; I519-Y521 VanDerWaalsContact C-N 3.33Å; I519-Y521 PolarHBondContact O-N 2.86Å; I519-F522 PolarHBondContact O-N 2.94Å; I519-V523 WeakPolarHBondContact O-CG2 3.19Å; I519-V523 PolarHBondContact O-N 3.34Å; I519-I551 HydrophobicContact CG2-CD1 3.64Å; I519-I551 HydrophobicContact CG2-CG1 4.16Å; I519-I551 HydrophobicContact CG2-CG2 4.01Å
520	R	94.6	Very high	91.4	Very high	71 Å²	71	57.7 Å²	57.7	27%	0.268	30%	0.304	S	S	.	.	H	α-helix	trans	-56.5	-47.9	174.1	-176.3	-174.2	-56.6	132.4	7.2	111.1	I516 F522 V523 T524 E550 I551 M555	I516-R520 WeakPolarHBondContact O-CB 3.48Å; I516-R520 PolarHBondContact O-N 3.05Å; R520-F522 PolarHBondContact O-N 3.3Å; R520-V523 PolarHBondContact O-N 3.06Å; R520-T524 PolarHBondContact O-N 2.98Å; R520-T524 PolarHBondContact O-OG1 3.07Å; R520-E550 PolarHBondContact NH2-O 3.44Å; R520-E550 VanDerWaalsContact NH2-O 3.11Å; R520-I551 HydrophobicContact CB-CG2 4.22Å; R520-I551 WeakPolarHBondContact CD-O 3.47Å; R520-I551 VanDerWaalsContact CG-O 3.26Å; R520-I551 WeakPolarHBondContact CG-O 3.45Å; R520-I551 PolarHBondContact NE-O 3.48Å; R520-M555 HydrophobicContact CG-CG 4.29Å; R520-M555 HydrophobicContact CG-SD 3.62Å
521	Y	95.6	Very high	91.7	Very high	53 Å²	53	58.8 Å²	58.8	21%	0.208	30%	0.303	C	S	.	.	H	α-helix	trans	-55.7	-51.3	176.3	176.5	-95.9	0	0	0	111.8	K483 L486 D487 S517 L518 I519 V523 T524 E525	K483-Y521 HydrophobicContact CB-CD1 4.19Å; K483-Y521 HydrophobicContact CB-CE1 3.82Å; K483-Y521 HydrophobicContact CD-CD2 4.13Å; K483-Y521 HydrophobicContact CD-CE2 4.16Å; K483-Y521 HydrophobicContact CD-CG 4.32Å; K483-Y521 HydrophobicContact CG-CD1 3.9Å; K483-Y521 HydrophobicContact CG-CD2 4.34Å; K483-Y521 HydrophobicContact CG-CE1 4.01Å; K483-Y521 HydrophobicContact CG-CE2 4.43Å; K483-Y521 HydrophobicContact CG-CG 4.07Å; L486-Y521 HydrophobicContact CB-CD1 4.4Å; L486-Y521 HydrophobicContact CB-CE1 4.41Å; L486-Y521 HydrophobicContact CD1-CD1 4.14Å; D487-Y521 VanDerWaalsContact OD1-CE1 3.27Å; D487-Y521 WeakPolarHBondContact OD1-CE1 3.35Å; D487-Y521 PolarHBondContact OD1-OH 2.71Å; S517-Y521 WeakPolarHBondContact O-CB 3.47Å; S517-Y521 PolarHBondContact O-N 3.32Å; L518-Y521 WeakPolarHBondContact O-CB 3.4Å; L518-Y521 PolarHBondContact O-N 3.1Å; I519-Y521 VanDerWaalsContact C-N 3.33Å; I519-Y521 PolarHBondContact O-N 2.86Å; Y521-V523 VanDerWaalsContact C-N 3.32Å; Y521-V523 PolarHBondContact O-N 3.05Å; Y521-T524 WeakPolarHBondContact O-CB 3.27Å; Y521-T524 PolarHBondContact O-N 3.39Å; Y521-E525 HydrophobicContact CD1-CG 4.33Å; Y521-E525 HydrophobicContact CE1-CG 3.9Å; Y521-E525 HydrophobicContact CE2-CG 4.17Å; Y521-E525 WeakPolarHBondContact O-CG 3.36Å; Y521-E525 PolarHBondContact O-N 3.29Å
522	F	97	Very high	91.9	Very high	1 Å²	1	60 Å²	60	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-44	176.9	176.7	-92.7	0	0	0	112.5	L486 M489 V490 L493 V501 L502 I505 L518 I519 R520 T524 E525 V526 F542	L486-F522 HydrophobicContact CB-CD2 4.43Å; L486-F522 HydrophobicContact CD1-CB 4.28Å; L486-F522 HydrophobicContact CD2-CB 4.3Å; L486-F522 HydrophobicContact CD2-CD2 4.01Å; L486-F522 HydrophobicContact CD2-CG 4.45Å; M489-F522 HydrophobicContact CB-CE2 4.45Å; V490-F522 HydrophobicContact CG2-CD2 3.78Å; V490-F522 HydrophobicContact CG2-CE2 3.72Å; L493-F522 HydrophobicContact CD1-CZ 4.36Å; V501-F522 HydrophobicContact CG1-CE2 3.96Å; V501-F522 HydrophobicContact CG1-CZ 3.77Å; L502-F522 HydrophobicContact CD2-CE1 3.96Å; L502-F522 HydrophobicContact CD2-CZ 4.16Å; I505-F522 HydrophobicContact CB-CD1 4.39Å; I505-F522 HydrophobicContact CB-CE1 4.17Å; I505-F522 HydrophobicContact CD1-CD2 4.34Å; I505-F522 HydrophobicContact CD1-CE2 4.44Å; I505-F522 HydrophobicContact CD1-CG 4.43Å; I505-F522 HydrophobicContact CG1-CD1 4.09Å; I505-F522 HydrophobicContact CG1-CD2 4.31Å; I505-F522 HydrophobicContact CG1-CE1 3.82Å; I505-F522 HydrophobicContact CG1-CE2 4.05Å; I505-F522 HydrophobicContact CG1-CG 4.33Å; I505-F522 HydrophobicContact CG1-CZ 3.8Å; I505-F522 HydrophobicContact CG2-CD1 3.77Å; I505-F522 HydrophobicContact CG2-CE1 4Å; I505-F522 HydrophobicContact CG2-CG 4.4Å; L518-F522 PolarHBondContact O-N 2.79Å; I519-F522 PolarHBondContact O-N 2.94Å; R520-F522 PolarHBondContact O-N 3.3Å; F522-T524 PolarHBondContact O-N 3.07Å; F522-E525 PolarHBondContact O-N 3.08Å; F522-V526 HydrophobicContact CD1-CG2 4.15Å; F522-V526 HydrophobicContact CD2-CG2 4.42Å; F522-V526 HydrophobicContact CE1-CG2 3.68Å; F522-V526 HydrophobicContact CE2-CG2 3.98Å; F522-V526 HydrophobicContact CG-CG2 4.5Å; F522-V526 HydrophobicContact CZ-CG2 3.58Å; F522-V526 VanDerWaalsContact O-CG2 3.3Å; F522-V526 WeakPolarHBondContact O-CG2 3.35Å; F522-V526 PolarHBondContact O-N 2.93Å; F522-F542 HydrophobicContact CE1-CE2 4.34Å
523	V	96.2	Very high	92.7	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-43.3	178.1	168.7	0	0	0	0	111.3	I519 R520 Y521 V526 L527 F542 M545 V546 I551 T552	I519-V523 WeakPolarHBondContact O-CG2 3.19Å; I519-V523 PolarHBondContact O-N 3.34Å; R520-V523 PolarHBondContact O-N 3.06Å; Y521-V523 VanDerWaalsContact C-N 3.32Å; Y521-V523 PolarHBondContact O-N 3.05Å; V523-V526 PolarHBondContact O-N 3.19Å; V523-L527 HydrophobicContact CG1-CD1 3.83Å; V523-L527 HydrophobicContact CG1-CG 4.36Å; V523-L527 WeakPolarHBondContact O-CB 3.3Å; V523-L527 VanDerWaalsContact O-CG 3.32Å; V523-L527 WeakPolarHBondContact O-CG 3.46Å; V523-L527 PolarHBondContact O-N 2.56Å; V523-F542 HydrophobicContact CB-CZ 4.39Å; V523-F542 HydrophobicContact CG1-CZ 4.05Å; V523-F542 HydrophobicContact CG2-CE2 4.08Å; V523-F542 HydrophobicContact CG2-CZ 4.35Å; V523-M545 HydrophobicContact CG2-CB 4.45Å; V523-V546 HydrophobicContact CG1-CG2 3.99Å; V523-I551 HydrophobicContact CG2-CG2 4.18Å; V523-T552 HydrophobicContact CG1-CG2 3.89Å
524	T	94.9	Very high	93.2	Very high	34 Å²	34	50.8 Å²	50.8	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-58	-54.4	175.7	-52.6	0	0	0	0	111.4	R520 Y521 F522 V526 L527 E528 M555	R520-T524 PolarHBondContact O-N 2.98Å; R520-T524 PolarHBondContact O-OG1 3.07Å; Y521-T524 WeakPolarHBondContact O-CB 3.27Å; Y521-T524 PolarHBondContact O-N 3.39Å; F522-T524 PolarHBondContact O-N 3.07Å; T524-V526 VanDerWaalsContact C-N 3.27Å; T524-V526 PolarHBondContact O-N 3.21Å; T524-L527 PolarHBondContact O-N 3.41Å; T524-L527 VanDerWaalsContact O-N 3.11Å; T524-E528 WeakPolarHBondContact O-CG 3.4Å; T524-E528 PolarHBondContact O-N 3.43Å; T524-M555 HydrophobicContact CG2-CE 4.06Å; T524-M555 WeakPolarHBondContact OG1-CE 3.2Å
525	E	96	Very high	93.5	Very high	54 Å²	54	52 Å²	52	25%	0.252	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-38.3	-177.8	-65.6	-59	133.7	0	0	111.9	V490 Y521 F522 T529	V490-E525 HydrophobicContact CG2-CB 4.05Å; Y521-E525 HydrophobicContact CD1-CG 4.33Å; Y521-E525 HydrophobicContact CE1-CG 3.9Å; Y521-E525 HydrophobicContact CE2-CG 4.17Å; Y521-E525 WeakPolarHBondContact O-CG 3.36Å; Y521-E525 PolarHBondContact O-N 3.29Å; F522-E525 PolarHBondContact O-N 3.08Å; E525-T529 WeakPolarHBondContact O-CB 3.41Å; E525-T529 PolarHBondContact O-N 3.01Å; E525-T529 PolarHBondContact O-OG1 2.99Å
526	V	96.6	Very high	93.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.6	-45.8	175.5	172	0	0	0	0	111.2	V490 L493 F522 V523 T524 E528 T529 I530 F538 F542	V490-V526 HydrophobicContact CG2-CG2 4.06Å; L493-V526 HydrophobicContact CD1-CG1 4.36Å; L493-V526 HydrophobicContact CD1-CG2 4.06Å; F522-V526 HydrophobicContact CD1-CG2 4.15Å; F522-V526 HydrophobicContact CD2-CG2 4.42Å; F522-V526 HydrophobicContact CE1-CG2 3.68Å; F522-V526 HydrophobicContact CE2-CG2 3.98Å; F522-V526 HydrophobicContact CG-CG2 4.5Å; F522-V526 HydrophobicContact CZ-CG2 3.58Å; F522-V526 VanDerWaalsContact O-CG2 3.3Å; F522-V526 WeakPolarHBondContact O-CG2 3.35Å; F522-V526 PolarHBondContact O-N 2.93Å; V523-V526 PolarHBondContact O-N 3.19Å; T524-V526 VanDerWaalsContact C-N 3.27Å; T524-V526 PolarHBondContact O-N 3.21Å; V526-E528 VanDerWaalsContact C-N 3.28Å; V526-E528 PolarHBondContact O-N 3.29Å; V526-T529 PolarHBondContact O-N 3.25Å; V526-I530 HydrophobicContact CG1-CD1 4.12Å; V526-I530 HydrophobicContact CG1-CG2 4.03Å; V526-I530 WeakPolarHBondContact O-CG1 3.48Å; V526-I530 WeakPolarHBondContact O-CG2 3.48Å; V526-I530 PolarHBondContact O-N 3.25Å; V526-F538 HydrophobicContact CG1-CZ 4.31Å; V526-F542 HydrophobicContact CB-CE2 4.06Å; V526-F542 HydrophobicContact CB-CZ 3.74Å; V526-F542 HydrophobicContact CG1-CD2 4.49Å; V526-F542 HydrophobicContact CG1-CE1 3.89Å; V526-F542 HydrophobicContact CG1-CE2 3.78Å; V526-F542 HydrophobicContact CG1-CZ 3.44Å; V526-F542 VanDerWaalsContact CG1-CZ 3.44Å
527	L	94.9	Very high	93.6	Very high	16 Å²	16	55 Å²	55	8%	0.084	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-35.3	178.6	-75.2	171.8	0	0	0	112.6	V523 T524 T529 I530 F542 P563 V564 F567	V523-L527 HydrophobicContact CG1-CD1 3.83Å; V523-L527 HydrophobicContact CG1-CG 4.36Å; V523-L527 WeakPolarHBondContact O-CB 3.3Å; V523-L527 VanDerWaalsContact O-CG 3.32Å; V523-L527 WeakPolarHBondContact O-CG 3.46Å; V523-L527 PolarHBondContact O-N 2.56Å; T524-L527 PolarHBondContact O-N 3.41Å; T524-L527 VanDerWaalsContact O-N 3.11Å; L527-T529 VanDerWaalsContact C-N 3.26Å; L527-T529 PolarHBondContact O-N 3.49Å; L527-I530 HydrophobicContact CD2-CD1 4.4Å; L527-F542 HydrophobicContact CD2-CE1 3.89Å; L527-F542 HydrophobicContact CG-CE1 4.12Å; L527-F542 HydrophobicContact CG-CZ 4.3Å; L527-P563 HydrophobicContact CB-CB 4.3Å; L527-V564 HydrophobicContact CD1-CB 4.39Å; L527-V564 HydrophobicContact CD1-CG2 3.53Å; L527-F567 HydrophobicContact CD2-CB 3.65Å; L527-F567 HydrophobicContact CD2-CD1 4.29Å; L527-F567 HydrophobicContact CD2-CD2 3.88Å; L527-F567 HydrophobicContact CD2-CG 3.66Å
528	E	93.2	Very high	93.8	Very high	136 Å²	136	53.9 Å²	53.9	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-71	-21.6	175.5	-69.7	-175.2	-173.5	0	0	113.2	T524 V526	T524-E528 WeakPolarHBondContact O-CG 3.4Å; T524-E528 PolarHBondContact O-N 3.43Å; V526-E528 VanDerWaalsContact C-N 3.28Å; V526-E528 PolarHBondContact O-N 3.29Å
529	T	93.2	Very high	93.8	Very high	72 Å²	72	54 Å²	54	44%	0.442	29%	0.287	S	S	.	.	H	α-helix	trans	-99.3	-22.9	-173.7	-55.9	0	0	0	0	113.7	T494 E525 V526 L527	T494-T529 HydrophobicContact CG2-CG2 3.35Å; E525-T529 WeakPolarHBondContact O-CB 3.41Å; E525-T529 PolarHBondContact O-N 3.01Å; E525-T529 PolarHBondContact O-OG1 2.99Å; V526-T529 PolarHBondContact O-N 3.25Å; L527-T529 VanDerWaalsContact C-N 3.26Å; L527-T529 PolarHBondContact O-N 3.49Å
530	I	93.5	Very high	93.7	Very high	36 Å²	36	60.2 Å²	60.2	19%	0.185	32%	0.316	C	S	.	.			trans	-99.1	159.8	-174.2	68.9	-179.8	0	0	0	113	L493 V526 L527 Y534 F538 F542 F567	L493-I530 HydrophobicContact CD2-CG2 4.37Å; V526-I530 HydrophobicContact CG1-CD1 4.12Å; V526-I530 HydrophobicContact CG1-CG2 4.03Å; V526-I530 WeakPolarHBondContact O-CG1 3.48Å; V526-I530 WeakPolarHBondContact O-CG2 3.48Å; V526-I530 PolarHBondContact O-N 3.25Å; L527-I530 HydrophobicContact CD2-CD1 4.4Å; I530-Y534 HydrophobicContact CB-CE1 4.41Å; I530-Y534 HydrophobicContact CD1-CE1 3.94Å; I530-Y534 HydrophobicContact CG1-CE1 4.1Å; I530-F538 HydrophobicContact CD1-CE1 3.82Å; I530-F538 HydrophobicContact CD1-CZ 3.47Å; I530-F538 VanDerWaalsContact CD1-CZ 3.47Å; I530-F542 HydrophobicContact CD1-CE1 4.27Å; I530-F567 HydrophobicContact CD1-CD2 4.28Å; I530-F567 HydrophobicContact CD1-CE2 4.06Å
531	T	92.1	Very high	93.6	Very high	105 Å²	105	57.9 Å²	57.9	64%	0.644	31%	0.308	S	S	*	.			trans	-148.1	163.4	168.3	-166.1	0	0	0	0	110.5	Y534	T531-Y534 VanDerWaalsContact O-CE1 3.32Å; T531-Y534 WeakPolarHBondContact O-CE1 3.46Å
532	H	89.2	Confident	93.6	Very high	111 Å²	111	55.3 Å²	55.3	51%	0.514	30%	0.298	S	S	.	.	S	Bend	trans	-69.9	156	179.5	65.2	68.7	0	0	0	111.9	Y534 H570	H532-Y534 HydrophobicContact CB-CE2 4.14Å; H532-H570 AromaticContact CG-NE2 3.89Å
533	P	91.6	Very high	93.5	Very high	115 Å²	115	55.5 Å²	55.5	75%	0.747	30%	0.299	S	S	*	.	S	Bend	cis	-80.8	141.8	1.6	32.6	-34.7	0	0	0	113.5
534	Y	93.2	Very high	93.4	Very high	35 Å²	35	58.4 Å²	58.4	14%	0.137	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-88.8	149.7	178	-50.8	-57.1	0	0	0	111.5	I530 T531 H532 F538 V539 F567 H570 Y575	I530-Y534 HydrophobicContact CB-CE1 4.41Å; I530-Y534 HydrophobicContact CD1-CE1 3.94Å; I530-Y534 HydrophobicContact CG1-CE1 4.1Å; T531-Y534 VanDerWaalsContact O-CE1 3.32Å; T531-Y534 WeakPolarHBondContact O-CE1 3.46Å; H532-Y534 HydrophobicContact CB-CE2 4.14Å; Y534-F538 HydrophobicContact CD1-CD1 4.29Å; Y534-F538 HydrophobicContact CD1-CE1 4.19Å; Y534-F538 HydrophobicContact CG-CD1 4.32Å; Y534-F538 HydrophobicContact CG-CE1 4.48Å; Y534-V539 HydrophobicContact CG-CG2 4.45Å; Y534-F567 HydrophobicContact CD1-CE2 4.35Å; Y534-F567 HydrophobicContact CD2-CD2 4.44Å; Y534-F567 AromaticContact CD2-CE2 3.9Å; Y534-F567 HydrophobicContact CD2-CE2 3.9Å; Y534-F567 HydrophobicContact CE1-CD2 4.4Å; Y534-F567 HydrophobicContact CE1-CE2 4.1Å; Y534-F567 AromaticContact CE2-CD2 3.72Å; Y534-F567 HydrophobicContact CE2-CD2 3.72Å; Y534-F567 AromaticContact CE2-CE2 3.64Å; Y534-F567 HydrophobicContact CE2-CE2 3.64Å; Y534-F567 HydrophobicContact CG-CE2 4.26Å; Y534-F567 AromaticContact CZ-CD2 3.72Å; Y534-F567 AromaticContact CZ-CE2 3.76Å; Y534-H570 AromaticContact CD2-ND1 3.75Å; Y534-H570 AromaticContact CE2-ND1 3.58Å; Y534-Y575 WeakPolarHBondContact CA-OH 3.43Å; Y534-Y575 HydrophobicContact CD2-CE2 4.47Å; Y534-Y575 PolarHBondContact N-OH 3.32Å; Y534-Y575 WeakPolarHBondContact O-CE1 3.47Å; Y534-Y575 VanDerWaalsContact O-CZ 3.3Å; Y534-Y575 PolarHBondContact O-OH 2.94Å
535	S	92.2	Very high	93.3	Very high	58 Å²	58	57 Å²	57	41%	0.406	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-76.1	147.8	169.9	68	0	0	0	0	110.3	E537 F538 V539	S535-E537 PolarHBondContact O-N 2.99Å; S535-F538 WeakPolarHBondContact O-CB 3.34Å; S535-F538 PolarHBondContact O-N 2.81Å; S535-F538 VanDerWaalsContact O-N 3.12Å; S535-F538 WeakPolarHBondContact OG-CB 3.48Å; S535-F538 PolarHBondContact OG-N 3.36Å; S535-V539 WeakPolarHBondContact O-CG2 3.45Å; S535-V539 PolarHBondContact O-N 3.25Å
536	P	91.4	Very high	93.1	Very high	94 Å²	94	54.5 Å²	54.5	61%	0.61	30%	0.298	S	S	*	.	H	α-helix	trans	-55.9	-39.5	175.9	-26.5	35	0	0	0	113	F538 V539 Q540 Y575	P536-F538 PolarHBondContact O-N 3.16Å; P536-V539 PolarHBondContact O-N 3.22Å; P536-Q540 WeakPolarHBondContact O-CB 3.34Å; P536-Q540 PolarHBondContact O-N 2.99Å; P536-Y575 HydrophobicContact CG-CE1 4.42Å
537	E	90.7	Very high	92.9	Very high	120 Å²	120	57.6 Å²	57.6	56%	0.561	31%	0.312	S	S	*	.	H	α-helix	trans	-62.5	-41.4	176.6	-66.3	173.5	-173.1	0	0	112.2	S535 Q540 L541	S535-E537 PolarHBondContact O-N 2.99Å; E537-Q540 PolarHBondContact O-N 3.42Å; E537-L541 WeakPolarHBondContact O-CG 3.45Å; E537-L541 PolarHBondContact O-N 2.77Å
538	F	94.6	Very high	92.7	Very high	12 Å²	12	59.6 Å²	59.6	5%	0.053	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-48.6	174.5	174.3	-88.9	0	0	0	110.7	V498 L502 V526 I530 Y534 S535 P536 Q540 L541 F542 F567	V498-F538 HydrophobicContact CG1-CD2 3.6Å; V498-F538 HydrophobicContact CG1-CE2 4.2Å; L502-F538 HydrophobicContact CD1-CD2 3.41Å; L502-F538 VanDerWaalsContact CD1-CD2 3.41Å; L502-F538 HydrophobicContact CD1-CE2 3.63Å; L502-F538 HydrophobicContact CD1-CG 4.29Å; V526-F538 HydrophobicContact CG1-CZ 4.31Å; I530-F538 HydrophobicContact CD1-CE1 3.82Å; I530-F538 HydrophobicContact CD1-CZ 3.47Å; I530-F538 VanDerWaalsContact CD1-CZ 3.47Å; Y534-F538 HydrophobicContact CD1-CD1 4.29Å; Y534-F538 HydrophobicContact CD1-CE1 4.19Å; Y534-F538 HydrophobicContact CG-CD1 4.32Å; Y534-F538 HydrophobicContact CG-CE1 4.48Å; S535-F538 WeakPolarHBondContact O-CB 3.34Å; S535-F538 PolarHBondContact O-N 2.81Å; S535-F538 VanDerWaalsContact O-N 3.12Å; S535-F538 WeakPolarHBondContact OG-CB 3.48Å; S535-F538 PolarHBondContact OG-N 3.36Å; P536-F538 PolarHBondContact O-N 3.16Å; F538-Q540 VanDerWaalsContact C-N 3.35Å; F538-Q540 PolarHBondContact O-N 3.28Å; F538-L541 PolarHBondContact O-N 3.15Å; F538-F542 HydrophobicContact CD1-CB 4.34Å; F538-F542 HydrophobicContact CE1-CB 3.93Å; F538-F542 AromaticContact CE1-CD1 3.69Å; F538-F542 HydrophobicContact CE1-CD1 3.69Å; F538-F542 HydrophobicContact CE1-CG 4.09Å; F538-F542 HydrophobicContact CE2-CB 4.26Å; F538-F542 HydrophobicContact CE2-CD1 4.43Å; F538-F542 HydrophobicContact CE2-CG 4.29Å; F538-F542 HydrophobicContact CZ-CB 3.87Å; F538-F542 AromaticContact CZ-CD1 3.45Å; F538-F542 HydrophobicContact CZ-CD1 3.45Å; F538-F542 VanDerWaalsContact CZ-CD1 3.45Å; F538-F542 HydrophobicContact CZ-CD2 4.49Å; F538-F542 HydrophobicContact CZ-CE1 4.09Å; F538-F542 AromaticContact CZ-CG 3.7Å; F538-F542 HydrophobicContact CZ-CG 3.7Å; F538-F542 VanDerWaalsContact O-CB 3.28Å; F538-F542 WeakPolarHBondContact O-CB 3.26Å; F538-F542 PolarHBondContact O-N 2.85Å; F538-F567 AromaticContact CE1-CE2 3.76Å; F538-F567 HydrophobicContact CE1-CE2 3.76Å; F538-F567 AromaticContact CE1-CZ 3.79Å; F538-F567 HydrophobicContact CE1-CZ 3.79Å
539	V	94.2	Very high	92.5	Very high	7 Å²	7	60 Å²	60	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-44.8	-180	176.7	0	0	0	0	110.6	Y534 S535 P536 L541 F542 L543 C571 Y575	Y534-V539 HydrophobicContact CG-CG2 4.45Å; S535-V539 WeakPolarHBondContact O-CG2 3.45Å; S535-V539 PolarHBondContact O-N 3.25Å; P536-V539 PolarHBondContact O-N 3.22Å; V539-L541 VanDerWaalsContact C-N 3.25Å; V539-L541 PolarHBondContact O-N 2.87Å; V539-F542 PolarHBondContact O-N 3Å; V539-L543 HydrophobicContact CG1-CB 4.05Å; V539-L543 HydrophobicContact CG1-CD2 4Å; V539-L543 WeakPolarHBondContact O-CB 3.49Å; V539-L543 PolarHBondContact O-N 2.96Å; V539-C571 HydrophobicContact CG1-CB 4.15Å; V539-Y575 HydrophobicContact CB-CD1 4.36Å; V539-Y575 HydrophobicContact CB-CG 4.42Å; V539-Y575 HydrophobicContact CG1-CG 4.19Å; V539-Y575 HydrophobicContact CG2-CD1 3.95Å; V539-Y575 HydrophobicContact CG2-CD2 4.13Å; V539-Y575 HydrophobicContact CG2-CE1 3.98Å; V539-Y575 HydrophobicContact CG2-CE2 4.17Å; V539-Y575 HydrophobicContact CG2-CG 4.04Å
540	Q	92.7	Very high	92.3	Very high	134 Å²	134	62.8 Å²	62.8	63%	0.626	33%	0.333	S	S	*	.	H	α-helix	trans	-61.4	-31.4	179.1	-170.2	-175.6	9	0	0	113.5	P536 E537 F538	P536-Q540 WeakPolarHBondContact O-CB 3.34Å; P536-Q540 PolarHBondContact O-N 2.99Å; E537-Q540 PolarHBondContact O-N 3.42Å; F538-Q540 VanDerWaalsContact C-N 3.35Å; F538-Q540 PolarHBondContact O-N 3.28Å
541	L	93.4	Very high	92	Very high	22 Å²	22	61.3 Å²	61.3	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-87.4	-42.4	178.8	-68.5	172.6	0	0	0	112.5	V499 L502 R503 K506 E537 F538 V539	V499-L541 HydrophobicContact CG1-CD1 4.03Å; L502-L541 HydrophobicContact CB-CB 4.07Å; L502-L541 HydrophobicContact CB-CD1 4.17Å; L502-L541 HydrophobicContact CD1-CB 4.24Å; R503-L541 HydrophobicContact CG-CD1 4Å; R503-L541 HydrophobicContact CG-CD2 4.1Å; K506-L541 HydrophobicContact CD-CD2 3.94Å; E537-L541 WeakPolarHBondContact O-CG 3.45Å; E537-L541 PolarHBondContact O-N 2.77Å; F538-L541 PolarHBondContact O-N 3.15Å; V539-L541 VanDerWaalsContact C-N 3.25Å; V539-L541 PolarHBondContact O-N 2.87Å
542	F	95.8	Very high	91.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-90	-40.2	-170.3	-164.8	-119.1	0	0	0	113.4	L502 F522 V523 V526 L527 I530 F538 V539 M545 V546 F567	L502-F542 HydrophobicContact CD1-CB 4.21Å; L502-F542 HydrophobicContact CD2-CD2 3.68Å; L502-F542 HydrophobicContact CD2-CE2 4.33Å; L502-F542 HydrophobicContact CD2-CG 4.46Å; F522-F542 HydrophobicContact CE1-CE2 4.34Å; V523-F542 HydrophobicContact CB-CZ 4.39Å; V523-F542 HydrophobicContact CG1-CZ 4.05Å; V523-F542 HydrophobicContact CG2-CE2 4.08Å; V523-F542 HydrophobicContact CG2-CZ 4.35Å; V526-F542 HydrophobicContact CB-CE2 4.06Å; V526-F542 HydrophobicContact CB-CZ 3.74Å; V526-F542 HydrophobicContact CG1-CD2 4.49Å; V526-F542 HydrophobicContact CG1-CE1 3.89Å; V526-F542 HydrophobicContact CG1-CE2 3.78Å; V526-F542 HydrophobicContact CG1-CZ 3.44Å; V526-F542 VanDerWaalsContact CG1-CZ 3.44Å; L527-F542 HydrophobicContact CD2-CE1 3.89Å; L527-F542 HydrophobicContact CG-CE1 4.12Å; L527-F542 HydrophobicContact CG-CZ 4.3Å; I530-F542 HydrophobicContact CD1-CE1 4.27Å; F538-F542 HydrophobicContact CD1-CB 4.34Å; F538-F542 HydrophobicContact CE1-CB 3.93Å; F538-F542 AromaticContact CE1-CD1 3.69Å; F538-F542 HydrophobicContact CE1-CD1 3.69Å; F538-F542 HydrophobicContact CE1-CG 4.09Å; F538-F542 HydrophobicContact CE2-CB 4.26Å; F538-F542 HydrophobicContact CE2-CD1 4.43Å; F538-F542 HydrophobicContact CE2-CG 4.29Å; F538-F542 HydrophobicContact CZ-CB 3.87Å; F538-F542 AromaticContact CZ-CD1 3.45Å; F538-F542 HydrophobicContact CZ-CD1 3.45Å; F538-F542 VanDerWaalsContact CZ-CD1 3.45Å; F538-F542 HydrophobicContact CZ-CD2 4.49Å; F538-F542 HydrophobicContact CZ-CE1 4.09Å; F538-F542 AromaticContact CZ-CG 3.7Å; F538-F542 HydrophobicContact CZ-CG 3.7Å; F538-F542 VanDerWaalsContact O-CB 3.28Å; F538-F542 WeakPolarHBondContact O-CB 3.26Å; F538-F542 PolarHBondContact O-N 2.85Å; V539-F542 PolarHBondContact O-N 3Å; F542-M545 HydrophobicContact CD2-CE 3.62Å; F542-M545 HydrophobicContact CE2-CE 4.33Å; F542-M545 WeakPolarHBondContact O-CB 3.33Å; F542-M545 PolarHBondContact O-N 3.24Å; F542-V546 HydrophobicContact CD1-CG2 3.64Å; F542-V546 HydrophobicContact CE1-CG2 3.44Å; F542-V546 VanDerWaalsContact CE1-CG2 3.44Å; F542-V546 HydrophobicContact CE2-CG2 4.39Å; F542-V546 HydrophobicContact CG-CG2 4.21Å; F542-V546 HydrophobicContact CZ-CG2 3.84Å; F542-V546 WeakPolarHBondContact O-CG2 3.19Å; F542-V546 PolarHBondContact O-N 3.39Å; F542-V546 VanDerWaalsContact O-N 3.14Å; F542-F567 AromaticContact CD1-CE1 3.91Å; F542-F567 HydrophobicContact CD1-CE1 3.91Å; F542-F567 HydrophobicContact CD1-CE2 4.22Å; F542-F567 AromaticContact CD1-CZ 3.65Å; F542-F567 HydrophobicContact CD1-CZ 3.65Å; F542-F567 HydrophobicContact CE1-CE1 4.45Å; F542-F567 HydrophobicContact CE1-CZ 4.35Å
543	L	94.3	Very high	91.6	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-55.1	-43.9	-177.6	-178.3	65.3	0	0	0	113.3	V539 M545 V546 E547 F567 I568 C571 T577	V539-L543 HydrophobicContact CG1-CB 4.05Å; V539-L543 HydrophobicContact CG1-CD2 4Å; V539-L543 WeakPolarHBondContact O-CB 3.49Å; V539-L543 PolarHBondContact O-N 2.96Å; L543-M545 PolarHBondContact O-N 3.48Å; L543-V546 PolarHBondContact O-N 2.62Å; L543-E547 HydrophobicContact CD1-CG 3.83Å; L543-E547 HydrophobicContact CG-CG 4.04Å; L543-E547 WeakPolarHBondContact O-CG 3.02Å; L543-E547 PolarHBondContact O-N 3.35Å; L543-F567 HydrophobicContact CB-CE1 4.38Å; L543-F567 HydrophobicContact CD1-CD1 4.33Å; L543-F567 HydrophobicContact CD1-CE1 3.95Å; L543-I568 HydrophobicContact CD1-CG1 4.28Å; L543-C571 HydrophobicContact CD1-CB 4.02Å; L543-C571 HydrophobicContact CD2-CB 4.13Å; L543-T577 HydrophobicContact CD2-CG2 3.84Å
544	P	93	Very high	91.2	Very high	61 Å²	61	52.5 Å²	52.5	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-59.9	-31.6	177.7	-25.2	35.8	0	0	0	113.8	N548	P544-N548 PolarHBondContact O-N 3.06Å
545	M	93.3	Very high	90.6	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-74.5	-36.7	176.4	-60.9	-171.9	-73	0	0	111.4	L502 I505 K506 C509 V523 F542 L543 I551	L502-M545 HydrophobicContact CD2-CE 4.15Å; I505-M545 HydrophobicContact CB-SD 4.42Å; I505-M545 HydrophobicContact CG2-CE 4.39Å; I505-M545 HydrophobicContact CG2-SD 3.8Å; K506-M545 HydrophobicContact CB-SD 4.16Å; C509-M545 VanDerWaalsContact SG-SD 3.63Å; V523-M545 HydrophobicContact CG2-CB 4.45Å; F542-M545 HydrophobicContact CD2-CE 3.62Å; F542-M545 HydrophobicContact CE2-CE 4.33Å; F542-M545 WeakPolarHBondContact O-CB 3.33Å; F542-M545 PolarHBondContact O-N 3.24Å; L543-M545 PolarHBondContact O-N 3.48Å; M545-I551 HydrophobicContact CB-CD1 4.43Å
546	V	93.2	Very high	90.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-73.5	-34	177.8	-176	0	0	0	0	111.7	V523 F542 L543 T552 R556 V564 F567 I568	V523-V546 HydrophobicContact CG1-CG2 3.99Å; F542-V546 HydrophobicContact CD1-CG2 3.64Å; F542-V546 HydrophobicContact CE1-CG2 3.44Å; F542-V546 VanDerWaalsContact CE1-CG2 3.44Å; F542-V546 HydrophobicContact CE2-CG2 4.39Å; F542-V546 HydrophobicContact CG-CG2 4.21Å; F542-V546 HydrophobicContact CZ-CG2 3.84Å; F542-V546 WeakPolarHBondContact O-CG2 3.19Å; F542-V546 PolarHBondContact O-N 3.39Å; F542-V546 VanDerWaalsContact O-N 3.14Å; L543-V546 PolarHBondContact O-N 2.62Å; V546-T552 HydrophobicContact CG1-CG2 4.41Å; V546-T552 WeakPolarHBondContact O-CG2 3.31Å; V546-T552 PolarHBondContact O-OG1 2.93Å; V546-R556 PolarHBondContact O-NH2 3.39Å; V546-V564 HydrophobicContact CG1-CB 4.5Å; V546-V564 HydrophobicContact CG1-CG1 3.78Å; V546-F567 HydrophobicContact CB-CD1 4.19Å; V546-F567 HydrophobicContact CB-CE1 4.32Å; V546-F567 HydrophobicContact CG1-CD1 3.9Å; V546-F567 HydrophobicContact CG2-CD1 4.09Å; V546-F567 HydrophobicContact CG2-CE1 4.03Å; V546-I568 HydrophobicContact CG1-CD1 4.13Å; V546-I568 HydrophobicContact CG1-CG1 3.92Å
547	E	91.7	Very high	89.1	Confident	65 Å²	65	51.9 Å²	51.9	30%	0.304	28%	0.276	S	S	.	.	H	α-helix	trans	-73	-27.1	177.3	-73.9	-169.6	128.4	0	0	113.3	L543 E549 R556 I568 K572	L543-E547 HydrophobicContact CD1-CG 3.83Å; L543-E547 HydrophobicContact CG-CG 4.04Å; L543-E547 WeakPolarHBondContact O-CG 3.02Å; L543-E547 PolarHBondContact O-N 3.35Å; E547-E549 PolarHBondContact O-N 3.11Å; E547-E549 VanDerWaalsContact O-N 3.12Å; E547-R556 PolarHBondContact O-NH2 3.23Å; E547-I568 HydrophobicContact CG-CD1 4.46Å; E547-I568 HydrophobicContact CG-CG1 4.42Å; E547-K572 WeakPolarHBondContact OE1-CE 3.43Å; E547-K572 IonicContact OE1-NZ 3.78Å; E547-K572 PolarHBondContact OE1-NZ 2.63Å
548	N	90.5	Very high	87.9	Confident	59 Å²	59	56.7 Å²	56.7	32%	0.316	30%	0.299	S	S	.	.			trans	-60.9	114	179.7	-174.2	-20.6	0	0	0	111	P544 E550 I551 T552	P544-N548 PolarHBondContact O-N 3.06Å; N548-E550 VanDerWaalsContact C-N 3.26Å; N548-E550 PolarHBondContact O-N 3.28Å; N548-E550 WeakPolarHBondContact OD1-CB 3.27Å; N548-E550 PolarHBondContact OD1-N 2.95Å; N548-I551 HydrophobicContact CB-CB 4.4Å; N548-I551 HydrophobicContact CB-CD1 3.93Å; N548-I551 HydrophobicContact CB-CG1 4.16Å; N548-I551 PolarHBondContact O-N 3.34Å; N548-I551 VanDerWaalsContact O-N 3.11Å; N548-T552 PolarHBondContact O-N 3.19Å; N548-T552 PolarHBondContact O-OG1 2.98Å
549	E	88.4	Confident	86.5	Confident	143 Å²	143	58.1 Å²	58.1	67%	0.668	32%	0.317	S	S	*	.	H	α-helix	trans	-64.9	-26.9	-177.3	-63.4	-168.5	159.6	0	0	113.3	E547 I551 G553	E547-E549 PolarHBondContact O-N 3.11Å; E547-E549 VanDerWaalsContact O-N 3.12Å; E549-I551 VanDerWaalsContact C-N 3.26Å; E549-I551 PolarHBondContact O-N 3Å; E549-G553 WeakPolarHBondContact O-CA 3.36Å; E549-G553 PolarHBondContact O-N 3.46Å
550	E	88.6	Confident	85.2	Confident	131 Å²	131	63.6 Å²	63.6	61%	0.612	35%	0.346	S	S	*	.	H	α-helix	trans	-67.2	-33.1	175.9	-58.9	-175.4	161.7	0	0	111.4	I516 R520 N548	I516-E550 HydrophobicContact CD1-CB 4.31Å; I516-E550 VanDerWaalsContact CG2-O 3.28Å; I516-E550 WeakPolarHBondContact CG2-O 3.45Å; R520-E550 PolarHBondContact NH2-O 3.44Å; R520-E550 VanDerWaalsContact NH2-O 3.11Å; N548-E550 VanDerWaalsContact C-N 3.26Å; N548-E550 PolarHBondContact O-N 3.28Å; N548-E550 WeakPolarHBondContact OD1-CB 3.27Å; N548-E550 PolarHBondContact OD1-N 2.95Å
551	I	88.2	Confident	84.3	Confident	6 Å²	6	64 Å²	64	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-81.4	-58.9	179.2	-59.5	173.3	0	0	0	109.8	I516 I519 R520 V523 M545 N548 E549	I516-I551 HydrophobicContact CG2-CG1 4.23Å; I519-I551 HydrophobicContact CG2-CD1 3.64Å; I519-I551 HydrophobicContact CG2-CG1 4.16Å; I519-I551 HydrophobicContact CG2-CG2 4.01Å; R520-I551 HydrophobicContact CB-CG2 4.22Å; R520-I551 WeakPolarHBondContact CD-O 3.47Å; R520-I551 VanDerWaalsContact CG-O 3.26Å; R520-I551 WeakPolarHBondContact CG-O 3.45Å; R520-I551 PolarHBondContact NE-O 3.48Å; V523-I551 HydrophobicContact CG2-CG2 4.18Å; M545-I551 HydrophobicContact CB-CD1 4.43Å; N548-I551 HydrophobicContact CB-CB 4.4Å; N548-I551 HydrophobicContact CB-CD1 3.93Å; N548-I551 HydrophobicContact CB-CG1 4.16Å; N548-I551 PolarHBondContact O-N 3.34Å; N548-I551 VanDerWaalsContact O-N 3.11Å; E549-I551 VanDerWaalsContact C-N 3.26Å; E549-I551 PolarHBondContact O-N 3Å
552	T	88.2	Confident	84	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-108.1	-1.6	-167.7	66.9	0	0	0	0	114.9	V523 V546 N548 T554 M555 R556 V564	V523-T552 HydrophobicContact CG1-CG2 3.89Å; V546-T552 HydrophobicContact CG1-CG2 4.41Å; V546-T552 WeakPolarHBondContact O-CG2 3.31Å; V546-T552 PolarHBondContact O-OG1 2.93Å; N548-T552 PolarHBondContact O-N 3.19Å; N548-T552 PolarHBondContact O-OG1 2.98Å; T552-T554 PolarHBondContact O-N 3.49Å; T552-T554 VanDerWaalsContact O-N 3.15Å; T552-M555 HydrophobicContact CG2-SD 4.19Å; T552-M555 WeakPolarHBondContact O-CA 3.32Å; T552-M555 WeakPolarHBondContact O-CB 3.46Å; T552-M555 PolarHBondContact O-N 3.2Å; T552-R556 PolarHBondContact OG1-NH2 2.92Å; T552-V564 HydrophobicContact CG2-CG1 4.38Å; T552-V564 HydrophobicContact CG2-CG2 4.32Å
553	G	83.8	Confident	83.6	Confident	34 Å²	34	67.1 Å²	67.1	35%	0.351	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-57.4	-34.7	-174.6	0	0	0	0	0	113.6	E549 M555	E549-G553 WeakPolarHBondContact O-CA 3.36Å; E549-G553 PolarHBondContact O-N 3.46Å; G553-M555 VanDerWaalsContact C-N 3.28Å; G553-M555 PolarHBondContact O-N 3.3Å
554	T	82.8	Confident	83.4	Confident	111 Å²	111	67 Å²	67	68%	0.681	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-78.2	-8.4	176.4	60.3	0	0	0	0	114.3	T552	T552-T554 PolarHBondContact O-N 3.49Å; T552-T554 VanDerWaalsContact O-N 3.15Å
555	M	81.9	Confident	83.2	Confident	48 Å²	48	64.7 Å²	64.7	24%	0.236	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-94.6	-16.3	-179.3	-60	173.3	63	0	0	112.7	R520 T524 T552 G553 G557 V564	R520-M555 HydrophobicContact CG-CG 4.29Å; R520-M555 HydrophobicContact CG-SD 3.62Å; T524-M555 HydrophobicContact CG2-CE 4.06Å; T524-M555 WeakPolarHBondContact OG1-CE 3.2Å; T552-M555 HydrophobicContact CG2-SD 4.19Å; T552-M555 WeakPolarHBondContact O-CA 3.32Å; T552-M555 WeakPolarHBondContact O-CB 3.46Å; T552-M555 PolarHBondContact O-N 3.2Å; G553-M555 VanDerWaalsContact C-N 3.28Å; G553-M555 PolarHBondContact O-N 3.3Å; M555-G557 PolarHBondContact O-N 2.73Å; M555-V564 HydrophobicContact CB-CG2 3.96Å; M555-V564 HydrophobicContact CE-CG2 3.71Å; M555-V564 HydrophobicContact SD-CG2 4.22Å
556	R	80.4	Confident	83.1	Confident	82 Å²	82	69.7 Å²	69.7	31%	0.309	38%	0.382	S	S	.	.			trans	-77.2	119.8	-179.8	-61.3	-179.1	-171.1	168.4	6.1	109.2	V546 E547 T552 D562 V564	V546-R556 PolarHBondContact O-NH2 3.39Å; E547-R556 PolarHBondContact O-NH2 3.23Å; T552-R556 PolarHBondContact OG1-NH2 2.92Å; R556-D562 WeakPolarHBondContact CA-OD2 3.25Å; R556-V564 HydrophobicContact CG-CB 4.49Å; R556-V564 HydrophobicContact CG-CG1 3.97Å
557	G	71.9	Confident	83	Confident	44 Å²	44	69.9 Å²	69.9	45%	0.454	38%	0.382	S	S	.	.			trans	-77.9	169.9	179	0	0	0	0	0	112.1	M555 G559 D562	M555-G557 PolarHBondContact O-N 2.73Å; G557-G559 PolarHBondContact O-N 3.38Å; G557-D562 PolarHBondContact N-OD2 3.06Å
558	E	65.2	Low	83	Confident	222 Å²	222	67.7 Å²	67.7	100%	1.037	37%	0.372	S	S	*	.	S	Bend	trans	-66.5	-10.7	172.4	-70.9	-173.7	166.5	0	0	113.3
559	G	66	Low	83	Confident	42 Å²	42	69.3 Å²	69.3	43%	0.433	38%	0.384	S	S	.	.	S	Bend	trans	-125.9	139	171.9	0	0	0	0	0	110.5	G557 N561	G557-G559 PolarHBondContact O-N 3.38Å; G559-N561 PolarHBondContact O-N 3.07Å
560	D	65.5	Low	83.1	Confident	122 Å²	122	64.5 Å²	64.5	65%	0.652	36%	0.362	S	S	*	.	S	Bend	trans	-63	22.2	-175.9	-62.7	-41.4	0	0	0	115.4
561	N	75	Confident	83.3	Confident	141 Å²	141	58.3 Å²	58.3	75%	0.754	33%	0.333	S	S	*	.			trans	-102.2	20.1	179.6	-65.7	-10.9	0	0	0	112.5	G559	G559-N561 PolarHBondContact O-N 3.07Å
562	D	86.6	Confident	83.3	Confident	17 Å²	17	64.2 Å²	64.2	9%	0.091	36%	0.358	C	S	.	.	S	Bend	trans	-91.1	151.4	171.3	72.4	78.9	0	0	0	110.9	R556 G557 V564 S565 E566	R556-D562 WeakPolarHBondContact CA-OD2 3.25Å; G557-D562 PolarHBondContact N-OD2 3.06Å; D562-V564 PolarHBondContact O-N 2.92Å; D562-V564 VanDerWaalsContact O-N 3.1Å; D562-V564 WeakPolarHBondContact OD1-CA 3.45Å; D562-V564 WeakPolarHBondContact OD1-CB 3.49Å; D562-V564 PolarHBondContact OD1-N 3.26Å; D562-S565 VanDerWaalsContact CG-OG 3.28Å; D562-S565 PolarHBondContact O-N 3.19Å; D562-S565 VanDerWaalsContact O-N 3.15Å; D562-S565 PolarHBondContact OD1-N 2.82Å; D562-S565 PolarHBondContact OD1-OG 3.33Å; D562-S565 WeakPolarHBondContact OD2-CB 3.38Å; D562-S565 PolarHBondContact OD2-OG 3.05Å; D562-E566 WeakPolarHBondContact O-CG 3.43Å; D562-E566 PolarHBondContact O-N 3.45Å
563	P	87.4	Confident	83.3	Confident	72 Å²	72	67.8 Å²	67.8	47%	0.468	39%	0.388	S	S	.	.	H	α-helix	trans	-57.4	-28.1	-176.6	-26.7	34.6	0	0	0	114.6	L527 F567	L527-P563 HydrophobicContact CB-CB 4.3Å; P563-F567 VanDerWaalsContact O-CB 3.25Å; P563-F567 WeakPolarHBondContact O-CB 3.32Å; P563-F567 PolarHBondContact O-N 3.39Å; P563-F567 VanDerWaalsContact O-N 3.13Å
564	V	90.3	Very high	83.5	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.006	40%	0.4	C	S	.	.	H	α-helix	trans	-71.8	-50.8	178.4	170.3	0	0	0	0	109.6	L527 V546 T552 M555 R556 D562 F567 I568	L527-V564 HydrophobicContact CD1-CB 4.39Å; L527-V564 HydrophobicContact CD1-CG2 3.53Å; V546-V564 HydrophobicContact CG1-CB 4.5Å; V546-V564 HydrophobicContact CG1-CG1 3.78Å; T552-V564 HydrophobicContact CG2-CG1 4.38Å; T552-V564 HydrophobicContact CG2-CG2 4.32Å; M555-V564 HydrophobicContact CB-CG2 3.96Å; M555-V564 HydrophobicContact CE-CG2 3.71Å; M555-V564 HydrophobicContact SD-CG2 4.22Å; R556-V564 HydrophobicContact CG-CB 4.49Å; R556-V564 HydrophobicContact CG-CG1 3.97Å; D562-V564 PolarHBondContact O-N 2.92Å; D562-V564 VanDerWaalsContact O-N 3.1Å; D562-V564 WeakPolarHBondContact OD1-CA 3.45Å; D562-V564 WeakPolarHBondContact OD1-CB 3.49Å; D562-V564 PolarHBondContact OD1-N 3.26Å; V564-F567 PolarHBondContact O-N 3.37Å; V564-I568 HydrophobicContact CG1-CD1 3.85Å; V564-I568 VanDerWaalsContact O-CG1 3.31Å; V564-I568 WeakPolarHBondContact O-CG1 3.35Å; V564-I568 PolarHBondContact O-N 2.67Å
565	S	89.2	Confident	83.6	Confident	13 Å²	13	69.1 Å²	69.1	9%	0.091	38%	0.375	C	S	.	.	H	α-helix	trans	-61.9	-45.1	178.9	-62.3	0	0	0	0	111.4	D562 F567 I568 V569	D562-S565 VanDerWaalsContact CG-OG 3.28Å; D562-S565 PolarHBondContact O-N 3.19Å; D562-S565 VanDerWaalsContact O-N 3.15Å; D562-S565 PolarHBondContact OD1-N 2.82Å; D562-S565 PolarHBondContact OD1-OG 3.33Å; D562-S565 WeakPolarHBondContact OD2-CB 3.38Å; D562-S565 PolarHBondContact OD2-OG 3.05Å; S565-F567 PolarHBondContact O-N 3.43Å; S565-I568 PolarHBondContact O-N 3.15Å; S565-V569 WeakPolarHBondContact O-CB 3.32Å; S565-V569 VanDerWaalsContact O-CG2 3.26Å; S565-V569 WeakPolarHBondContact O-CG2 3.39Å; S565-V569 PolarHBondContact O-N 3.4Å
566	E	90	Very high	83.2	Confident	111 Å²	111	73.1 Å²	73.1	52%	0.519	40%	0.403	S	S	.	.	H	α-helix	trans	-59.1	-44.8	176	-71.8	-175.6	178.4	0	0	112.1	D562 H570	D562-E566 WeakPolarHBondContact O-CG 3.43Å; D562-E566 PolarHBondContact O-N 3.45Å; E566-H570 VanDerWaalsContact O-CB 3.3Å; E566-H570 WeakPolarHBondContact O-CB 3.39Å; E566-H570 PolarHBondContact O-N 3.4Å
567	F	92.4	Very high	82	Confident	4 Å²	4	74 Å²	74	2%	0.018	42%	0.417	C	S	.	.	H	α-helix	trans	-62.7	-47	177.8	179.9	-94.6	0	0	0	112.3	L527 I530 Y534 F538 F542 L543 V546 P563 V564 S565 H570 C571	L527-F567 HydrophobicContact CD2-CB 3.65Å; L527-F567 HydrophobicContact CD2-CD1 4.29Å; L527-F567 HydrophobicContact CD2-CD2 3.88Å; L527-F567 HydrophobicContact CD2-CG 3.66Å; I530-F567 HydrophobicContact CD1-CD2 4.28Å; I530-F567 HydrophobicContact CD1-CE2 4.06Å; Y534-F567 HydrophobicContact CD1-CE2 4.35Å; Y534-F567 HydrophobicContact CD2-CD2 4.44Å; Y534-F567 AromaticContact CD2-CE2 3.9Å; Y534-F567 HydrophobicContact CD2-CE2 3.9Å; Y534-F567 HydrophobicContact CE1-CD2 4.4Å; Y534-F567 HydrophobicContact CE1-CE2 4.1Å; Y534-F567 AromaticContact CE2-CD2 3.72Å; Y534-F567 HydrophobicContact CE2-CD2 3.72Å; Y534-F567 AromaticContact CE2-CE2 3.64Å; Y534-F567 HydrophobicContact CE2-CE2 3.64Å; Y534-F567 HydrophobicContact CG-CE2 4.26Å; Y534-F567 AromaticContact CZ-CD2 3.72Å; Y534-F567 AromaticContact CZ-CE2 3.76Å; F538-F567 AromaticContact CE1-CE2 3.76Å; F538-F567 HydrophobicContact CE1-CE2 3.76Å; F538-F567 AromaticContact CE1-CZ 3.79Å; F538-F567 HydrophobicContact CE1-CZ 3.79Å; F542-F567 AromaticContact CD1-CE1 3.91Å; F542-F567 HydrophobicContact CD1-CE1 3.91Å; F542-F567 HydrophobicContact CD1-CE2 4.22Å; F542-F567 AromaticContact CD1-CZ 3.65Å; F542-F567 HydrophobicContact CD1-CZ 3.65Å; F542-F567 HydrophobicContact CE1-CE1 4.45Å; F542-F567 HydrophobicContact CE1-CZ 4.35Å; L543-F567 HydrophobicContact CB-CE1 4.38Å; L543-F567 HydrophobicContact CD1-CD1 4.33Å; L543-F567 HydrophobicContact CD1-CE1 3.95Å; V546-F567 HydrophobicContact CB-CD1 4.19Å; V546-F567 HydrophobicContact CB-CE1 4.32Å; V546-F567 HydrophobicContact CG1-CD1 3.9Å; V546-F567 HydrophobicContact CG2-CD1 4.09Å; V546-F567 HydrophobicContact CG2-CE1 4.03Å; P563-F567 VanDerWaalsContact O-CB 3.25Å; P563-F567 WeakPolarHBondContact O-CB 3.32Å; P563-F567 PolarHBondContact O-N 3.39Å; P563-F567 VanDerWaalsContact O-N 3.13Å; V564-F567 PolarHBondContact O-N 3.37Å; S565-F567 PolarHBondContact O-N 3.43Å; F567-H570 PolarHBondContact O-N 3.01Å; F567-C571 WeakPolarHBondContact CZ-SG 3.46Å; F567-C571 WeakPolarHBondContact O-CB 3.45Å; F567-C571 PolarHBondContact O-N 3.27Å; F567-C571 PolarHBondContact O-SG 2.85Å
568	I	91	Very high	80.6	Confident	18 Å²	18	81.5 Å²	81.5	9%	0.092	45%	0.454	C	S	.	.	H	α-helix	trans	-62.9	-47.9	179.9	-68	168.9	0	0	0	110.5	L543 V546 E547 V564 S565 H570 C571 K572	L543-I568 HydrophobicContact CD1-CG1 4.28Å; V546-I568 HydrophobicContact CG1-CD1 4.13Å; V546-I568 HydrophobicContact CG1-CG1 3.92Å; E547-I568 HydrophobicContact CG-CD1 4.46Å; E547-I568 HydrophobicContact CG-CG1 4.42Å; V564-I568 HydrophobicContact CG1-CD1 3.85Å; V564-I568 VanDerWaalsContact O-CG1 3.31Å; V564-I568 WeakPolarHBondContact O-CG1 3.35Å; V564-I568 PolarHBondContact O-N 2.67Å; S565-I568 PolarHBondContact O-N 3.15Å; I568-H570 PolarHBondContact O-N 3.1Å; I568-C571 PolarHBondContact O-N 3.13Å; I568-K572 HydrophobicContact CG2-CD 3.96Å; I568-K572 HydrophobicContact CG2-CG 4.45Å; I568-K572 WeakPolarHBondContact O-CB 3.22Å; I568-K572 WeakPolarHBondContact O-CG 3.4Å; I568-K572 PolarHBondContact O-N 3.46Å
569	V	90.5	Very high	81.4	Confident	93 Å²	93	74.5 Å²	74.5	56%	0.564	43%	0.425	S	S	*	.	H	α-helix	trans	-60.7	-47.1	-179.9	170.3	0	0	0	0	110.4	S565 C571 K572 A573	S565-V569 WeakPolarHBondContact O-CB 3.32Å; S565-V569 VanDerWaalsContact O-CG2 3.26Å; S565-V569 WeakPolarHBondContact O-CG2 3.39Å; S565-V569 PolarHBondContact O-N 3.4Å; V569-C571 PolarHBondContact O-N 3.43Å; V569-K572 PolarHBondContact O-N 3.04Å; V569-A573 WeakPolarHBondContact O-CB 3.3Å; V569-A573 PolarHBondContact O-N 3.33Å
570	H	91	Very high	82.2	Confident	43 Å²	43	76.2 Å²	76.2	20%	0.199	42%	0.424	C	S	.	.	H	α-helix	trans	-61	-45.4	177.6	-178.4	-78.1	0	0	0	111.7	H532 Y534 E566 F567 I568 A573 H574	H532-H570 AromaticContact CG-NE2 3.89Å; Y534-H570 AromaticContact CD2-ND1 3.75Å; Y534-H570 AromaticContact CE2-ND1 3.58Å; E566-H570 VanDerWaalsContact O-CB 3.3Å; E566-H570 WeakPolarHBondContact O-CB 3.39Å; E566-H570 PolarHBondContact O-N 3.4Å; F567-H570 PolarHBondContact O-N 3.01Å; I568-H570 PolarHBondContact O-N 3.1Å; H570-A573 PolarHBondContact O-N 2.98Å; H570-H574 AromaticContact CD2-CE1 3.89Å; H570-H574 AromaticContact CD2-ND1 3.8Å; H570-H574 AromaticContact CE1-ND1 3.79Å; H570-H574 AromaticContact CG-ND1 3.96Å; H570-H574 AromaticContact ND1-ND1 3.96Å; H570-H574 AromaticContact NE2-CE1 3.84Å; H570-H574 AromaticContact NE2-ND1 3.7Å; H570-H574 PolarHBondContact O-N 2.96Å; H570-H574 PolarHBondContact O-ND1 2.94Å
571	C	91.9	Very high	83.1	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.007	41%	0.412	C	S	.	.	H	α-helix	trans	-63.9	-45.2	-179.6	-70.9	0	0	0	0	112	V539 L543 F567 I568 V569 A573 H574 Y575	V539-C571 HydrophobicContact CG1-CB 4.15Å; L543-C571 HydrophobicContact CD1-CB 4.02Å; L543-C571 HydrophobicContact CD2-CB 4.13Å; F567-C571 WeakPolarHBondContact CZ-SG 3.46Å; F567-C571 WeakPolarHBondContact O-CB 3.45Å; F567-C571 PolarHBondContact O-N 3.27Å; F567-C571 PolarHBondContact O-SG 2.85Å; I568-C571 PolarHBondContact O-N 3.13Å; V569-C571 PolarHBondContact O-N 3.43Å; C571-A573 VanDerWaalsContact C-N 3.31Å; C571-A573 PolarHBondContact O-N 3.47Å; C571-H574 PolarHBondContact O-N 3.05Å; C571-Y575 HydrophobicContact CB-CD2 4.49Å; C571-Y575 WeakPolarHBondContact O-CA 3.26Å; C571-Y575 WeakPolarHBondContact O-CB 3.43Å; C571-Y575 WeakPolarHBondContact O-CD2 3.35Å; C571-Y575 PolarHBondContact O-N 3.43Å
572	K	88.6	Confident	83.6	Confident	130 Å²	130	69.7 Å²	69.7	57%	0.565	39%	0.392	S	S	*	.	H	α-helix	trans	-65.8	-32	178.3	-73.8	-177.5	175.2	170.7	0	113.5	E547 I568 V569	E547-K572 WeakPolarHBondContact OE1-CE 3.43Å; E547-K572 IonicContact OE1-NZ 3.78Å; E547-K572 PolarHBondContact OE1-NZ 2.63Å; I568-K572 HydrophobicContact CG2-CD 3.96Å; I568-K572 HydrophobicContact CG2-CG 4.45Å; I568-K572 WeakPolarHBondContact O-CB 3.22Å; I568-K572 WeakPolarHBondContact O-CG 3.4Å; I568-K572 PolarHBondContact O-N 3.46Å; V569-K572 PolarHBondContact O-N 3.04Å
573	A	88.6	Confident	83.4	Confident	75 Å²	75	73 Å²	73	62%	0.62	41%	0.41	S	S	*	.	H	α-helix	trans	-73	-32.5	178.1	0	0	0	0	0	113.1	V569 H570 C571	V569-A573 WeakPolarHBondContact O-CB 3.3Å; V569-A573 PolarHBondContact O-N 3.33Å; H570-A573 PolarHBondContact O-N 2.98Å; C571-A573 VanDerWaalsContact C-N 3.31Å; C571-A573 PolarHBondContact O-N 3.47Å
574	H	88.2	Confident	83.1	Confident	129 Å²	129	73.1 Å²	73.1	60%	0.597	41%	0.407	S	S	*	.	H	α-helix	trans	-113.8	-17.8	-169.5	-62.8	91	0	0	0	114.8	H570 C571	H570-H574 AromaticContact CD2-CE1 3.89Å; H570-H574 AromaticContact CD2-ND1 3.8Å; H570-H574 AromaticContact CE1-ND1 3.79Å; H570-H574 AromaticContact CG-ND1 3.96Å; H570-H574 AromaticContact ND1-ND1 3.96Å; H570-H574 AromaticContact NE2-CE1 3.84Å; H570-H574 AromaticContact NE2-ND1 3.7Å; H570-H574 PolarHBondContact O-N 2.96Å; H570-H574 PolarHBondContact O-ND1 2.94Å; C571-H574 PolarHBondContact O-N 3.05Å
575	Y	84.3	Confident	82.6	Confident	43 Å²	43	78.2 Å²	78.2	17%	0.169	44%	0.435	C	S	.	.			trans	-125.6	118.9	-176	-55.4	-99.2	0	0	0	108.6	Y534 P536 V539 C571 T577	Y534-Y575 WeakPolarHBondContact CA-OH 3.43Å; Y534-Y575 HydrophobicContact CD2-CE2 4.47Å; Y534-Y575 PolarHBondContact N-OH 3.32Å; Y534-Y575 WeakPolarHBondContact O-CE1 3.47Å; Y534-Y575 VanDerWaalsContact O-CZ 3.3Å; Y534-Y575 PolarHBondContact O-OH 2.94Å; P536-Y575 HydrophobicContact CG-CE1 4.42Å; V539-Y575 HydrophobicContact CB-CD1 4.36Å; V539-Y575 HydrophobicContact CB-CG 4.42Å; V539-Y575 HydrophobicContact CG1-CG 4.19Å; V539-Y575 HydrophobicContact CG2-CD1 3.95Å; V539-Y575 HydrophobicContact CG2-CD2 4.13Å; V539-Y575 HydrophobicContact CG2-CE1 3.98Å; V539-Y575 HydrophobicContact CG2-CE2 4.17Å; V539-Y575 HydrophobicContact CG2-CG 4.04Å; C571-Y575 HydrophobicContact CB-CD2 4.49Å; C571-Y575 WeakPolarHBondContact O-CA 3.26Å; C571-Y575 WeakPolarHBondContact O-CB 3.43Å; C571-Y575 WeakPolarHBondContact O-CD2 3.35Å; C571-Y575 PolarHBondContact O-N 3.43Å; Y575-T577 PolarHBondContact O-N 3.18Å
576	T	72.6	Confident	82.1	Confident	132 Å²	132	83.2 Å²	83.2	81%	0.81	46%	0.462	S	S	*	.			trans	-72.9	112.9	167.9	-40	0	0	0	0	106.9	V578	T576-V578 PolarHBondContact O-N 2.73Å
577	T	55.2	Low	81.5	Confident	101 Å²	101	80.9 Å²	80.9	62%	0.62	46%	0.457	S	S	*	.			trans	-59.3	110.7	166.3	44.4	0	0	0	0	107.4	L543 Y575	L543-T577 HydrophobicContact CD2-CG2 3.84Å; Y575-T577 PolarHBondContact O-N 3.18Å
578	V	43.3	Very low	80.5	Confident	202 Å²	202	87.9 Å²	87.9	100%	1.224	50%	0.497	S	S	*	.			trans	-75.3	0	173	-179.3	0	0	0	0	109.6	T576	T576-V578 PolarHBondContact O-N 2.73Å

Retrieved 578 of 578 residues in 193.6 ms (Link to these results)

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