A0A096MMQ4_PAPAN Loading...

Muscarinic acetylcholine receptor

The muscarinic acetylcholine receptor mediates various cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides and modulation of potassium channels through the action of G proteins. Primary transducing effect is Pi turnover.

AlphaFold DB , UniProt , Accession A0A096MMQ4, Species PAPAN (Papio anubis, Olive baboon), Gene CHRM5, Length 532 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	35.3	Very low	35.3	Very low	231 Å²	231	141.3 Å²	141.3	100%	1.138	79%	0.788	S	S	*	*				0	80.3	0	-77.7	-170.8	176.2	0	0	107.9
2	E	36.1	Very low	35.8	Very low	168 Å²	168	137.4 Å²	137.4	79%	0.785	77%	0.77	S	S	*	*			trans	-71.8	146.6	-176.6	-69.8	82.1	135.5	0	0	109.3
3	G	35.2	Very low	36.8	Very low	77 Å²	77	138.3 Å²	138.3	79%	0.794	77%	0.772	S	S	*	*			trans	-114.2	96.8	172.6	0	0	0	0	0	108.8	S5	G3-S5 PolarHBondContact O-N 3.25Å
4	D	33.9	Very low	37.7	Very low	129 Å²	129	134.3 Å²	134.3	69%	0.69	78%	0.777	S	S	*	*			trans	-63.4	120.6	-176.9	-74.2	-51.4	0	0	0	111.9	Y6	D4-Y6 HydrophobicContact CB-CE2 4.19Å; D4-Y6 PolarHBondContact O-N 3.47Å
5	S	33.3	Very low	37.5	Very low	94 Å²	94	131.2 Å²	131.2	66%	0.657	76%	0.762	S	S	*	*			trans	-88.1	92.7	176.9	-163.3	0	0	0	0	110.1	G3 H7	G3-S5 PolarHBondContact O-N 3.25Å; S5-H7 PolarHBondContact O-CD2 2.88Å; S5-H7 PolarHBondContact O-N 3.11Å
6	Y	32.7	Very low	37.3	Very low	202 Å²	202	130.8 Å²	130.8	79%	0.792	76%	0.764	S	S	*	*			trans	-65.8	91.4	177.2	-76.3	-85.3	0	0	0	112.1	D4 N8	D4-Y6 HydrophobicContact CB-CE2 4.19Å; D4-Y6 PolarHBondContact O-N 3.47Å; Y6-N8 PolarHBondContact O-N 3.35Å; Y6-N8 VanDerWaalsContact O-N 3.12Å
7	H	36.7	Very low	37.3	Very low	167 Å²	167	128.6 Å²	128.6	77%	0.773	75%	0.753	S	S	*	*			trans	-75.5	90	169.6	-76.7	-80.6	0	0	0	111.3	S5 A9	S5-H7 PolarHBondContact O-CD2 2.88Å; S5-H7 PolarHBondContact O-N 3.11Å; H7-A9 VanDerWaalsContact C-N 3.27Å; H7-A9 PolarHBondContact O-N 2.98Å
8	N	34	Very low	36.9	Very low	151 Å²	151	128.9 Å²	128.9	81%	0.807	75%	0.751	S	S	*	*			trans	-71.4	83	165.6	-83.6	-7.5	0	0	0	110.5	Y6 T10	Y6-N8 PolarHBondContact O-N 3.35Å; Y6-N8 VanDerWaalsContact O-N 3.12Å; N8-T10 PolarHBondContact O-N 3.4Å
9	A	36.8	Very low	37	Very low	82 Å²	82	130.4 Å²	130.4	68%	0.678	75%	0.75	S	S	*	*			trans	-84.7	95.3	172.6	0	0	0	0	0	110.5	H7 T11	H7-A9 VanDerWaalsContact C-N 3.27Å; H7-A9 PolarHBondContact O-N 2.98Å; A9-T11 PolarHBondContact O-N 3.25Å; A9-T11 VanDerWaalsContact O-N 3.08Å
10	T	38.4	Very low	37	Very low	131 Å²	131	132.6 Å²	132.6	80%	0.804	75%	0.753	S	S	*	*			trans	-70.5	101.8	178	-47.2	0	0	0	0	110.8	N8	N8-T10 PolarHBondContact O-N 3.4Å
11	T	35.5	Very low	37.2	Very low	122 Å²	122	131.7 Å²	131.7	75%	0.748	75%	0.752	S	S	*	*			trans	-80.4	123.4	179.2	38.6	0	0	0	0	112.3	A9	A9-T11 PolarHBondContact O-N 3.25Å; A9-T11 VanDerWaalsContact O-N 3.08Å
12	V	42.2	Very low	37.9	Very low	95 Å²	95	125.3 Å²	125.3	58%	0.576	72%	0.722	S	S	*	*			trans	-128	129.2	164.7	-179.4	0	0	0	0	107.7	G14	V12-G14 PolarHBondContact O-N 2.96Å
13	N	48.9	Very low	38.7	Very low	149 Å²	149	124.6 Å²	124.6	80%	0.797	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.1	49.7	175.7	-65.4	-1.8	0	0	0	116.2	T15	N13-T15 PolarHBondContact O-N 3.31Å; N13-T15 PolarHBondContact O-OG1 3.11Å; N13-T15 VanDerWaalsContact O-OG1 3.1Å
14	G	48.9	Very low	39.8	Very low	82 Å²	82	132.7 Å²	132.7	85%	0.845	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.5	7.6	158.1	0	0	0	0	0	117.1	V12	V12-G14 PolarHBondContact O-N 2.96Å
15	T	34.4	Very low	41.5	Very low	88 Å²	88	130 Å²	130	54%	0.54	71%	0.709	S	S	.	*	S	Bend	trans	-122.1	131.6	-178.2	39.5	0	0	0	0	109.1	N13 V17	N13-T15 PolarHBondContact O-N 3.31Å; N13-T15 PolarHBondContact O-OG1 3.11Å; N13-T15 VanDerWaalsContact O-OG1 3.1Å; T15-V17 PolarHBondContact O-N 3.47Å
16	P	34	Very low	44	Very low	124 Å²	124	133.9 Å²	133.9	81%	0.805	71%	0.709	S	S	*	*			trans	-71.2	97	175.6	28.5	-32.4	0	0	0	108.6	N18	P16-N18 PolarHBondContact O-N 3.29Å
17	V	37.4	Very low	46.6	Very low	94 Å²	94	130.6 Å²	130.6	57%	0.57	70%	0.704	S	S	*	*			trans	-66.5	88.5	168.6	-178.2	0	0	0	0	107.4	T15 H19	T15-V17 PolarHBondContact O-N 3.47Å; V17-H19 PolarHBondContact O-N 3.02Å
18	N	31.1	Very low	49.2	Very low	134 Å²	134	130.3 Å²	130.3	72%	0.717	70%	0.697	S	S	*	*			trans	-72.7	79	178	-165.8	18.2	0	0	0	108.6	P16 Q20	P16-N18 PolarHBondContact O-N 3.29Å; N18-Q20 VanDerWaalsContact C-N 3.28Å; N18-Q20 PolarHBondContact O-N 2.89Å
19	H	37.7	Very low	51.8	Low	157 Å²	157	125.2 Å²	125.2	73%	0.727	67%	0.668	S	S	*	*			trans	-56.5	97.3	163.2	-75.7	-82	0	0	0	107.1	V17 P21	V17-H19 PolarHBondContact O-N 3.02Å; H19-P21 WeakPolarHBondContact O-CD 3.37Å
20	Q	37	Very low	54.4	Low	174 Å²	174	123.1 Å²	123.1	81%	0.813	65%	0.647	S	S	*	*			trans	-53.5	115.4	172.7	-69.8	-175.9	-83	0	0	107	N18 L22	N18-Q20 VanDerWaalsContact C-N 3.28Å; N18-Q20 PolarHBondContact O-N 2.89Å; Q20-L22 PolarHBondContact O-N 3.38Å
21	P	41.9	Very low	57	Low	114 Å²	114	121.9 Å²	121.9	74%	0.74	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-62.9	118.6	177.2	-19.4	32.8	0	0	0	106.8	H19 E23	H19-P21 WeakPolarHBondContact O-CD 3.37Å; P21-E23 PolarHBondContact O-N 3.12Å
22	L	49.7	Very low	59.8	Low	97 Å²	97	118.8 Å²	118.8	51%	0.508	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-54.1	127.1	175.7	-159.7	81.2	0	0	0	107.4	Q20 R24 G94	Q20-L22 PolarHBondContact O-N 3.38Å; L22-R24 PolarHBondContact O-N 3.31Å; L22-G94 WeakPolarHBondContact CD2-O 3.5Å
23	E	54	Low	62.3	Low	154 Å²	154	116.7 Å²	116.7	72%	0.72	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-52	118.3	-163.9	-72.7	-167.7	119.5	0	0	110.7	P21 H25	P21-E23 PolarHBondContact O-N 3.12Å; E23-H25 PolarHBondContact O-N 3.35Å
24	R	57.6	Low	64.4	Low	246 Å²	246	111.2 Å²	111.2	93%	0.928	58%	0.578	S	S	*	*			trans	-73.8	85.2	-177.7	-170.1	172.3	-173.2	159.7	2.3	108.8	L22 R26	L22-R24 PolarHBondContact O-N 3.31Å; R24-R26 PolarHBondContact O-N 3.4Å
25	H	70.3	Confident	66.7	Low	74 Å²	74	110 Å²	110	34%	0.343	56%	0.56	S	S	.	*			trans	-41.3	131.4	-179	-78.4	-53.2	0	0	0	111.6	E23 E29 V30	E23-H25 PolarHBondContact O-N 3.35Å; H25-E29 VanDerWaalsContact CA-OE2 3.29Å; H25-E29 WeakPolarHBondContact CA-OE2 3.4Å; H25-E29 HydrophobicContact CB-CB 4.26Å; H25-E29 IonicContact CG-OE2 2.94Å; H25-E29 IonicContact ND1-OE2 2.75Å; H25-E29 PolarHBondContact ND1-OE2 3.41Å; H25-V30 HydrophobicContact CB-CG2 3.55Å
26	R	83.8	Confident	69.7	Low	174 Å²	174	110.3 Å²	110.3	66%	0.657	56%	0.562	S	S	*	*			trans	-62.5	148	177.8	-58.1	-179.7	-176.8	-161	0.5	108.2	R24 W28 E29 V30	R24-R26 PolarHBondContact O-N 3.4Å; R26-W28 PolarHBondContact O-N 3.02Å; R26-E29 HydrophobicContact CB-CG 4.15Å; R26-E29 WeakPolarHBondContact CB-OE1 3.39Å; R26-E29 WeakPolarHBondContact CD-OE1 3.44Å; R26-E29 WeakPolarHBondContact CG-OE1 3.38Å; R26-E29 PolarHBondContact N-OE2 2.93Å; R26-E29 IonicContact NE-OE1 3.11Å; R26-E29 WeakPolarHBondContact O-CA 3.27Å; R26-E29 VanDerWaalsContact O-CB 3.3Å; R26-E29 WeakPolarHBondContact O-CB 3.41Å; R26-E29 PolarHBondContact O-N 3.48Å; R26-V30 PolarHBondContact O-N 3.33Å; R26-V30 VanDerWaalsContact O-N 3.08Å
27	L	87.4	Confident	72.6	Confident	133 Å²	133	105 Å²	105	70%	0.696	53%	0.526	S	S	*	.	H	α-helix	trans	-54.4	-34	-173.8	-176.5	61.3	0	0	0	113.2	I31	L27-I31 HydrophobicContact CD1-CD1 4.18Å; L27-I31 HydrophobicContact CD1-CG1 4.48Å; L27-I31 HydrophobicContact CG-CD1 3.93Å; L27-I31 WeakPolarHBondContact O-CB 3.5Å; L27-I31 WeakPolarHBondContact O-CD1 3.47Å; L27-I31 VanDerWaalsContact O-CG1 3.22Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 3.21Å
28	W	91.3	Very high	75.4	Confident	161 Å²	161	102.9 Å²	102.9	61%	0.61	52%	0.519	S	S	*	.	H	α-helix	trans	-70.4	-31.6	175.3	72.8	-92.3	0	0	0	113.4	R26 S32	R26-W28 PolarHBondContact O-N 3.02Å; W28-S32 VanDerWaalsContact O-CB 3.23Å; W28-S32 WeakPolarHBondContact O-CB 3.47Å; W28-S32 PolarHBondContact O-N 3.14Å; W28-S32 PolarHBondContact O-OG 2.89Å
29	E	89.9	Confident	78.6	Confident	44 Å²	44	100.4 Å²	100.4	21%	0.206	51%	0.509	C	S	.	.	H	α-helix	trans	-68.3	-48.8	174	-63.4	156.9	-157.8	0	0	109.5	H25 R26 I31 S32 I33	H25-E29 VanDerWaalsContact CA-OE2 3.29Å; H25-E29 WeakPolarHBondContact CA-OE2 3.4Å; H25-E29 HydrophobicContact CB-CB 4.26Å; H25-E29 IonicContact CG-OE2 2.94Å; H25-E29 IonicContact ND1-OE2 2.75Å; H25-E29 PolarHBondContact ND1-OE2 3.41Å; R26-E29 HydrophobicContact CB-CG 4.15Å; R26-E29 WeakPolarHBondContact CB-OE1 3.39Å; R26-E29 WeakPolarHBondContact CD-OE1 3.44Å; R26-E29 WeakPolarHBondContact CG-OE1 3.38Å; R26-E29 PolarHBondContact N-OE2 2.93Å; R26-E29 IonicContact NE-OE1 3.11Å; R26-E29 WeakPolarHBondContact O-CA 3.27Å; R26-E29 VanDerWaalsContact O-CB 3.3Å; R26-E29 WeakPolarHBondContact O-CB 3.41Å; R26-E29 PolarHBondContact O-N 3.48Å; E29-I31 VanDerWaalsContact C-N 3.34Å; E29-I31 PolarHBondContact O-N 3.13Å; E29-S32 PolarHBondContact O-N 3.09Å; E29-S32 VanDerWaalsContact O-N 3.15Å; E29-I33 WeakPolarHBondContact O-CB 3.42Å; E29-I33 VanDerWaalsContact O-CG1 3.27Å; E29-I33 WeakPolarHBondContact O-CG1 3.46Å; E29-I33 PolarHBondContact O-N 3.09Å
30	V	90.8	Very high	81.4	Confident	39 Å²	39	94.5 Å²	94.5	24%	0.236	48%	0.483	C	S	.	.	H	α-helix	trans	-54	-50.4	175.8	175.7	0	0	0	0	110.8	H25 R26 A34 L92	H25-V30 HydrophobicContact CB-CG2 3.55Å; R26-V30 PolarHBondContact O-N 3.33Å; R26-V30 VanDerWaalsContact O-N 3.08Å; V30-A34 VanDerWaalsContact O-CB 3.22Å; V30-A34 WeakPolarHBondContact O-CB 3.26Å; V30-A34 PolarHBondContact O-N 3.3Å; V30-L92 HydrophobicContact CB-CD2 4.48Å; V30-L92 HydrophobicContact CG1-CD2 4.14Å
31	I	93.7	Very high	84.3	Confident	104 Å²	104	86.4 Å²	86.4	53%	0.533	45%	0.446	S	S	.	.	H	α-helix	trans	-63.7	-42.2	178.3	-69.3	166.6	0	0	0	111.3	L27 E29 A35	L27-I31 HydrophobicContact CD1-CD1 4.18Å; L27-I31 HydrophobicContact CD1-CG1 4.48Å; L27-I31 HydrophobicContact CG-CD1 3.93Å; L27-I31 WeakPolarHBondContact O-CB 3.5Å; L27-I31 WeakPolarHBondContact O-CD1 3.47Å; L27-I31 VanDerWaalsContact O-CG1 3.22Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 3.21Å; E29-I31 VanDerWaalsContact C-N 3.34Å; E29-I31 PolarHBondContact O-N 3.13Å; I31-A35 VanDerWaalsContact O-CB 3.28Å; I31-A35 WeakPolarHBondContact O-CB 3.27Å; I31-A35 PolarHBondContact O-N 3.44Å
32	S	94	Very high	86.9	Confident	57 Å²	57	86 Å²	86	40%	0.399	44%	0.437	S	S	.	.	H	α-helix	trans	-67.1	-45.4	-178.9	-60.8	0	0	0	0	112	W28 E29 A35 V36	W28-S32 VanDerWaalsContact O-CB 3.23Å; W28-S32 WeakPolarHBondContact O-CB 3.47Å; W28-S32 PolarHBondContact O-N 3.14Å; W28-S32 PolarHBondContact O-OG 2.89Å; E29-S32 PolarHBondContact O-N 3.09Å; E29-S32 VanDerWaalsContact O-N 3.15Å; S32-A35 PolarHBondContact O-N 3.33Å; S32-V36 WeakPolarHBondContact O-CB 3.38Å; S32-V36 VanDerWaalsContact O-CG2 3.3Å; S32-V36 WeakPolarHBondContact O-CG2 3.46Å; S32-V36 PolarHBondContact O-N 2.98Å
33	I	93.6	Very high	89.2	Confident	52 Å²	52	85.4 Å²	85.4	27%	0.267	43%	0.434	S	S	.	.	H	α-helix	trans	-61.8	-51.4	176.5	-66.5	164.4	0	0	0	109.2	E29 A35 V36 T37 I91 L92	E29-I33 WeakPolarHBondContact O-CB 3.42Å; E29-I33 VanDerWaalsContact O-CG1 3.27Å; E29-I33 WeakPolarHBondContact O-CG1 3.46Å; E29-I33 PolarHBondContact O-N 3.09Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 3.43Å; I33-V36 PolarHBondContact O-N 2.87Å; I33-T37 HydrophobicContact CG2-CG2 4.19Å; I33-T37 WeakPolarHBondContact O-CG2 3.46Å; I33-T37 PolarHBondContact O-N 2.7Å; I33-T37 PolarHBondContact O-OG1 2.89Å; I33-I91 HydrophobicContact CG2-CD1 4Å; I33-L92 HydrophobicContact CB-CD2 3.95Å; I33-L92 HydrophobicContact CG2-CD2 3.77Å
34	A	95	Very high	91.2	Very high	34 Å²	34	78 Å²	78	28%	0.281	40%	0.399	S	S	.	.	H	α-helix	trans	-56	-44.6	178.7	0	0	0	0	0	112.8	V30 T37 A38 L92	V30-A34 VanDerWaalsContact O-CB 3.22Å; V30-A34 WeakPolarHBondContact O-CB 3.26Å; V30-A34 PolarHBondContact O-N 3.3Å; A34-T37 PolarHBondContact O-OG1 3.07Å; A34-A38 WeakPolarHBondContact O-CB 3.38Å; A34-A38 PolarHBondContact O-N 3.5Å; A34-L92 HydrophobicContact CB-CD1 3.66Å
35	A	96.2	Very high	93.1	Very high	56 Å²	56	68.4 Å²	68.4	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-65.6	-43.8	179	0	0	0	0	0	111.9	I31 S32 I33 V39	I31-A35 VanDerWaalsContact O-CB 3.28Å; I31-A35 WeakPolarHBondContact O-CB 3.27Å; I31-A35 PolarHBondContact O-N 3.44Å; S32-A35 PolarHBondContact O-N 3.33Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 3.43Å; A35-V39 WeakPolarHBondContact O-CB 3.43Å; A35-V39 VanDerWaalsContact O-CG2 3.27Å; A35-V39 WeakPolarHBondContact O-CG2 3.32Å; A35-V39 PolarHBondContact O-N 3.33Å; A35-V39 VanDerWaalsContact O-N 3.08Å
36	V	96.4	Very high	94.4	Very high	95 Å²	95	68.2 Å²	68.2	58%	0.576	37%	0.369	S	S	*	.	H	α-helix	trans	-67.6	-46.6	179.6	171	0	0	0	0	111.3	S32 I33 V39 V40	S32-V36 WeakPolarHBondContact O-CB 3.38Å; S32-V36 VanDerWaalsContact O-CG2 3.3Å; S32-V36 WeakPolarHBondContact O-CG2 3.46Å; S32-V36 PolarHBondContact O-N 2.98Å; I33-V36 PolarHBondContact O-N 2.87Å; V36-V39 PolarHBondContact O-N 2.99Å; V36-V40 WeakPolarHBondContact O-CG2 3.22Å; V36-V40 PolarHBondContact O-N 2.88Å
37	T	95.8	Very high	95	Very high	11 Å²	11	60.5 Å²	60.5	7%	0.067	34%	0.344	C	S	.	.	H	α-helix	trans	-68.6	-38	-179.2	61.9	0	0	0	0	112	I33 A34 V39 V40 S41 T88 W482	I33-T37 HydrophobicContact CG2-CG2 4.19Å; I33-T37 WeakPolarHBondContact O-CG2 3.46Å; I33-T37 PolarHBondContact O-N 2.7Å; I33-T37 PolarHBondContact O-OG1 2.89Å; A34-T37 PolarHBondContact O-OG1 3.07Å; T37-V39 PolarHBondContact O-N 2.97Å; T37-V40 PolarHBondContact O-N 3.19Å; T37-S41 WeakPolarHBondContact O-CB 3.38Å; T37-S41 PolarHBondContact O-N 2.63Å; T37-T88 VanDerWaalsContact CB-OG1 3.29Å; T37-T88 WeakPolarHBondContact CB-OG1 3.21Å; T37-T88 WeakPolarHBondContact OG1-CG2 3.43Å; T37-T88 PolarHBondContact OG1-OG1 2.92Å; T37-W482 HydrophobicContact CG2-CD2 4.18Å; T37-W482 HydrophobicContact CG2-CE3 4.39Å; T37-W482 HydrophobicContact CG2-CH2 3.63Å; T37-W482 HydrophobicContact CG2-CZ2 3.36Å; T37-W482 HydrophobicContact CG2-CZ3 4.13Å
38	A	96.3	Very high	95.4	Very high	50 Å²	50	54.1 Å²	54.1	41%	0.413	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-39.9	173.4	0	0	0	0	0	112.2	A34 S41 L42	A34-A38 WeakPolarHBondContact O-CB 3.38Å; A34-A38 PolarHBondContact O-N 3.5Å; A38-S41 PolarHBondContact O-N 3.09Å; A38-L42 VanDerWaalsContact O-CB 3.31Å; A38-L42 WeakPolarHBondContact O-CB 3.35Å; A38-L42 PolarHBondContact O-N 3.34Å
39	V	97.6	Very high	95.6	Very high	83 Å²	83	49 Å²	49	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-42.2	174	166.7	0	0	0	0	111.3	A35 V36 T37 L42 I43	A35-V39 WeakPolarHBondContact O-CB 3.43Å; A35-V39 VanDerWaalsContact O-CG2 3.27Å; A35-V39 WeakPolarHBondContact O-CG2 3.32Å; A35-V39 PolarHBondContact O-N 3.33Å; A35-V39 VanDerWaalsContact O-N 3.08Å; V36-V39 PolarHBondContact O-N 2.99Å; T37-V39 PolarHBondContact O-N 2.97Å; V39-L42 PolarHBondContact O-N 3.16Å; V39-I43 HydrophobicContact CG1-CD1 3.74Å; V39-I43 HydrophobicContact CG1-CG1 4.47Å; V39-I43 WeakPolarHBondContact O-CB 3.49Å; V39-I43 WeakPolarHBondContact O-CD1 3.35Å; V39-I43 VanDerWaalsContact O-CG1 3.23Å; V39-I43 WeakPolarHBondContact O-CG1 3.4Å; V39-I43 PolarHBondContact O-N 3.36Å
40	V	97.1	Very high	95.8	Very high	32 Å²	32	48 Å²	48	19%	0.194	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-42.9	176.2	171.4	0	0	0	0	111.7	V36 T37 I43 T44 M84 V486 T489	V36-V40 WeakPolarHBondContact O-CG2 3.22Å; V36-V40 PolarHBondContact O-N 2.88Å; T37-V40 PolarHBondContact O-N 3.19Å; V40-I43 PolarHBondContact O-N 3.38Å; V40-T44 WeakPolarHBondContact O-CB 3.25Å; V40-T44 PolarHBondContact O-N 2.87Å; V40-T44 PolarHBondContact O-OG1 3.26Å; V40-M84 HydrophobicContact CG1-CE 4.21Å; V40-M84 HydrophobicContact CG1-SD 4.3Å; V40-V486 HydrophobicContact CG1-CG2 4.37Å; V40-T489 HydrophobicContact CG1-CG2 4.43Å
41	S	97.6	Very high	96	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.028	28%	0.282	C	S	.	.	H	α-helix	trans	-58.8	-50	172.6	171.6	0	0	0	0	111.1	T37 A38 I43 T44 I45 G80 N85	T37-S41 WeakPolarHBondContact O-CB 3.38Å; T37-S41 PolarHBondContact O-N 2.63Å; A38-S41 PolarHBondContact O-N 3.09Å; S41-I43 PolarHBondContact O-N 2.95Å; S41-T44 WeakPolarHBondContact O-CA 3.34Å; S41-T44 WeakPolarHBondContact O-CB 3.47Å; S41-T44 PolarHBondContact O-N 3.1Å; S41-I45 VanDerWaalsContact O-CG1 3.3Å; S41-I45 WeakPolarHBondContact O-CG1 3.46Å; S41-I45 PolarHBondContact O-N 3.1Å; S41-G80 PolarHBondContact OG-O 2.94Å; S41-N85 PolarHBondContact OG-ND2 3.03Å
42	L	97.5	Very high	96.1	Very high	106 Å²	106	44.1 Å²	44.1	56%	0.555	27%	0.271	S	S	*	.	H	α-helix	trans	-59.9	-43.2	179.5	-177.5	61.9	0	0	0	112.4	A38 V39 T44 I45 V46	A38-L42 VanDerWaalsContact O-CB 3.31Å; A38-L42 WeakPolarHBondContact O-CB 3.35Å; A38-L42 PolarHBondContact O-N 3.34Å; V39-L42 PolarHBondContact O-N 3.16Å; L42-T44 VanDerWaalsContact C-N 3.31Å; L42-T44 PolarHBondContact O-N 3.39Å; L42-I45 PolarHBondContact O-N 3.17Å; L42-V46 HydrophobicContact CD1-CG2 4.03Å; L42-V46 HydrophobicContact CG-CG2 4.44Å; L42-V46 WeakPolarHBondContact O-CB 3.28Å; L42-V46 VanDerWaalsContact O-CG2 3.28Å; L42-V46 WeakPolarHBondContact O-CG2 3.19Å; L42-V46 PolarHBondContact O-N 3.29Å
43	I	97	Very high	96	Very high	84 Å²	84	44.8 Å²	44.8	43%	0.431	27%	0.269	S	S	.	.	H	α-helix	trans	-62.7	-39.9	175.2	-68.1	165.4	0	0	0	110.8	V39 V40 S41 G47 T489	V39-I43 HydrophobicContact CG1-CD1 3.74Å; V39-I43 HydrophobicContact CG1-CG1 4.47Å; V39-I43 WeakPolarHBondContact O-CB 3.49Å; V39-I43 WeakPolarHBondContact O-CD1 3.35Å; V39-I43 VanDerWaalsContact O-CG1 3.23Å; V39-I43 WeakPolarHBondContact O-CG1 3.4Å; V39-I43 PolarHBondContact O-N 3.36Å; V40-I43 PolarHBondContact O-N 3.38Å; S41-I43 PolarHBondContact O-N 2.95Å; I43-G47 WeakPolarHBondContact O-CA 3.16Å; I43-G47 PolarHBondContact O-N 2.93Å; I43-T489 HydrophobicContact CB-CG2 4.22Å; I43-T489 HydrophobicContact CG2-CG2 3.68Å
44	T	96.9	Very high	96	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-46.8	178.2	-55.5	0	0	0	0	111.7	V40 S41 L42 N48 M84 T489	V40-T44 WeakPolarHBondContact O-CB 3.25Å; V40-T44 PolarHBondContact O-N 2.87Å; V40-T44 PolarHBondContact O-OG1 3.26Å; S41-T44 WeakPolarHBondContact O-CA 3.34Å; S41-T44 WeakPolarHBondContact O-CB 3.47Å; S41-T44 PolarHBondContact O-N 3.1Å; L42-T44 VanDerWaalsContact C-N 3.31Å; L42-T44 PolarHBondContact O-N 3.39Å; T44-N48 WeakPolarHBondContact O-CB 3.35Å; T44-N48 PolarHBondContact O-N 2.95Å; T44-N48 PolarHBondContact O-ND2 3.2Å; T44-M84 HydrophobicContact CG2-CE 3.99Å; T44-M84 HydrophobicContact CG2-SD 4.36Å; T44-M84 WeakPolarHBondContact OG1-CE 3.46Å; T44-T489 WeakPolarHBondContact OG1-CB 3.4Å; T44-T489 WeakPolarHBondContact OG1-CG2 3.28Å; T44-T489 PolarHBondContact OG1-OG1 3.33Å
45	I	97.8	Very high	95.8	Very high	44 Å²	44	41.5 Å²	41.5	23%	0.226	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-54.9	177.5	-66.1	166.2	0	0	0	109.9	S41 L42 G47 N48 V49 L77 I81	S41-I45 VanDerWaalsContact O-CG1 3.3Å; S41-I45 WeakPolarHBondContact O-CG1 3.46Å; S41-I45 PolarHBondContact O-N 3.1Å; L42-I45 PolarHBondContact O-N 3.17Å; I45-G47 VanDerWaalsContact C-N 3.34Å; I45-G47 PolarHBondContact O-N 2.99Å; I45-N48 PolarHBondContact O-N 2.95Å; I45-V49 HydrophobicContact CG2-CG2 4.39Å; I45-V49 VanDerWaalsContact O-CB 3.3Å; I45-V49 WeakPolarHBondContact O-CB 3.35Å; I45-V49 VanDerWaalsContact O-CG2 3.26Å; I45-V49 WeakPolarHBondContact O-CG2 3.49Å; I45-V49 PolarHBondContact O-N 3.23Å; I45-L77 HydrophobicContact CB-CD1 4.28Å; I45-L77 HydrophobicContact CG1-CD1 4.32Å; I45-L77 HydrophobicContact CG2-CD1 4.02Å; I45-I81 HydrophobicContact CD1-CG1 3.92Å; I45-I81 HydrophobicContact CG1-CG1 3.83Å
46	V	96.5	Very high	95.5	Very high	69 Å²	69	46.7 Å²	46.7	42%	0.418	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-41.9	-179	171.4	0	0	0	0	111.3	L42 L50	L42-V46 HydrophobicContact CD1-CG2 4.03Å; L42-V46 HydrophobicContact CG-CG2 4.44Å; L42-V46 WeakPolarHBondContact O-CB 3.28Å; L42-V46 VanDerWaalsContact O-CG2 3.28Å; L42-V46 WeakPolarHBondContact O-CG2 3.19Å; L42-V46 PolarHBondContact O-N 3.29Å; V46-L50 HydrophobicContact CG1-CD1 3.86Å; V46-L50 HydrophobicContact CG1-CG 4.44Å; V46-L50 WeakPolarHBondContact O-CB 3.21Å; V46-L50 WeakPolarHBondContact O-CG 3.47Å; V46-L50 PolarHBondContact O-N 3.17Å
47	G	95.8	Very high	95.2	Very high	12 Å²	12	44.8 Å²	44.8	12%	0.124	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-50	178.1	0	0	0	0	0	112.8	I43 I45 L50 V51	I43-G47 WeakPolarHBondContact O-CA 3.16Å; I43-G47 PolarHBondContact O-N 2.93Å; I45-G47 VanDerWaalsContact C-N 3.34Å; I45-G47 PolarHBondContact O-N 2.99Å; G47-L50 PolarHBondContact O-N 3.48Å; G47-V51 PolarHBondContact O-N 2.9Å; G47-V51 VanDerWaalsContact O-N 3.15Å
48	N	96.2	Very high	94.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-73.6	-37.8	-178.3	-73.8	-64.6	0	0	0	112.5	T44 I45 L50 V51 M52 A73 D76 L77 S488 P492	T44-N48 WeakPolarHBondContact O-CB 3.35Å; T44-N48 PolarHBondContact O-N 2.95Å; T44-N48 PolarHBondContact O-ND2 3.2Å; I45-N48 PolarHBondContact O-N 2.95Å; N48-L50 VanDerWaalsContact C-N 3.29Å; N48-L50 PolarHBondContact O-N 3.31Å; N48-V51 WeakPolarHBondContact O-CB 3.26Å; N48-V51 PolarHBondContact O-N 3.13Å; N48-V51 VanDerWaalsContact O-N 3.07Å; N48-M52 WeakPolarHBondContact O-CG 3.22Å; N48-M52 PolarHBondContact O-N 3.48Å; N48-A73 HydrophobicContact CB-CB 4.24Å; N48-A73 WeakPolarHBondContact OD1-CA 3.29Å; N48-D76 WeakPolarHBondContact ND2-CB 3.41Å; N48-L77 HydrophobicContact CB-CB 4.23Å; N48-S488 PolarHBondContact ND2-O 2.75Å; N48-S488 VanDerWaalsContact ND2-O 3.11Å; N48-P492 HydrophobicContact CB-CG 4.46Å; N48-P492 VanDerWaalsContact OD1-CG 3.28Å; N48-P492 WeakPolarHBondContact OD1-CG 3.41Å
49	V	96.5	Very high	94.3	Very high	52 Å²	52	47 Å²	47	32%	0.315	26%	0.259	S	S	.	.	H	α-helix	trans	-59.2	-39.2	169.8	169.3	0	0	0	0	111.3	I45 V51 M52 I53 L77	I45-V49 HydrophobicContact CG2-CG2 4.39Å; I45-V49 VanDerWaalsContact O-CB 3.3Å; I45-V49 WeakPolarHBondContact O-CB 3.35Å; I45-V49 VanDerWaalsContact O-CG2 3.26Å; I45-V49 WeakPolarHBondContact O-CG2 3.49Å; I45-V49 PolarHBondContact O-N 3.23Å; V49-V51 VanDerWaalsContact C-N 3.35Å; V49-V51 PolarHBondContact O-N 3.01Å; V49-M52 PolarHBondContact O-N 3.16Å; V49-I53 HydrophobicContact CG1-CD1 3.59Å; V49-I53 HydrophobicContact CG1-CG1 4.18Å; V49-I53 WeakPolarHBondContact O-CB 3.46Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.43Å; V49-I53 PolarHBondContact O-N 2.99Å; V49-L77 HydrophobicContact CG2-CD1 3.95Å; V49-L77 HydrophobicContact CG2-CD2 4.19Å
50	L	94.4	Very high	93.8	Very high	25 Å²	25	49.8 Å²	49.8	13%	0.131	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-33	174	-77.3	168.3	0	0	0	113.2	V46 G47 N48 S54 F506 L509 L510	V46-L50 HydrophobicContact CG1-CD1 3.86Å; V46-L50 HydrophobicContact CG1-CG 4.44Å; V46-L50 WeakPolarHBondContact O-CB 3.21Å; V46-L50 WeakPolarHBondContact O-CG 3.47Å; V46-L50 PolarHBondContact O-N 3.17Å; G47-L50 PolarHBondContact O-N 3.48Å; N48-L50 VanDerWaalsContact C-N 3.29Å; N48-L50 PolarHBondContact O-N 3.31Å; L50-S54 WeakPolarHBondContact O-CB 3.33Å; L50-S54 PolarHBondContact O-N 2.78Å; L50-S54 PolarHBondContact O-OG 2.86Å; L50-F506 HydrophobicContact CB-CE1 4.2Å; L50-F506 HydrophobicContact CB-CZ 4.29Å; L50-L509 HydrophobicContact CD2-CB 4.14Å; L50-L509 HydrophobicContact CD2-CD1 4.18Å; L50-L510 HydrophobicContact CD1-CD2 3.95Å; L50-L510 HydrophobicContact CD1-CG 4.36Å
51	V	94.2	Very high	93.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-51	170.6	177.5	0	0	0	0	110.2	G47 N48 V49 S54 F55 A73 P492 Y495 F502 F506	G47-V51 PolarHBondContact O-N 2.9Å; G47-V51 VanDerWaalsContact O-N 3.15Å; N48-V51 WeakPolarHBondContact O-CB 3.26Å; N48-V51 PolarHBondContact O-N 3.13Å; N48-V51 VanDerWaalsContact O-N 3.07Å; V49-V51 VanDerWaalsContact C-N 3.35Å; V49-V51 PolarHBondContact O-N 3.01Å; V51-S54 PolarHBondContact O-N 2.87Å; V51-F55 PolarHBondContact O-N 3.17Å; V51-A73 HydrophobicContact CB-CB 3.97Å; V51-A73 HydrophobicContact CG1-CB 3.84Å; V51-P492 HydrophobicContact CG2-CB 4.16Å; V51-P492 HydrophobicContact CG2-CG 4.32Å; V51-Y495 HydrophobicContact CG1-CD2 4.38Å; V51-Y495 HydrophobicContact CG1-CE2 4.47Å; V51-Y495 HydrophobicContact CG2-CD2 3.82Å; V51-Y495 HydrophobicContact CG2-CE2 4.31Å; V51-F502 HydrophobicContact CG1-CE1 4.16Å; V51-F502 HydrophobicContact CG1-CZ 4.46Å; V51-F506 HydrophobicContact CG2-CE1 4.5Å; V51-F506 HydrophobicContact CG2-CZ 3.84Å
52	M	94.8	Very high	92.8	Very high	60 Å²	60	53.3 Å²	53.3	30%	0.296	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-47.8	-179	-63	174.8	82.3	0	0	112.1	N48 V49 S54 F55 K56 L70 A73 L77	N48-M52 WeakPolarHBondContact O-CG 3.22Å; N48-M52 PolarHBondContact O-N 3.48Å; V49-M52 PolarHBondContact O-N 3.16Å; M52-S54 PolarHBondContact O-N 3.27Å; M52-F55 PolarHBondContact O-N 3.26Å; M52-K56 PolarHBondContact O-N 3.37Å; M52-L70 HydrophobicContact CB-CD1 4.14Å; M52-L70 HydrophobicContact CG-CD1 3.86Å; M52-A73 HydrophobicContact CG-CB 4.35Å; M52-L77 HydrophobicContact SD-CD2 3.75Å
53	I	93.5	Very high	92.4	Very high	70 Å²	70	50.8 Å²	50.8	36%	0.359	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-45.5	176.3	-67.5	172.6	0	0	0	110.1	V49 F55 K56 V57 L509	V49-I53 HydrophobicContact CG1-CD1 3.59Å; V49-I53 HydrophobicContact CG1-CG1 4.18Å; V49-I53 WeakPolarHBondContact O-CB 3.46Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.43Å; V49-I53 PolarHBondContact O-N 2.99Å; I53-F55 VanDerWaalsContact C-N 3.29Å; I53-F55 PolarHBondContact O-N 3.4Å; I53-K56 PolarHBondContact O-N 3.48Å; I53-V57 HydrophobicContact CG2-CG2 3.9Å; I53-V57 WeakPolarHBondContact O-CB 3.37Å; I53-V57 VanDerWaalsContact O-CG2 3.25Å; I53-V57 WeakPolarHBondContact O-CG2 3.45Å; I53-V57 PolarHBondContact O-N 2.71Å; I53-L509 HydrophobicContact CB-CD1 4.41Å; I53-L509 HydrophobicContact CG2-CD1 3.79Å; I53-L509 HydrophobicContact CG2-CD2 3.97Å
54	S	92	Very high	92	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.9	-41.6	178.6	-66.7	0	0	0	0	112.4	L50 V51 M52 N58 T505 F506 L509	L50-S54 WeakPolarHBondContact O-CB 3.33Å; L50-S54 PolarHBondContact O-N 2.78Å; L50-S54 PolarHBondContact O-OG 2.86Å; V51-S54 PolarHBondContact O-N 2.87Å; M52-S54 PolarHBondContact O-N 3.27Å; S54-N58 WeakPolarHBondContact O-CB 3.29Å; S54-N58 PolarHBondContact O-N 3.04Å; S54-T505 WeakPolarHBondContact OG-CG2 3.38Å; S54-F506 VanDerWaalsContact OG-CD1 3.26Å; S54-F506 WeakPolarHBondContact OG-CD1 3.5Å; S54-F506 VanDerWaalsContact OG-CE1 3.31Å; S54-F506 WeakPolarHBondContact OG-CE1 3.38Å; S54-L509 WeakPolarHBondContact OG-CD1 3.48Å
55	F	91.6	Very high	91.4	Very high	17 Å²	17	49.3 Å²	49.3	8%	0.075	26%	0.261	C	S	.	.	H	α-helix	trans	-68.4	-42.7	176.5	-175	-87.5	0	0	0	112.5	V51 M52 I53 V57 L61 K62 N66 Y67 L70	V51-F55 PolarHBondContact O-N 3.17Å; M52-F55 PolarHBondContact O-N 3.26Å; I53-F55 VanDerWaalsContact C-N 3.29Å; I53-F55 PolarHBondContact O-N 3.4Å; F55-V57 VanDerWaalsContact C-N 3.35Å; F55-V57 PolarHBondContact O-N 2.94Å; F55-L61 WeakPolarHBondContact CD2-O 3.48Å; F55-L61 WeakPolarHBondContact CE2-O 2.99Å; F55-K62 HydrophobicContact CE1-CG 4.36Å; F55-K62 HydrophobicContact CZ-CB 4.48Å; F55-K62 HydrophobicContact CZ-CG 4.28Å; F55-K62 WeakPolarHBondContact O-CE 3.45Å; F55-N66 HydrophobicContact CD2-CB 3.98Å; F55-N66 HydrophobicContact CE2-CB 3.87Å; F55-Y67 HydrophobicContact CE1-CE1 4.36Å; F55-Y67 HydrophobicContact CE2-CD2 4.27Å; F55-Y67 HydrophobicContact CE2-CE2 4.39Å; F55-Y67 HydrophobicContact CZ-CD1 4.12Å; F55-Y67 AromaticContact CZ-CD2 3.91Å; F55-Y67 HydrophobicContact CZ-CD2 3.91Å; F55-Y67 AromaticContact CZ-CE1 3.93Å; F55-Y67 HydrophobicContact CZ-CE1 3.93Å; F55-Y67 AromaticContact CZ-CE2 3.73Å; F55-Y67 HydrophobicContact CZ-CE2 3.73Å; F55-Y67 HydrophobicContact CZ-CG 4.12Å; F55-Y67 AromaticContact CZ-CZ 3.74Å; F55-L70 HydrophobicContact CB-CD1 4.29Å; F55-L70 HydrophobicContact CD1-CD1 4.41Å; F55-L70 HydrophobicContact CD1-CD2 3.78Å; F55-L70 HydrophobicContact CE1-CD2 3.82Å; F55-L70 HydrophobicContact CG-CD1 4.41Å; F55-L70 HydrophobicContact CG-CD2 4.34Å; F55-L70 HydrophobicContact CZ-CD2 4.41Å
56	K	90.8	Very high	91.1	Very high	166 Å²	166	47.6 Å²	47.6	72%	0.722	25%	0.253	S	S	*	.	H	α-helix	trans	-61.1	-44	177.2	-172.6	170.9	-176.8	172.9	0	111.5	M52 I53 K62	M52-K56 PolarHBondContact O-N 3.37Å; I53-K56 PolarHBondContact O-N 3.48Å; K56-K62 WeakPolarHBondContact O-CE 3.44Å; K56-K62 PolarHBondContact O-NZ 3.06Å
57	V	88.9	Confident	90.9	Very high	55 Å²	55	48.2 Å²	48.2	33%	0.333	25%	0.248	S	C	.	.	H	α-helix	trans	-86.6	-38.9	-168.6	171.5	0	0	0	0	113.8	I53 F55 W514	I53-V57 HydrophobicContact CG2-CG2 3.9Å; I53-V57 WeakPolarHBondContact O-CB 3.37Å; I53-V57 VanDerWaalsContact O-CG2 3.25Å; I53-V57 WeakPolarHBondContact O-CG2 3.45Å; I53-V57 PolarHBondContact O-N 2.71Å; F55-V57 VanDerWaalsContact C-N 3.35Å; F55-V57 PolarHBondContact O-N 2.94Å; V57-W514 HydrophobicContact CG1-CD2 3.43Å; V57-W514 VanDerWaalsContact CG1-CD2 3.43Å; V57-W514 HydrophobicContact CG1-CE3 3.79Å; V57-W514 HydrophobicContact CG1-CG 4.06Å; V57-W514 HydrophobicContact CG1-CH2 3.82Å; V57-W514 HydrophobicContact CG1-CZ2 3.44Å; V57-W514 VanDerWaalsContact CG1-CZ2 3.44Å; V57-W514 HydrophobicContact CG1-CZ3 3.96Å
58	N	87.5	Confident	90.7	Very high	14 Å²	14	47.7 Å²	47.7	8%	0.075	24%	0.243	C	C	.	.			trans	-101.1	109.4	-176.5	-173.2	-9.1	0	0	0	112	S54 Q60 L61 T505 W514	S54-N58 WeakPolarHBondContact O-CB 3.29Å; S54-N58 PolarHBondContact O-N 3.04Å; N58-Q60 PolarHBondContact O-N 3.39Å; N58-Q60 VanDerWaalsContact OD1-CB 3.32Å; N58-Q60 WeakPolarHBondContact OD1-CB 3.44Å; N58-Q60 PolarHBondContact OD1-N 3.31Å; N58-L61 HydrophobicContact CB-CB 4.43Å; N58-L61 HydrophobicContact CB-CD1 4.05Å; N58-L61 HydrophobicContact CB-CG 4.17Å; N58-L61 WeakPolarHBondContact O-CB 3.16Å; N58-L61 PolarHBondContact O-N 3.04Å; N58-T505 HydrophobicContact CB-CG2 4.17Å; N58-T505 PolarHBondContact ND2-OG1 3.44Å; N58-W514 HydrophobicContact CB-CH2 3.86Å; N58-W514 HydrophobicContact CB-CZ3 4.21Å
59	S	87.1	Confident	90.5	Very high	92 Å²	92	48.4 Å²	48.4	64%	0.643	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-57.7	-32.4	177.1	53.5	0	0	0	0	113.5	L61 K62	S59-L61 PolarHBondContact O-N 3.49Å; S59-L61 VanDerWaalsContact O-N 3.16Å; S59-K62 WeakPolarHBondContact O-CB 3.39Å; S59-K62 PolarHBondContact O-N 3.12Å
60	Q	85.3	Confident	90.3	Very high	143 Å²	143	47.8 Å²	47.8	67%	0.668	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-66.7	-14.7	177	-55.2	-178	-2.3	0	0	113.1	N58 T501	N58-Q60 PolarHBondContact O-N 3.39Å; N58-Q60 VanDerWaalsContact OD1-CB 3.32Å; N58-Q60 WeakPolarHBondContact OD1-CB 3.44Å; N58-Q60 PolarHBondContact OD1-N 3.31Å; Q60-T501 HydrophobicContact CB-CG2 4.34Å
61	L	85.3	Confident	90.4	Very high	2 Å²	2	47 Å²	47	1%	0.01	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-93.1	-6.5	173.7	-66.6	178.1	0	0	0	113.2	F55 N58 S59 T63 N66 T501 F502 T505	F55-L61 WeakPolarHBondContact CD2-O 3.48Å; F55-L61 WeakPolarHBondContact CE2-O 2.99Å; N58-L61 HydrophobicContact CB-CB 4.43Å; N58-L61 HydrophobicContact CB-CD1 4.05Å; N58-L61 HydrophobicContact CB-CG 4.17Å; N58-L61 WeakPolarHBondContact O-CB 3.16Å; N58-L61 PolarHBondContact O-N 3.04Å; S59-L61 PolarHBondContact O-N 3.49Å; S59-L61 VanDerWaalsContact O-N 3.16Å; L61-T63 PolarHBondContact O-N 3.33Å; L61-N66 VanDerWaalsContact O-CB 3.31Å; L61-N66 WeakPolarHBondContact O-CB 3.31Å; L61-N66 PolarHBondContact O-ND2 2.97Å; L61-T501 HydrophobicContact CD2-CG2 3.59Å; L61-T501 HydrophobicContact CG-CG2 3.98Å; L61-F502 HydrophobicContact CD1-CD1 3.71Å; L61-F502 HydrophobicContact CD1-CE1 3.76Å; L61-F502 HydrophobicContact CD1-CG 4.12Å; L61-F502 HydrophobicContact CD1-CZ 4.2Å; L61-F502 HydrophobicContact CD2-CD1 4.49Å; L61-F502 HydrophobicContact CD2-CD2 3.87Å; L61-F502 HydrophobicContact CD2-CE2 3.93Å; L61-F502 HydrophobicContact CD2-CG 4.16Å; L61-F502 HydrophobicContact CD2-CZ 4.28Å; L61-T505 HydrophobicContact CD1-CG2 4.42Å
62	K	88.6	Confident	90.4	Very high	107 Å²	107	47 Å²	47	47%	0.465	24%	0.238	S	C	.	.			trans	-80.4	52.8	179.5	-61	-175.3	-178.5	179.3	0	112.3	F55 K56 S59	F55-K62 HydrophobicContact CE1-CG 4.36Å; F55-K62 HydrophobicContact CZ-CB 4.48Å; F55-K62 HydrophobicContact CZ-CG 4.28Å; F55-K62 WeakPolarHBondContact O-CE 3.45Å; K56-K62 WeakPolarHBondContact O-CE 3.44Å; K56-K62 PolarHBondContact O-NZ 3.06Å; S59-K62 WeakPolarHBondContact O-CB 3.39Å; S59-K62 PolarHBondContact O-N 3.12Å
63	T	89.3	Confident	90.4	Very high	53 Å²	53	44.1 Å²	44.1	33%	0.325	22%	0.224	S	C	.	.	S	Bend	trans	-101.4	151.3	176.6	78.5	0	0	0	0	110.7	L61 N65 N66	L61-T63 PolarHBondContact O-N 3.33Å; T63-N65 PolarHBondContact O-N 2.89Å; T63-N65 VanDerWaalsContact O-N 3.13Å; T63-N66 WeakPolarHBondContact O-CB 3.41Å; T63-N66 PolarHBondContact O-N 3.35Å; T63-N66 PolarHBondContact OG1-ND2 3.28Å
64	V	88.8	Confident	90.6	Very high	22 Å²	22	43 Å²	43	13%	0.133	22%	0.221	C	C	.	.	H	α-helix	trans	-54.2	-38	-176.6	-171.3	0	0	0	0	112.8	N66 Y67 R142 A147	V64-N66 PolarHBondContact O-N 2.95Å; V64-N66 VanDerWaalsContact O-N 3.13Å; V64-Y67 PolarHBondContact O-N 3.5Å; V64-R142 HydrophobicContact CB-CG 4.46Å; V64-R142 HydrophobicContact CG1-CG 3.95Å; V64-A147 HydrophobicContact CG1-CB 3.48Å; V64-A147 VanDerWaalsContact CG1-CB 3.48Å
65	N	85.5	Confident	90.8	Very high	31 Å²	31	43 Å²	43	17%	0.166	22%	0.221	C	C	.	.	H	α-helix	trans	-53.3	-35.6	175.4	-53.9	-54.9	0	0	0	113.2	T63 R128 R142	T63-N65 PolarHBondContact O-N 2.89Å; T63-N65 VanDerWaalsContact O-N 3.13Å; N65-R128 PolarHBondContact OD1-NH1 2.79Å; N65-R142 VanDerWaalsContact OD1-CZ 3.31Å; N65-R142 PolarHBondContact OD1-NH1 2.84Å; N65-R142 PolarHBondContact OD1-NH2 3.04Å
66	N	89.9	Confident	91.1	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.048	22%	0.217	C	C	.	.	H	α-helix	trans	-89.9	-9.4	-169	-62.5	-7.2	0	0	0	112.3	F55 L61 T63 V64 Y68 L69 L70	F55-N66 HydrophobicContact CD2-CB 3.98Å; F55-N66 HydrophobicContact CE2-CB 3.87Å; L61-N66 VanDerWaalsContact O-CB 3.31Å; L61-N66 WeakPolarHBondContact O-CB 3.31Å; L61-N66 PolarHBondContact O-ND2 2.97Å; T63-N66 WeakPolarHBondContact O-CB 3.41Å; T63-N66 PolarHBondContact O-N 3.35Å; T63-N66 PolarHBondContact OG1-ND2 3.28Å; V64-N66 PolarHBondContact O-N 2.95Å; V64-N66 VanDerWaalsContact O-N 3.13Å; N66-Y68 VanDerWaalsContact C-N 3.34Å; N66-L69 PolarHBondContact O-N 2.94Å; N66-L70 WeakPolarHBondContact O-CB 3.47Å; N66-L70 PolarHBondContact O-N 3.06Å
67	Y	93	Very high	91.4	Very high	82 Å²	82	35.5 Å²	35.5	32%	0.322	19%	0.19	S	C	.	.	H	α-helix	trans	-67.1	-37.4	168.1	-79	-95.2	0	0	0	111	F55 V64 L70 S71 P144	F55-Y67 HydrophobicContact CE1-CE1 4.36Å; F55-Y67 HydrophobicContact CE2-CD2 4.27Å; F55-Y67 HydrophobicContact CE2-CE2 4.39Å; F55-Y67 HydrophobicContact CZ-CD1 4.12Å; F55-Y67 AromaticContact CZ-CD2 3.91Å; F55-Y67 HydrophobicContact CZ-CD2 3.91Å; F55-Y67 AromaticContact CZ-CE1 3.93Å; F55-Y67 HydrophobicContact CZ-CE1 3.93Å; F55-Y67 AromaticContact CZ-CE2 3.73Å; F55-Y67 HydrophobicContact CZ-CE2 3.73Å; F55-Y67 HydrophobicContact CZ-CG 4.12Å; F55-Y67 AromaticContact CZ-CZ 3.74Å; V64-Y67 PolarHBondContact O-N 3.5Å; Y67-L70 WeakPolarHBondContact O-CB 3.5Å; Y67-L70 PolarHBondContact O-N 2.67Å; Y67-S71 PolarHBondContact O-N 2.86Å; Y67-P144 HydrophobicContact CE2-CB 4Å
68	Y	91.9	Very high	91.8	Very high	1 Å²	1	35 Å²	35	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-65.2	-40.3	172.8	-52	-63.9	0	0	0	111.8	N66 L70 S71 L72 V123 I124 D127 A147 M150 I151	N66-Y68 VanDerWaalsContact C-N 3.34Å; Y68-L70 VanDerWaalsContact C-N 3.3Å; Y68-L70 PolarHBondContact O-N 3.28Å; Y68-S71 PolarHBondContact O-N 2.97Å; Y68-L72 PolarHBondContact O-N 3.2Å; Y68-V123 HydrophobicContact CD1-CG1 3.6Å; Y68-V123 HydrophobicContact CE1-CG1 3.39Å; Y68-V123 HydrophobicContact CG-CG1 4.47Å; Y68-I124 VanDerWaalsContact CB-CG1 3.46Å; Y68-I124 HydrophobicContact CD2-CG1 4.39Å; Y68-I124 HydrophobicContact CG-CG1 4.07Å; Y68-D127 HydrophobicContact CE2-CB 3.83Å; Y68-A147 HydrophobicContact CE1-CB 3.8Å; Y68-A147 HydrophobicContact CE2-CB 4.3Å; Y68-A147 WeakPolarHBondContact OH-CB 3.22Å; Y68-M150 HydrophobicContact CE1-CB 4.32Å; Y68-I151 HydrophobicContact CD1-CD1 3.78Å; Y68-I151 HydrophobicContact CD1-CG1 3.61Å; Y68-I151 HydrophobicContact CE1-CD1 4.28Å; Y68-I151 HydrophobicContact CE1-CG1 4.04Å
69	L	90.7	Very high	92.3	Very high	14 Å²	14	34.4 Å²	34.4	7%	0.073	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-31.9	175.8	-49.8	-175.2	0	0	0	112.3	N66 A73 I124 Y495 F502	N66-L69 PolarHBondContact O-N 2.94Å; L69-A73 WeakPolarHBondContact O-CB 3.48Å; L69-A73 PolarHBondContact O-N 3.32Å; L69-I124 HydrophobicContact CD2-CD1 3.89Å; L69-Y495 HydrophobicContact CB-CE2 4.12Å; L69-Y495 HydrophobicContact CD1-CD1 4.42Å; L69-Y495 HydrophobicContact CD1-CE1 4.37Å; L69-Y495 HydrophobicContact CD2-CE1 3.78Å; L69-Y495 HydrophobicContact CG-CE1 4.48Å; L69-F502 HydrophobicContact CD1-CE2 4.13Å
70	L	94	Very high	92.7	Very high	39 Å²	39	30 Å²	30	20%	0.204	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-41.4	172.3	-177.4	69.2	0	0	0	111.3	M52 F55 N66 Y67 Y68 A73 C74	M52-L70 HydrophobicContact CB-CD1 4.14Å; M52-L70 HydrophobicContact CG-CD1 3.86Å; F55-L70 HydrophobicContact CB-CD1 4.29Å; F55-L70 HydrophobicContact CD1-CD1 4.41Å; F55-L70 HydrophobicContact CD1-CD2 3.78Å; F55-L70 HydrophobicContact CE1-CD2 3.82Å; F55-L70 HydrophobicContact CG-CD1 4.41Å; F55-L70 HydrophobicContact CG-CD2 4.34Å; F55-L70 HydrophobicContact CZ-CD2 4.41Å; N66-L70 WeakPolarHBondContact O-CB 3.47Å; N66-L70 PolarHBondContact O-N 3.06Å; Y67-L70 WeakPolarHBondContact O-CB 3.5Å; Y67-L70 PolarHBondContact O-N 2.67Å; Y68-L70 VanDerWaalsContact C-N 3.3Å; Y68-L70 PolarHBondContact O-N 3.28Å; L70-A73 PolarHBondContact O-N 2.97Å; L70-C74 PolarHBondContact O-N 2.87Å; L70-C74 PolarHBondContact O-SG 3.46Å
71	S	95.8	Very high	93.3	Very high	10 Å²	10	26.4 Å²	26.4	7%	0.07	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-41.6	176	177	0	0	0	0	112.3	Y67 Y68 A73 C74 A75 N120 I151 W155	Y67-S71 PolarHBondContact O-N 2.86Å; Y68-S71 PolarHBondContact O-N 2.97Å; S71-A73 VanDerWaalsContact C-N 3.34Å; S71-A73 PolarHBondContact O-N 3.32Å; S71-C74 WeakPolarHBondContact O-CB 3.33Å; S71-C74 PolarHBondContact O-N 3.23Å; S71-C74 VanDerWaalsContact O-N 3.13Å; S71-A75 PolarHBondContact O-N 3.08Å; S71-A75 VanDerWaalsContact O-N 3.15Å; S71-N120 VanDerWaalsContact CB-OD1 3.3Å; S71-N120 WeakPolarHBondContact CB-OD1 3.45Å; S71-N120 PolarHBondContact OG-ND2 3.37Å; S71-N120 PolarHBondContact OG-OD1 3.44Å; S71-I151 VanDerWaalsContact OG-CG2 3.29Å; S71-I151 WeakPolarHBondContact OG-CG2 3.39Å; S71-W155 PolarHBondContact OG-NE1 3.03Å
72	L	93.5	Very high	93.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-45.3	172.7	-153.3	80.3	0	0	0	110.9	Y68 C74 A75 D76 S117 N120 L121 N491 Y495	Y68-L72 PolarHBondContact O-N 3.2Å; L72-C74 PolarHBondContact O-N 3.49Å; L72-A75 PolarHBondContact O-N 3.47Å; L72-A75 VanDerWaalsContact O-N 3.09Å; L72-D76 WeakPolarHBondContact O-CB 3.31Å; L72-D76 VanDerWaalsContact O-CG 3.3Å; L72-D76 PolarHBondContact O-N 2.73Å; L72-S117 VanDerWaalsContact CD1-O 3.27Å; L72-S117 WeakPolarHBondContact CD1-O 3.43Å; L72-S117 VanDerWaalsContact CD1-OG 3.28Å; L72-S117 WeakPolarHBondContact CD1-OG 3.4Å; L72-N120 HydrophobicContact CD1-CB 3.59Å; L72-L121 HydrophobicContact CD1-CD2 4.3Å; L72-L121 HydrophobicContact CD1-CG 4.07Å; L72-L121 HydrophobicContact CD2-CD2 3.86Å; L72-L121 HydrophobicContact CD2-CG 4.41Å; L72-N491 HydrophobicContact CD2-CB 4.22Å; L72-N491 WeakPolarHBondContact CD2-ND2 3.38Å; L72-Y495 WeakPolarHBondContact CD2-OH 3.42Å
73	A	95.8	Very high	94.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-25.5	175.9	0	0	0	0	0	113.8	N48 V51 M52 L69 L70 S71 L77	N48-A73 HydrophobicContact CB-CB 4.24Å; N48-A73 WeakPolarHBondContact OD1-CA 3.29Å; V51-A73 HydrophobicContact CB-CB 3.97Å; V51-A73 HydrophobicContact CG1-CB 3.84Å; M52-A73 HydrophobicContact CG-CB 4.35Å; L69-A73 WeakPolarHBondContact O-CB 3.48Å; L69-A73 PolarHBondContact O-N 3.32Å; L70-A73 PolarHBondContact O-N 2.97Å; S71-A73 VanDerWaalsContact C-N 3.34Å; S71-A73 PolarHBondContact O-N 3.32Å; A73-L77 WeakPolarHBondContact O-CB 3.48Å; A73-L77 PolarHBondContact O-N 3.11Å; A73-L77 VanDerWaalsContact O-N 3.11Å
74	C	96.9	Very high	94.6	Very high	45 Å²	45	23.3 Å²	23.3	30%	0.304	12%	0.117	S	C	.	.	H	α-helix	trans	-72.4	-43.4	170.9	-66.4	0	0	0	0	112.2	L70 S71 L72 L77 I78	L70-C74 PolarHBondContact O-N 2.87Å; L70-C74 PolarHBondContact O-SG 3.46Å; S71-C74 WeakPolarHBondContact O-CB 3.33Å; S71-C74 PolarHBondContact O-N 3.23Å; S71-C74 VanDerWaalsContact O-N 3.13Å; L72-C74 PolarHBondContact O-N 3.49Å; C74-L77 PolarHBondContact O-N 3.41Å; C74-I78 WeakPolarHBondContact O-CG1 3.41Å; C74-I78 PolarHBondContact O-N 3.27Å; C74-I78 VanDerWaalsContact O-N 3.16Å
75	A	96.9	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.1	-48	176.2	0	0	0	0	0	111.6	S71 L72 L77 I78 I79 S117 W155	S71-A75 PolarHBondContact O-N 3.08Å; S71-A75 VanDerWaalsContact O-N 3.15Å; L72-A75 PolarHBondContact O-N 3.47Å; L72-A75 VanDerWaalsContact O-N 3.09Å; A75-L77 PolarHBondContact O-N 2.91Å; A75-I78 WeakPolarHBondContact O-CB 3.39Å; A75-I78 PolarHBondContact O-N 3.16Å; A75-I78 VanDerWaalsContact O-N 3.08Å; A75-I79 WeakPolarHBondContact O-CG1 3.5Å; A75-I79 PolarHBondContact O-N 3.45Å; A75-S117 WeakPolarHBondContact CB-OG 3.47Å; A75-W155 HydrophobicContact CB-CH2 3.81Å; A75-W155 HydrophobicContact CB-CZ2 3.75Å
76	D	96.8	Very high	95.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-28.1	178.2	-69	-19.7	0	0	0	112.5	N48 L72 G80 S117 S488 N491	N48-D76 WeakPolarHBondContact ND2-CB 3.41Å; L72-D76 WeakPolarHBondContact O-CB 3.31Å; L72-D76 VanDerWaalsContact O-CG 3.3Å; L72-D76 PolarHBondContact O-N 2.73Å; D76-G80 PolarHBondContact O-N 3.35Å; D76-S117 PolarHBondContact OD1-OG 3.12Å; D76-S488 VanDerWaalsContact OD1-CB 3.3Å; D76-S488 WeakPolarHBondContact OD1-CB 3.49Å; D76-S488 PolarHBondContact OD1-OG 2.94Å; D76-N491 WeakPolarHBondContact OD2-CB 3.38Å; D76-N491 PolarHBondContact OD2-ND2 2.99Å
77	L	97.3	Very high	95.7	Very high	27 Å²	27	25.9 Å²	25.9	14%	0.141	13%	0.13	C	C	.	.	H	α-helix	trans	-73.7	-37	172.2	-177	62.8	0	0	0	112.6	I45 N48 V49 M52 A73 C74 A75 G80 I81	I45-L77 HydrophobicContact CB-CD1 4.28Å; I45-L77 HydrophobicContact CG1-CD1 4.32Å; I45-L77 HydrophobicContact CG2-CD1 4.02Å; N48-L77 HydrophobicContact CB-CB 4.23Å; V49-L77 HydrophobicContact CG2-CD1 3.95Å; V49-L77 HydrophobicContact CG2-CD2 4.19Å; M52-L77 HydrophobicContact SD-CD2 3.75Å; A73-L77 WeakPolarHBondContact O-CB 3.48Å; A73-L77 PolarHBondContact O-N 3.11Å; A73-L77 VanDerWaalsContact O-N 3.11Å; C74-L77 PolarHBondContact O-N 3.41Å; A75-L77 PolarHBondContact O-N 2.91Å; L77-G80 PolarHBondContact O-N 3.12Å; L77-I81 HydrophobicContact CD1-CD1 3.77Å; L77-I81 HydrophobicContact CD1-CG1 4.02Å; L77-I81 HydrophobicContact CG-CD1 3.84Å; L77-I81 HydrophobicContact CG-CG1 4.4Å; L77-I81 WeakPolarHBondContact O-CB 3.28Å; L77-I81 VanDerWaalsContact O-CG1 3.3Å; L77-I81 WeakPolarHBondContact O-CG1 3.34Å; L77-I81 PolarHBondContact O-N 2.96Å
78	I	97.8	Very high	95.8	Very high	44 Å²	44	22.6 Å²	22.6	23%	0.226	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-46.8	173.8	-71.4	165.5	0	0	0	110	C74 A75 G80 I81 F82 L109 A113 W155	C74-I78 WeakPolarHBondContact O-CG1 3.41Å; C74-I78 PolarHBondContact O-N 3.27Å; C74-I78 VanDerWaalsContact O-N 3.16Å; A75-I78 WeakPolarHBondContact O-CB 3.39Å; A75-I78 PolarHBondContact O-N 3.16Å; A75-I78 VanDerWaalsContact O-N 3.08Å; I78-G80 VanDerWaalsContact C-N 3.33Å; I78-G80 PolarHBondContact O-N 3.38Å; I78-I81 PolarHBondContact O-N 3.25Å; I78-F82 HydrophobicContact CG2-CD2 4.2Å; I78-F82 PolarHBondContact O-N 2.9Å; I78-L109 HydrophobicContact CG2-CD1 3.73Å; I78-L109 HydrophobicContact CG2-CD2 4.16Å; I78-L109 HydrophobicContact CG2-CG 3.85Å; I78-A113 HydrophobicContact CB-CB 4.26Å; I78-A113 HydrophobicContact CG2-CB 3.82Å; I78-W155 HydrophobicContact CD1-CH2 4.04Å; I78-W155 HydrophobicContact CD1-CZ3 4.46Å
79	I	97.3	Very high	95.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.135	C	C	.	.	I	π-helix	trans	-60.4	-44	175.8	-65.5	165.6	0	0	0	110.7	A75 S83 M84 A113 Y485	A75-I79 WeakPolarHBondContact O-CG1 3.5Å; A75-I79 PolarHBondContact O-N 3.45Å; I79-S83 WeakPolarHBondContact O-CB 3.46Å; I79-S83 PolarHBondContact O-N 3.37Å; I79-M84 HydrophobicContact CG2-CE 4.48Å; I79-M84 WeakPolarHBondContact O-CG 3.37Å; I79-M84 PolarHBondContact O-N 3.14Å; I79-A113 HydrophobicContact CD1-CB 4.41Å; I79-A113 HydrophobicContact CG1-CB 4.02Å; I79-Y485 HydrophobicContact CG2-CD1 3.65Å; I79-Y485 HydrophobicContact CG2-CE1 4.23Å; I79-Y485 HydrophobicContact CG2-CG 4.21Å
80	G	97.1	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	I	π-helix	trans	-65.4	-37.4	179.2	0	0	0	0	0	114.8	S41 D76 L77 I78 N85	S41-G80 PolarHBondContact OG-O 2.94Å; D76-G80 PolarHBondContact O-N 3.35Å; L77-G80 PolarHBondContact O-N 3.12Å; I78-G80 VanDerWaalsContact C-N 3.33Å; I78-G80 PolarHBondContact O-N 3.38Å; G80-N85 PolarHBondContact O-ND2 2.76Å
81	I	96.9	Very high	95.9	Very high	67 Å²	67	25.5 Å²	25.5	34%	0.344	13%	0.133	S	C	.	.	I	π-helix	trans	-81.3	-51.2	179.9	-67.1	174.3	0	0	0	111.5	I45 L77 I78 N85	I45-I81 HydrophobicContact CD1-CG1 3.92Å; I45-I81 HydrophobicContact CG1-CG1 3.83Å; L77-I81 HydrophobicContact CD1-CD1 3.77Å; L77-I81 HydrophobicContact CD1-CG1 4.02Å; L77-I81 HydrophobicContact CG-CD1 3.84Å; L77-I81 HydrophobicContact CG-CG1 4.4Å; L77-I81 WeakPolarHBondContact O-CB 3.28Å; L77-I81 VanDerWaalsContact O-CG1 3.3Å; L77-I81 WeakPolarHBondContact O-CG1 3.34Å; L77-I81 PolarHBondContact O-N 2.96Å; I78-I81 PolarHBondContact O-N 3.25Å; I81-N85 PolarHBondContact O-ND2 3.45Å
82	F	96.9	Very high	95.7	Very high	97 Å²	97	27.2 Å²	27.2	43%	0.425	14%	0.141	S	C	.	.	I	π-helix	trans	-97.8	-63.4	-169.5	-60.3	-76.1	0	0	0	111.7	I78 M84 N85 L86 L109	I78-F82 HydrophobicContact CG2-CD2 4.2Å; I78-F82 PolarHBondContact O-N 2.9Å; F82-M84 PolarHBondContact O-N 3.22Å; F82-N85 PolarHBondContact O-N 2.73Å; F82-L86 HydrophobicContact CB-CD1 4.47Å; F82-L86 WeakPolarHBondContact O-CB 3.47Å; F82-L86 WeakPolarHBondContact O-CG 3.31Å; F82-L86 PolarHBondContact O-N 2.94Å; F82-L109 HydrophobicContact CB-CD2 3.96Å; F82-L109 HydrophobicContact CD2-CD2 4.06Å; F82-L109 HydrophobicContact CG-CD2 3.98Å
83	S	96.4	Very high	95.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-58.1	-52.3	-170.3	-49.3	0	0	0	0	113.1	I79 N85 L86 Y87 D110	I79-S83 WeakPolarHBondContact O-CB 3.46Å; I79-S83 PolarHBondContact O-N 3.37Å; S83-N85 VanDerWaalsContact C-N 3.27Å; S83-N85 PolarHBondContact O-N 3.12Å; S83-L86 PolarHBondContact O-N 3.47Å; S83-Y87 WeakPolarHBondContact O-CB 3.5Å; S83-Y87 PolarHBondContact O-N 2.91Å; S83-D110 WeakPolarHBondContact CB-OD1 3.37Å; S83-D110 PolarHBondContact OG-OD1 2.94Å
84	M	96.4	Very high	95	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.6	-39.3	179.6	-74.9	-177.6	177.9	0	0	112.9	V40 T44 I79 F82 T88 W482 Y485	V40-M84 HydrophobicContact CG1-CE 4.21Å; V40-M84 HydrophobicContact CG1-SD 4.3Å; T44-M84 HydrophobicContact CG2-CE 3.99Å; T44-M84 HydrophobicContact CG2-SD 4.36Å; T44-M84 WeakPolarHBondContact OG1-CE 3.46Å; I79-M84 HydrophobicContact CG2-CE 4.48Å; I79-M84 WeakPolarHBondContact O-CG 3.37Å; I79-M84 PolarHBondContact O-N 3.14Å; F82-M84 PolarHBondContact O-N 3.22Å; M84-T88 WeakPolarHBondContact O-CB 3.26Å; M84-T88 PolarHBondContact O-N 2.93Å; M84-T88 PolarHBondContact O-OG1 2.93Å; M84-W482 HydrophobicContact CB-CH2 3.72Å; M84-W482 HydrophobicContact CB-CZ3 4.04Å; M84-W482 HydrophobicContact CG-CH2 3.99Å; M84-W482 HydrophobicContact CG-CZ3 3.77Å; M84-W482 VanDerWaalsContact O-CH2 3.27Å; M84-W482 WeakPolarHBondContact O-CH2 3.49Å; M84-W482 WeakPolarHBondContact O-CZ2 3.21Å; M84-W482 HydrophobicContact SD-CZ3 4.3Å; M84-Y485 WeakPolarHBondContact CE-O 3.49Å; M84-Y485 HydrophobicContact CG-CD2 4.01Å; M84-Y485 HydrophobicContact CG-CG 4.14Å
85	N	96.6	Very high	94.7	Very high	58 Å²	58	37.5 Å²	37.5	31%	0.31	19%	0.19	S	C	.	.	H	α-helix	trans	-84.5	-38.1	-174.3	-66.7	-51.6	0	0	0	112.5	S41 G80 I81 F82 S83 T88 T89	S41-N85 PolarHBondContact OG-ND2 3.03Å; G80-N85 PolarHBondContact O-ND2 2.76Å; I81-N85 PolarHBondContact O-ND2 3.45Å; F82-N85 PolarHBondContact O-N 2.73Å; S83-N85 VanDerWaalsContact C-N 3.27Å; S83-N85 PolarHBondContact O-N 3.12Å; N85-T88 PolarHBondContact O-N 3.15Å; N85-T89 WeakPolarHBondContact O-CB 3.37Å; N85-T89 PolarHBondContact O-N 2.97Å; N85-T89 PolarHBondContact O-OG1 2.99Å
86	L	96.1	Very high	94.5	Very high	47 Å²	47	38 Å²	38	25%	0.246	19%	0.192	C	C	.	.	H	α-helix	trans	-66.8	-41	172.6	-67.9	173	0	0	0	111.1	F82 S83 T89 Y90 W96 L98 W106	F82-L86 HydrophobicContact CB-CD1 4.47Å; F82-L86 WeakPolarHBondContact O-CB 3.47Å; F82-L86 WeakPolarHBondContact O-CG 3.31Å; F82-L86 PolarHBondContact O-N 2.94Å; S83-L86 PolarHBondContact O-N 3.47Å; L86-T89 WeakPolarHBondContact O-CB 3.42Å; L86-T89 PolarHBondContact O-N 3.05Å; L86-Y90 PolarHBondContact O-N 2.93Å; L86-W96 HydrophobicContact CB-CH2 4.47Å; L86-W96 HydrophobicContact CD2-CH2 4.39Å; L86-L98 HydrophobicContact CD2-CD1 4.02Å; L86-W106 HydrophobicContact CB-CD2 4.2Å; L86-W106 HydrophobicContact CB-CG 4.2Å; L86-W106 HydrophobicContact CD1-CB 3.96Å; L86-W106 HydrophobicContact CD1-CG 3.71Å
87	Y	96.2	Very high	94.3	Very high	12 Å²	12	40.9 Å²	40.9	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-39.5	174.8	-161.5	-112.1	0	0	0	112.7	S83 T89 Y90 I91 W106 H478 Y481 W482 Y485	S83-Y87 WeakPolarHBondContact O-CB 3.5Å; S83-Y87 PolarHBondContact O-N 2.91Å; Y87-T89 VanDerWaalsContact C-N 3.29Å; Y87-T89 PolarHBondContact O-N 3.13Å; Y87-Y90 HydrophobicContact CD2-CD1 4.38Å; Y87-Y90 HydrophobicContact CE2-CD1 4.23Å; Y87-Y90 PolarHBondContact O-N 3.18Å; Y87-I91 HydrophobicContact CD1-CG2 4.4Å; Y87-I91 HydrophobicContact CE1-CG2 4.08Å; Y87-I91 PolarHBondContact O-N 2.84Å; Y87-I91 VanDerWaalsContact O-N 3.07Å; Y87-W106 AromaticContact CD2-CH2 3.67Å; Y87-W106 HydrophobicContact CD2-CH2 3.67Å; Y87-W106 AromaticContact CD2-CZ2 3.68Å; Y87-W106 HydrophobicContact CD2-CZ2 3.68Å; Y87-W106 HydrophobicContact CE2-CH2 4.35Å; Y87-W106 HydrophobicContact CG-CZ2 4.4Å; Y87-H478 AromaticContact CZ-ND1 3.69Å; Y87-H478 WeakPolarHBondContact OH-CA 3.31Å; Y87-H478 PolarHBondContact OH-ND1 3.4Å; Y87-Y481 HydrophobicContact CD2-CD1 4.3Å; Y87-Y481 HydrophobicContact CE1-CD1 4.25Å; Y87-Y481 HydrophobicContact CE1-CG 4.08Å; Y87-Y481 AromaticContact CE2-CD1 3.97Å; Y87-Y481 HydrophobicContact CE2-CD1 3.97Å; Y87-Y481 HydrophobicContact CE2-CD2 4.48Å; Y87-Y481 HydrophobicContact CE2-CE1 4.38Å; Y87-Y481 HydrophobicContact CE2-CG 4.03Å; Y87-Y481 AromaticContact CZ-CD1 3.94Å; Y87-Y481 AromaticContact CZ-CG 3.64Å; Y87-Y481 WeakPolarHBondContact OH-CB 3.17Å; Y87-W482 AromaticContact CD1-CD1 3.91Å; Y87-W482 AromaticContact CD1-CE2 3.96Å; Y87-W482 HydrophobicContact CD1-CZ2 4.39Å; Y87-W482 AromaticContact CD1-NE1 3.47Å; Y87-W482 AromaticContact CE1-CD1 3.84Å; Y87-W482 AromaticContact CE1-NE1 3.83Å; Y87-Y485 AromaticContact CD1-CE2 3.9Å; Y87-Y485 HydrophobicContact CD1-CE2 3.9Å; Y87-Y485 AromaticContact CG-CE2 3.87Å; Y87-Y485 HydrophobicContact CG-CE2 3.87Å
88	T	94.9	Very high	94.1	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.074	23%	0.234	C	C	.	.	H	α-helix	trans	-54.1	-48.7	168.7	-63.1	0	0	0	0	110.4	T37 M84 N85 Y90 I91 L92 W482	T37-T88 VanDerWaalsContact CB-OG1 3.29Å; T37-T88 WeakPolarHBondContact CB-OG1 3.21Å; T37-T88 WeakPolarHBondContact OG1-CG2 3.43Å; T37-T88 PolarHBondContact OG1-OG1 2.92Å; M84-T88 WeakPolarHBondContact O-CB 3.26Å; M84-T88 PolarHBondContact O-N 2.93Å; M84-T88 PolarHBondContact O-OG1 2.93Å; N85-T88 PolarHBondContact O-N 3.15Å; T88-Y90 PolarHBondContact O-N 3.44Å; T88-I91 WeakPolarHBondContact O-CG1 3.3Å; T88-I91 PolarHBondContact O-N 3.33Å; T88-L92 HydrophobicContact CG2-CD1 3.55Å; T88-L92 HydrophobicContact CG2-CG 4.14Å; T88-L92 WeakPolarHBondContact O-CB 3.33Å; T88-L92 VanDerWaalsContact O-CG 3.24Å; T88-L92 WeakPolarHBondContact O-CG 3.43Å; T88-L92 PolarHBondContact O-N 2.96Å; T88-W482 WeakPolarHBondContact OG1-CZ2 3.12Å
89	T	93.3	Very high	93.8	Very high	59 Å²	59	44.1 Å²	44.1	36%	0.362	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-43.3	-177.6	-54.3	0	0	0	0	111.2	N85 L86 Y87 L92 M93	N85-T89 WeakPolarHBondContact O-CB 3.37Å; N85-T89 PolarHBondContact O-N 2.97Å; N85-T89 PolarHBondContact O-OG1 2.99Å; L86-T89 WeakPolarHBondContact O-CB 3.42Å; L86-T89 PolarHBondContact O-N 3.05Å; Y87-T89 VanDerWaalsContact C-N 3.29Å; Y87-T89 PolarHBondContact O-N 3.13Å; T89-L92 PolarHBondContact O-N 3.4Å; T89-M93 HydrophobicContact CG2-CG 4.26Å; T89-M93 HydrophobicContact CG2-SD 3.68Å; T89-M93 WeakPolarHBondContact O-CB 3.5Å; T89-M93 VanDerWaalsContact O-CG 3.29Å; T89-M93 WeakPolarHBondContact O-CG 3.47Å; T89-M93 PolarHBondContact O-N 3.38Å
90	Y	93.3	Very high	93.5	Very high	38 Å²	38	47 Å²	47	15%	0.149	26%	0.262	C	S	.	.	H	α-helix	trans	-58.2	-51.6	176.3	179.7	-123.8	0	0	0	112.7	L86 Y87 T88 L92 G94 R95 W96 C183	L86-Y90 PolarHBondContact O-N 2.93Å; Y87-Y90 HydrophobicContact CD2-CD1 4.38Å; Y87-Y90 HydrophobicContact CE2-CD1 4.23Å; Y87-Y90 PolarHBondContact O-N 3.18Å; T88-Y90 PolarHBondContact O-N 3.44Å; Y90-L92 PolarHBondContact O-N 2.85Å; Y90-G94 PolarHBondContact O-N 3.26Å; Y90-R95 PolarHBondContact O-N 2.91Å; Y90-W96 HydrophobicContact CD2-CB 3.97Å; Y90-W96 HydrophobicContact CD2-CE3 4.06Å; Y90-W96 HydrophobicContact CE2-CB 3.97Å; Y90-W96 HydrophobicContact CG-CE3 4.4Å; Y90-C183 HydrophobicContact CE2-CB 4.3Å; Y90-C183 PolarHBondContact OH-N 3.25Å
91	I	91.3	Very high	93.3	Very high	19 Å²	19	52.6 Å²	52.6	10%	0.097	29%	0.292	C	S	.	.	H	α-helix	trans	-69	-33.8	-178.1	67.6	176.5	0	0	0	112.8	I33 Y87 T88	I33-I91 HydrophobicContact CG2-CD1 4Å; Y87-I91 HydrophobicContact CD1-CG2 4.4Å; Y87-I91 HydrophobicContact CE1-CG2 4.08Å; Y87-I91 PolarHBondContact O-N 2.84Å; Y87-I91 VanDerWaalsContact O-N 3.07Å; T88-I91 WeakPolarHBondContact O-CG1 3.3Å; T88-I91 PolarHBondContact O-N 3.33Å
92	L	91.1	Very high	93.2	Very high	45 Å²	45	51.1 Å²	51.1	24%	0.236	29%	0.29	C	S	.	.	H	α-helix	trans	-78.4	-30.4	-180	-65.7	-178.5	0	0	0	113.4	V30 I33 A34 T88 T89 Y90 G94	V30-L92 HydrophobicContact CB-CD2 4.48Å; V30-L92 HydrophobicContact CG1-CD2 4.14Å; I33-L92 HydrophobicContact CB-CD2 3.95Å; I33-L92 HydrophobicContact CG2-CD2 3.77Å; A34-L92 HydrophobicContact CB-CD1 3.66Å; T88-L92 HydrophobicContact CG2-CD1 3.55Å; T88-L92 HydrophobicContact CG2-CG 4.14Å; T88-L92 WeakPolarHBondContact O-CB 3.33Å; T88-L92 VanDerWaalsContact O-CG 3.24Å; T88-L92 WeakPolarHBondContact O-CG 3.43Å; T88-L92 PolarHBondContact O-N 2.96Å; T89-L92 PolarHBondContact O-N 3.4Å; Y90-L92 PolarHBondContact O-N 2.85Å; L92-G94 VanDerWaalsContact C-N 3.34Å
93	M	88.4	Confident	93.1	Very high	99 Å²	99	46.6 Å²	46.6	49%	0.488	27%	0.27	S	S	.	.	H	α-helix	trans	-80.6	-18.2	173	-69.1	-174.5	68.3	0	0	112.6	T89 R95 A97	T89-M93 HydrophobicContact CG2-CG 4.26Å; T89-M93 HydrophobicContact CG2-SD 3.68Å; T89-M93 WeakPolarHBondContact O-CB 3.5Å; T89-M93 VanDerWaalsContact O-CG 3.29Å; T89-M93 WeakPolarHBondContact O-CG 3.47Å; T89-M93 PolarHBondContact O-N 3.38Å; M93-R95 PolarHBondContact O-N 3.39Å; M93-A97 HydrophobicContact CE-CB 3.53Å; M93-A97 HydrophobicContact SD-CB 4.47Å
94	G	87.8	Confident	93.1	Very high	35 Å²	35	47.2 Å²	47.2	36%	0.361	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	10.7	-173.3	0	0	0	0	0	114.3	L22 Y90 L92	L22-G94 WeakPolarHBondContact CD2-O 3.5Å; Y90-G94 PolarHBondContact O-N 3.26Å; L92-G94 VanDerWaalsContact C-N 3.34Å
95	R	89.6	Confident	93.1	Very high	127 Å²	127	51.7 Å²	51.7	48%	0.479	30%	0.297	S	S	.	.	S	Bend	trans	-166.8	161.5	-179.7	56.9	164.3	-176.1	161.3	2.4	112.6	Y90 M93 D181	Y90-R95 PolarHBondContact O-N 2.91Å; M93-R95 PolarHBondContact O-N 3.39Å; R95-D181 CarbonylContact C-O 3.49Å; R95-D181 WeakPolarHBondContact CA-O 3.3Å; R95-D181 HydrophobicContact CB-CB 3.88Å; R95-D181 VanDerWaalsContact CB-O 3.28Å; R95-D181 WeakPolarHBondContact CB-O 3.42Å; R95-D181 WeakPolarHBondContact CD-OD1 3.48Å; R95-D181 IonicContact CZ-OD1 2.68Å; R95-D181 IonicContact NE-OD1 2.77Å; R95-D181 IonicContact NH1-OD1 2.65Å; R95-D181 PolarHBondContact NH1-OD1 3.02Å
96	W	93.8	Very high	93.1	Very high	11 Å²	11	49.3 Å²	49.3	4%	0.042	28%	0.284	C	S	.	.			trans	-93.9	102.5	177.7	-173.4	-97.1	0	0	0	112.7	L86 Y90 L98 G99 A102 C103 W106 D181 C183	L86-W96 HydrophobicContact CB-CH2 4.47Å; L86-W96 HydrophobicContact CD2-CH2 4.39Å; Y90-W96 HydrophobicContact CD2-CB 3.97Å; Y90-W96 HydrophobicContact CD2-CE3 4.06Å; Y90-W96 HydrophobicContact CE2-CB 3.97Å; Y90-W96 HydrophobicContact CG-CE3 4.4Å; W96-L98 HydrophobicContact CH2-CB 4.48Å; W96-L98 HydrophobicContact CH2-CD1 3.67Å; W96-L98 HydrophobicContact CZ2-CB 3.69Å; W96-L98 HydrophobicContact CZ2-CD1 3.73Å; W96-L98 HydrophobicContact CZ2-CG 4.33Å; W96-L98 HydrophobicContact CZ3-CD1 4.17Å; W96-G99 PolarHBondContact NE1-O 3.07Å; W96-A102 HydrophobicContact CZ2-CB 4.03Å; W96-C103 HydrophobicContact CD2-CB 4.37Å; W96-C103 HydrophobicContact CG-CB 4.4Å; W96-C103 HydrophobicContact CZ2-CB 4.29Å; W96-W106 AromaticContact CE3-CE3 3.98Å; W96-W106 HydrophobicContact CE3-CE3 3.98Å; W96-W106 AromaticContact CE3-CZ3 3.9Å; W96-W106 HydrophobicContact CE3-CZ3 3.9Å; W96-W106 HydrophobicContact CH2-CB 4.27Å; W96-W106 AromaticContact CH2-CD2 3.93Å; W96-W106 HydrophobicContact CH2-CD2 3.93Å; W96-W106 AromaticContact CH2-CE3 3.34Å; W96-W106 HydrophobicContact CH2-CE3 3.34Å; W96-W106 HydrophobicContact CH2-CG 4.3Å; W96-W106 HydrophobicContact CH2-CZ3 4.1Å; W96-W106 HydrophobicContact CZ2-CE3 4.12Å; W96-W106 HydrophobicContact CZ3-CD2 4.08Å; W96-W106 AromaticContact CZ3-CE3 3.26Å; W96-W106 HydrophobicContact CZ3-CE3 3.26Å; W96-W106 AromaticContact CZ3-CZ3 3.52Å; W96-W106 HydrophobicContact CZ3-CZ3 3.52Å; W96-D181 PolarHBondContact N-O 3.01Å; W96-C183 HydrophobicContact CB-CB 3.87Å; W96-C183 HydrophobicContact CD2-CB 3.85Å; W96-C183 HydrophobicContact CE3-CB 4.05Å; W96-C183 HydrophobicContact CG-CB 3.77Å
97	A	91.8	Very high	93.1	Very high	61 Å²	61	47.3 Å²	47.3	50%	0.504	27%	0.273	S	S	.	.			trans	-93.4	-2.1	-177.1	0	0	0	0	0	115.4	M93	M93-A97 HydrophobicContact CE-CB 3.53Å; M93-A97 HydrophobicContact SD-CB 4.47Å
98	L	92.4	Very high	93.2	Very high	100 Å²	100	47 Å²	47	52%	0.524	27%	0.273	S	S	.	.	S	Bend	trans	-89.3	1.4	-172.7	-67.7	158	0	0	0	113.9	L86 W96 A102	L86-L98 HydrophobicContact CD2-CD1 4.02Å; W96-L98 HydrophobicContact CH2-CB 4.48Å; W96-L98 HydrophobicContact CH2-CD1 3.67Å; W96-L98 HydrophobicContact CZ2-CB 3.69Å; W96-L98 HydrophobicContact CZ2-CD1 3.73Å; W96-L98 HydrophobicContact CZ2-CG 4.33Å; W96-L98 HydrophobicContact CZ3-CD1 4.17Å; L98-A102 HydrophobicContact CB-CB 3.85Å; L98-A102 VanDerWaalsContact O-CB 3.23Å; L98-A102 WeakPolarHBondContact O-CB 3.4Å
99	G	92.8	Very high	93.3	Very high	38 Å²	38	49.6 Å²	49.6	39%	0.392	29%	0.286	S	S	.	.			trans	84.6	162.2	-179.9	0	0	0	0	0	114.6	W96 L101 A102 C103	W96-G99 PolarHBondContact NE1-O 3.07Å; G99-L101 PolarHBondContact O-N 2.77Å; G99-A102 PolarHBondContact O-N 2.93Å; G99-C103 PolarHBondContact O-N 3.25Å; G99-C103 VanDerWaalsContact O-N 3.11Å
100	S	91.2	Very high	93.5	Very high	62 Å²	62	46.9 Å²	46.9	43%	0.434	27%	0.269	S	S	.	.	H	α-helix	trans	-59.6	-47.8	-172.5	48.6	0	0	0	0	113.6	A102 C103 D104	S100-A102 VanDerWaalsContact C-N 3.3Å; S100-A102 PolarHBondContact O-N 3.42Å; S100-C103 VanDerWaalsContact O-CB 3.32Å; S100-C103 WeakPolarHBondContact O-CB 3.31Å; S100-C103 PolarHBondContact O-N 2.87Å; S100-C103 VanDerWaalsContact O-N 3.12Å; S100-D104 VanDerWaalsContact O-CG 3.23Å; S100-D104 PolarHBondContact O-N 3.36Å
101	L	92.1	Very high	93.6	Very high	117 Å²	117	46.4 Å²	46.4	61%	0.613	27%	0.268	S	S	*	.	H	α-helix	trans	-61.2	-38	179.4	-179.7	61.2	0	0	0	112.2	G99 D104 L105	G99-L101 PolarHBondContact O-N 2.77Å; L101-D104 PolarHBondContact O-N 3.44Å; L101-L105 HydrophobicContact CD1-CD1 3.98Å; L101-L105 HydrophobicContact CD1-CG 4.08Å; L101-L105 HydrophobicContact CG-CD1 3.89Å; L101-L105 HydrophobicContact CG-CG 4.41Å; L101-L105 VanDerWaalsContact O-CB 3.32Å; L101-L105 WeakPolarHBondContact O-CB 3.23Å; L101-L105 VanDerWaalsContact O-CG 3.23Å; L101-L105 WeakPolarHBondContact O-CG 3.23Å; L101-L105 PolarHBondContact O-N 2.89Å
102	A	95.3	Very high	93.8	Very high	37 Å²	37	46.1 Å²	46.1	31%	0.306	27%	0.267	S	S	.	.	H	α-helix	trans	-69.1	-35.5	176.5	0	0	0	0	0	112.1	W96 L98 G99 S100 W106	W96-A102 HydrophobicContact CZ2-CB 4.03Å; L98-A102 HydrophobicContact CB-CB 3.85Å; L98-A102 VanDerWaalsContact O-CB 3.23Å; L98-A102 WeakPolarHBondContact O-CB 3.4Å; G99-A102 PolarHBondContact O-N 2.93Å; S100-A102 VanDerWaalsContact C-N 3.3Å; S100-A102 PolarHBondContact O-N 3.42Å; A102-W106 VanDerWaalsContact O-CB 3.26Å; A102-W106 WeakPolarHBondContact O-CB 3.45Å; A102-W106 PolarHBondContact O-N 3.41Å
103	C	95.5	Very high	94.1	Very high	1 Å²	1	44 Å²	44	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-53.8	172.1	169.9	0	0	0	0	110.5	W96 G99 S100 L105 W106 L107 C183	W96-C103 HydrophobicContact CD2-CB 4.37Å; W96-C103 HydrophobicContact CG-CB 4.4Å; W96-C103 HydrophobicContact CZ2-CB 4.29Å; G99-C103 PolarHBondContact O-N 3.25Å; G99-C103 VanDerWaalsContact O-N 3.11Å; S100-C103 VanDerWaalsContact O-CB 3.32Å; S100-C103 WeakPolarHBondContact O-CB 3.31Å; S100-C103 PolarHBondContact O-N 2.87Å; S100-C103 VanDerWaalsContact O-N 3.12Å; C103-L105 VanDerWaalsContact C-N 3.34Å; C103-L105 PolarHBondContact O-N 3.13Å; C103-W106 PolarHBondContact O-N 3.13Å; C103-L107 WeakPolarHBondContact O-CG 3.49Å; C103-L107 PolarHBondContact O-N 3.31Å; C103-C183 WeakPolarHBondContact CA-SG 3.27Å; C103-C183 HydrophobicContact CB-CB 3.9Å; C103-C183 WeakPolarHBondContact CB-SG 3.13Å; C103-C183 WeakPolarHBondContact SG-CA 3.28Å; C103-C183 WeakPolarHBondContact SG-CB 3.36Å; C103-C183 CovalentContact SG-SG 2.03Å; C103-C183 PolarHBondContact SG-SG 2.91Å
104	D	94.9	Very high	94.4	Very high	14 Å²	14	40 Å²	40	8%	0.075	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-40.1	-175.2	-57.2	-9.9	0	0	0	111.5	S100 L101 A108 L167 Q170 R176	S100-D104 VanDerWaalsContact O-CG 3.23Å; S100-D104 PolarHBondContact O-N 3.36Å; L101-D104 PolarHBondContact O-N 3.44Å; D104-A108 WeakPolarHBondContact O-CB 3.49Å; D104-A108 PolarHBondContact O-N 3.38Å; D104-L167 HydrophobicContact CB-CD2 3.89Å; D104-Q170 PolarHBondContact OD2-NE2 3.44Å; D104-R176 IonicContact OD1-CZ 3.19Å; D104-R176 VanDerWaalsContact OD1-CZ 3.28Å; D104-R176 IonicContact OD1-NH1 2.86Å; D104-R176 PolarHBondContact OD1-NH1 2.94Å; D104-R176 IonicContact OD1-NH2 3.77Å; D104-R176 PolarHBondContact OD1-NH2 2.84Å; D104-R176 IonicContact OD2-CZ 3.84Å; D104-R176 IonicContact OD2-NH1 3.84Å; D104-R176 PolarHBondContact OD2-NH1 3.08Å; D104-R176 IonicContact OD2-NH2 3.82Å
105	L	96.3	Very high	94.8	Very high	93 Å²	93	38.8 Å²	38.8	49%	0.487	22%	0.223	S	C	.	.	H	α-helix	trans	-68.3	-39.4	175.4	-72.6	173	0	0	0	112.9	L101 C103 L109 L167	L101-L105 HydrophobicContact CD1-CD1 3.98Å; L101-L105 HydrophobicContact CD1-CG 4.08Å; L101-L105 HydrophobicContact CG-CD1 3.89Å; L101-L105 HydrophobicContact CG-CG 4.41Å; L101-L105 VanDerWaalsContact O-CB 3.32Å; L101-L105 WeakPolarHBondContact O-CB 3.23Å; L101-L105 VanDerWaalsContact O-CG 3.23Å; L101-L105 WeakPolarHBondContact O-CG 3.23Å; L101-L105 PolarHBondContact O-N 2.89Å; C103-L105 VanDerWaalsContact C-N 3.34Å; C103-L105 PolarHBondContact O-N 3.13Å; L105-L109 VanDerWaalsContact O-CB 3.31Å; L105-L109 WeakPolarHBondContact O-CB 3.49Å; L105-L109 PolarHBondContact O-N 2.62Å; L105-L167 HydrophobicContact CD2-CD2 4.2Å
106	W	97.5	Very high	95	Very high	9 Å²	9	32.8 Å²	32.8	3%	0.034	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-48.8	175.2	161.9	44.8	0	0	0	111.1	L86 Y87 W96 A102 C103 A108 L109 D110 C183	L86-W106 HydrophobicContact CB-CD2 4.2Å; L86-W106 HydrophobicContact CB-CG 4.2Å; L86-W106 HydrophobicContact CD1-CB 3.96Å; L86-W106 HydrophobicContact CD1-CG 3.71Å; Y87-W106 AromaticContact CD2-CH2 3.67Å; Y87-W106 HydrophobicContact CD2-CH2 3.67Å; Y87-W106 AromaticContact CD2-CZ2 3.68Å; Y87-W106 HydrophobicContact CD2-CZ2 3.68Å; Y87-W106 HydrophobicContact CE2-CH2 4.35Å; Y87-W106 HydrophobicContact CG-CZ2 4.4Å; W96-W106 AromaticContact CE3-CE3 3.98Å; W96-W106 HydrophobicContact CE3-CE3 3.98Å; W96-W106 AromaticContact CE3-CZ3 3.9Å; W96-W106 HydrophobicContact CE3-CZ3 3.9Å; W96-W106 HydrophobicContact CH2-CB 4.27Å; W96-W106 AromaticContact CH2-CD2 3.93Å; W96-W106 HydrophobicContact CH2-CD2 3.93Å; W96-W106 AromaticContact CH2-CE3 3.34Å; W96-W106 HydrophobicContact CH2-CE3 3.34Å; W96-W106 HydrophobicContact CH2-CG 4.3Å; W96-W106 HydrophobicContact CH2-CZ3 4.1Å; W96-W106 HydrophobicContact CZ2-CE3 4.12Å; W96-W106 HydrophobicContact CZ3-CD2 4.08Å; W96-W106 AromaticContact CZ3-CE3 3.26Å; W96-W106 HydrophobicContact CZ3-CE3 3.26Å; W96-W106 AromaticContact CZ3-CZ3 3.52Å; W96-W106 HydrophobicContact CZ3-CZ3 3.52Å; A102-W106 VanDerWaalsContact O-CB 3.26Å; A102-W106 WeakPolarHBondContact O-CB 3.45Å; A102-W106 PolarHBondContact O-N 3.41Å; C103-W106 PolarHBondContact O-N 3.13Å; W106-A108 VanDerWaalsContact C-N 3.33Å; W106-A108 PolarHBondContact O-N 3.49Å; W106-L109 PolarHBondContact O-N 3.08Å; W106-D110 WeakPolarHBondContact O-CB 3.36Å; W106-D110 PolarHBondContact O-N 2.97Å; W106-C183 VanDerWaalsContact CE3-SG 3.54Å; W106-C183 HydrophobicContact CZ3-CB 3.95Å; W106-C183 WeakPolarHBondContact CZ3-SG 3.4Å
107	L	96.3	Very high	95	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-43.6	176.7	-68.8	173.6	0	0	0	111.1	C103 D110 Y111 I166 C183 I185	C103-L107 WeakPolarHBondContact O-CG 3.49Å; C103-L107 PolarHBondContact O-N 3.31Å; L107-D110 PolarHBondContact O-N 3.27Å; L107-Y111 HydrophobicContact CD2-CE2 4.28Å; L107-Y111 WeakPolarHBondContact O-CB 3.41Å; L107-Y111 VanDerWaalsContact O-CD2 3.31Å; L107-Y111 WeakPolarHBondContact O-CD2 3.37Å; L107-Y111 PolarHBondContact O-N 3.49Å; L107-I166 HydrophobicContact CB-CG2 4.02Å; L107-C183 VanDerWaalsContact CD1-SG 3.59Å; L107-I185 HydrophobicContact CB-CG1 4.33Å; L107-I185 HydrophobicContact CD1-CG1 3.94Å; L107-I185 HydrophobicContact CD2-CG1 4.39Å; L107-I185 HydrophobicContact CG-CG1 4.47Å
108	A	97.1	Very high	95.1	Very high	6 Å²	6	29.7 Å²	29.7	5%	0.05	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-45.4	175.2	0	0	0	0	0	112.1	D104 W106 V112 A163 I166 L167	D104-A108 WeakPolarHBondContact O-CB 3.49Å; D104-A108 PolarHBondContact O-N 3.38Å; W106-A108 VanDerWaalsContact C-N 3.33Å; W106-A108 PolarHBondContact O-N 3.49Å; A108-V112 VanDerWaalsContact O-CB 3.25Å; A108-V112 WeakPolarHBondContact O-CB 3.38Å; A108-V112 WeakPolarHBondContact O-CG2 3.48Å; A108-V112 PolarHBondContact O-N 2.9Å; A108-V112 VanDerWaalsContact O-N 3.09Å; A108-A163 HydrophobicContact CB-CB 4.33Å; A108-I166 HydrophobicContact CB-CB 4.41Å; A108-I166 HydrophobicContact CB-CG2 4.21Å; A108-L167 HydrophobicContact CB-CD1 4.48Å; A108-L167 HydrophobicContact CB-CD2 4.06Å; A108-L167 HydrophobicContact CB-CG 4.12Å
109	L	97.3	Very high	95.1	Very high	67 Å²	67	26.6 Å²	26.6	35%	0.351	16%	0.159	S	C	.	.	H	α-helix	trans	-62	-45.2	177	-179.4	63.8	0	0	0	111.9	I78 F82 L105 W106 A113	I78-L109 HydrophobicContact CG2-CD1 3.73Å; I78-L109 HydrophobicContact CG2-CD2 4.16Å; I78-L109 HydrophobicContact CG2-CG 3.85Å; F82-L109 HydrophobicContact CB-CD2 3.96Å; F82-L109 HydrophobicContact CD2-CD2 4.06Å; F82-L109 HydrophobicContact CG-CD2 3.98Å; L105-L109 VanDerWaalsContact O-CB 3.31Å; L105-L109 WeakPolarHBondContact O-CB 3.49Å; L105-L109 PolarHBondContact O-N 2.62Å; W106-L109 PolarHBondContact O-N 3.08Å; L109-A113 VanDerWaalsContact O-CB 3.26Å; L109-A113 WeakPolarHBondContact O-CB 3.3Å; L109-A113 PolarHBondContact O-N 2.89Å
110	D	97.1	Very high	95.1	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.011	14%	0.141	C	C	.	.	H	α-helix	trans	-69.1	-48.1	-174.5	-167.8	25.5	0	0	0	112.2	S83 W106 L107 A113 S114 Y485	S83-D110 WeakPolarHBondContact CB-OD1 3.37Å; S83-D110 PolarHBondContact OG-OD1 2.94Å; W106-D110 WeakPolarHBondContact O-CB 3.36Å; W106-D110 PolarHBondContact O-N 2.97Å; L107-D110 PolarHBondContact O-N 3.27Å; D110-A113 PolarHBondContact O-N 3.44Å; D110-S114 WeakPolarHBondContact O-CB 3Å; D110-S114 PolarHBondContact O-N 3.21Å; D110-S114 PolarHBondContact O-OG 3.5Å; D110-Y485 WeakPolarHBondContact OD1-CE1 3.31Å; D110-Y485 WeakPolarHBondContact OD2-CE1 3.37Å; D110-Y485 PolarHBondContact OD2-OH 2.98Å
111	Y	95.6	Very high	95.1	Very high	28 Å²	28	22 Å²	22	11%	0.11	12%	0.121	C	C	.	.	H	α-helix	trans	-67.4	-37.1	177.7	-81.6	-104.8	0	0	0	112	L107 N115 W162 I166 I185 L188 Y458 Y481	L107-Y111 HydrophobicContact CD2-CE2 4.28Å; L107-Y111 WeakPolarHBondContact O-CB 3.41Å; L107-Y111 VanDerWaalsContact O-CD2 3.31Å; L107-Y111 WeakPolarHBondContact O-CD2 3.37Å; L107-Y111 PolarHBondContact O-N 3.49Å; Y111-N115 WeakPolarHBondContact O-CB 3.44Å; Y111-N115 PolarHBondContact O-N 3.39Å; Y111-W162 AromaticContact CD1-CD2 3.97Å; Y111-W162 HydrophobicContact CD1-CD2 3.97Å; Y111-W162 AromaticContact CD1-CE3 3.57Å; Y111-W162 HydrophobicContact CD1-CE3 3.57Å; Y111-W162 AromaticContact CD1-CH2 3.77Å; Y111-W162 HydrophobicContact CD1-CH2 3.77Å; Y111-W162 HydrophobicContact CD1-CZ2 4.13Å; Y111-W162 AromaticContact CD1-CZ3 3.46Å; Y111-W162 HydrophobicContact CD1-CZ3 3.46Å; Y111-W162 VanDerWaalsContact CD1-CZ3 3.46Å; Y111-W162 HydrophobicContact CE1-CE3 4.41Å; Y111-W162 HydrophobicContact CE1-CH2 4.08Å; Y111-W162 AromaticContact CE1-CZ3 3.89Å; Y111-W162 HydrophobicContact CE1-CZ3 3.89Å; Y111-W162 HydrophobicContact CG-CD2 4.4Å; Y111-W162 HydrophobicContact CG-CE3 4.09Å; Y111-W162 HydrophobicContact CG-CZ3 4.38Å; Y111-I166 HydrophobicContact CD2-CD1 4.27Å; Y111-I166 HydrophobicContact CG-CD1 4.09Å; Y111-I185 HydrophobicContact CD1-CD1 3.98Å; Y111-I185 HydrophobicContact CD2-CD1 3.62Å; Y111-I185 HydrophobicContact CE1-CD1 3.73Å; Y111-I185 HydrophobicContact CE2-CD1 3.31Å; Y111-I185 HydrophobicContact CE2-CG1 4.19Å; Y111-I185 HydrophobicContact CG-CD1 3.93Å; Y111-L188 HydrophobicContact CE1-CD1 4.21Å; Y111-Y458 PolarHBondContact OH-OH 3.36Å; Y111-Y481 WeakPolarHBondContact CE2-OH 3.23Å; Y111-Y481 VanDerWaalsContact CZ-OH 3.23Å; Y111-Y481 PolarHBondContact OH-OH 2.86Å
112	V	96.8	Very high	95.1	Very high	13 Å²	13	17.5 Å²	17.5	8%	0.079	10%	0.097	C	C	.	.	H	α-helix	trans	-66.4	-45.9	174.8	171.9	0	0	0	0	111.5	A108 A116 F159 W162 A163	A108-V112 VanDerWaalsContact O-CB 3.25Å; A108-V112 WeakPolarHBondContact O-CB 3.38Å; A108-V112 WeakPolarHBondContact O-CG2 3.48Å; A108-V112 PolarHBondContact O-N 2.9Å; A108-V112 VanDerWaalsContact O-N 3.09Å; V112-A116 WeakPolarHBondContact O-CB 3.43Å; V112-A116 PolarHBondContact O-N 3.39Å; V112-F159 HydrophobicContact CG1-CB 4.21Å; V112-F159 HydrophobicContact CG1-CD2 4.38Å; V112-F159 HydrophobicContact CG2-CD2 4.44Å; V112-W162 HydrophobicContact CG2-CB 3.84Å; V112-A163 HydrophobicContact CG2-CB 3.95Å
113	A	96.8	Very high	95	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-65.4	-43.7	178	0	0	0	0	0	111.6	I78 I79 L109 D110 A116 S117	I78-A113 HydrophobicContact CB-CB 4.26Å; I78-A113 HydrophobicContact CG2-CB 3.82Å; I79-A113 HydrophobicContact CD1-CB 4.41Å; I79-A113 HydrophobicContact CG1-CB 4.02Å; L109-A113 VanDerWaalsContact O-CB 3.26Å; L109-A113 WeakPolarHBondContact O-CB 3.3Å; L109-A113 PolarHBondContact O-N 2.89Å; D110-A113 PolarHBondContact O-N 3.44Å; A113-A116 PolarHBondContact O-N 3.34Å; A113-S117 PolarHBondContact O-N 3.48Å
114	S	95.2	Very high	94.8	Very high	13 Å²	13	16.9 Å²	16.9	9%	0.091	9%	0.089	C	C	.	.	H	α-helix	trans	-56.1	-55.7	173.9	-75.8	0	0	0	0	112.1	D110 A116 S117 V118	D110-S114 WeakPolarHBondContact O-CB 3Å; D110-S114 PolarHBondContact O-N 3.21Å; D110-S114 PolarHBondContact O-OG 3.5Å; S114-A116 VanDerWaalsContact C-N 3.31Å; S114-A116 PolarHBondContact O-N 2.98Å; S114-S117 WeakPolarHBondContact O-CA 3.28Å; S114-S117 WeakPolarHBondContact O-CB 3.43Å; S114-S117 PolarHBondContact O-N 3.02Å; S114-V118 PolarHBondContact O-N 3.04Å
115	N	94.7	Very high	94.6	Very high	11 Å²	11	16.2 Å²	16.2	6%	0.059	9%	0.086	C	C	.	.	H	α-helix	trans	-65.2	-34.9	179.6	-166.2	99.7	0	0	0	111.8	Y111 S117 V118 M119 S158 W162	Y111-N115 WeakPolarHBondContact O-CB 3.44Å; Y111-N115 PolarHBondContact O-N 3.39Å; N115-S117 VanDerWaalsContact C-N 3.29Å; N115-S117 PolarHBondContact O-N 2.94Å; N115-V118 PolarHBondContact O-N 3.23Å; N115-M119 WeakPolarHBondContact ND2-CG 3.4Å; N115-M119 WeakPolarHBondContact O-CB 3.36Å; N115-M119 VanDerWaalsContact O-CG 3.31Å; N115-M119 WeakPolarHBondContact O-CG 3.48Å; N115-M119 PolarHBondContact O-N 3.34Å; N115-S158 WeakPolarHBondContact ND2-CB 3.41Å; N115-S158 PolarHBondContact ND2-OG 3.25Å; N115-S158 PolarHBondContact O-OG 3.32Å; N115-W162 PolarHBondContact OD1-NE1 2.96Å
116	A	95.3	Very high	94.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-37.4	172.1	0	0	0	0	0	111.3	V112 A113 S114 M119 N120 W155 S158	V112-A116 WeakPolarHBondContact O-CB 3.43Å; V112-A116 PolarHBondContact O-N 3.39Å; A113-A116 PolarHBondContact O-N 3.34Å; S114-A116 VanDerWaalsContact C-N 3.31Å; S114-A116 PolarHBondContact O-N 2.98Å; A116-M119 PolarHBondContact O-N 3.07Å; A116-N120 WeakPolarHBondContact O-CB 3.33Å; A116-N120 PolarHBondContact O-N 3.45Å; A116-N120 PolarHBondContact O-ND2 3.28Å; A116-W155 HydrophobicContact CB-CD2 3.71Å; A116-W155 HydrophobicContact CB-CE3 3.69Å; A116-W155 HydrophobicContact CB-CG 4.33Å; A116-W155 HydrophobicContact CB-CH2 4.08Å; A116-W155 HydrophobicContact CB-CZ2 4.11Å; A116-W155 HydrophobicContact CB-CZ3 3.88Å; A116-S158 VanDerWaalsContact CA-OG 3.32Å; A116-S158 WeakPolarHBondContact CA-OG 3.45Å; A116-S158 PolarHBondContact N-OG 2.78Å
117	S	93.6	Very high	94	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	8%	0.076	C	C	.	.	H	α-helix	trans	-64.5	-45.4	172.1	-108.4	0	0	0	0	112.1	L72 A75 D76 A113 S114 N115 M119 N120 L121	L72-S117 VanDerWaalsContact CD1-O 3.27Å; L72-S117 WeakPolarHBondContact CD1-O 3.43Å; L72-S117 VanDerWaalsContact CD1-OG 3.28Å; L72-S117 WeakPolarHBondContact CD1-OG 3.4Å; A75-S117 WeakPolarHBondContact CB-OG 3.47Å; D76-S117 PolarHBondContact OD1-OG 3.12Å; A113-S117 PolarHBondContact O-N 3.48Å; S114-S117 WeakPolarHBondContact O-CA 3.28Å; S114-S117 WeakPolarHBondContact O-CB 3.43Å; S114-S117 PolarHBondContact O-N 3.02Å; N115-S117 VanDerWaalsContact C-N 3.29Å; N115-S117 PolarHBondContact O-N 2.94Å; S117-M119 PolarHBondContact O-N 3.45Å; S117-N120 PolarHBondContact O-N 3.39Å; S117-L121 WeakPolarHBondContact O-CG 3.49Å; S117-L121 PolarHBondContact O-N 2.7Å
118	V	92.8	Very high	93.6	Very high	6 Å²	6	16.5 Å²	16.5	4%	0.036	8%	0.082	C	C	.	.	H	α-helix	trans	-57	-48.5	173.4	-177	0	0	0	0	111.5	S114 N115 N120 L121 L122 P205 F451	S114-V118 PolarHBondContact O-N 3.04Å; N115-V118 PolarHBondContact O-N 3.23Å; V118-N120 PolarHBondContact O-N 3.18Å; V118-L121 WeakPolarHBondContact O-CB 3.26Å; V118-L121 PolarHBondContact O-N 3.05Å; V118-L122 PolarHBondContact O-N 3.35Å; V118-P205 HydrophobicContact CG1-CB 3.99Å; V118-F451 HydrophobicContact CB-CZ 4.37Å; V118-F451 HydrophobicContact CG1-CZ 3.98Å; V118-F451 HydrophobicContact CG2-CE2 3.89Å; V118-F451 HydrophobicContact CG2-CZ 3.83Å
119	M	93.1	Very high	93.2	Very high	36 Å²	36	18.2 Å²	18.2	18%	0.177	9%	0.088	C	C	.	.	H	α-helix	trans	-68.4	-32.8	-178.5	-70.2	-64.2	-74.4	0	0	112.5	N115 A116 S117 L122 V123 A154 I157	N115-M119 WeakPolarHBondContact ND2-CG 3.4Å; N115-M119 WeakPolarHBondContact O-CB 3.36Å; N115-M119 VanDerWaalsContact O-CG 3.31Å; N115-M119 WeakPolarHBondContact O-CG 3.48Å; N115-M119 PolarHBondContact O-N 3.34Å; A116-M119 PolarHBondContact O-N 3.07Å; S117-M119 PolarHBondContact O-N 3.45Å; M119-L122 PolarHBondContact O-N 3.06Å; M119-L122 HydrophobicContact SD-CD2 4.01Å; M119-V123 WeakPolarHBondContact O-CB 3.33Å; M119-V123 WeakPolarHBondContact O-CG2 3.28Å; M119-V123 PolarHBondContact O-N 2.9Å; M119-A154 HydrophobicContact CB-CB 3.87Å; M119-I157 HydrophobicContact CE-CD1 4.39Å; M119-I157 HydrophobicContact CE-CG2 4.23Å
120	N	93	Very high	92.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-67.3	-39.2	171	-85.1	-86.7	0	0	0	111.6	S71 L72 A116 S117 V118 V123 I124	S71-N120 VanDerWaalsContact CB-OD1 3.3Å; S71-N120 WeakPolarHBondContact CB-OD1 3.45Å; S71-N120 PolarHBondContact OG-ND2 3.37Å; S71-N120 PolarHBondContact OG-OD1 3.44Å; L72-N120 HydrophobicContact CD1-CB 3.59Å; A116-N120 WeakPolarHBondContact O-CB 3.33Å; A116-N120 PolarHBondContact O-N 3.45Å; A116-N120 PolarHBondContact O-ND2 3.28Å; S117-N120 PolarHBondContact O-N 3.39Å; V118-N120 PolarHBondContact O-N 3.18Å; N120-V123 PolarHBondContact O-N 2.94Å; N120-I124 WeakPolarHBondContact O-CB 3.43Å; N120-I124 WeakPolarHBondContact O-CD1 3.33Å; N120-I124 WeakPolarHBondContact O-CG1 3.47Å; N120-I124 PolarHBondContact O-N 3.36Å
121	L	90.4	Very high	92.3	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	9%	0.086	C	C	.	.	H	α-helix	trans	-63.6	-39.4	172.6	-68.9	177.2	0	0	0	112.2	L72 S117 V118 I124 S125 M209 I447 F451	L72-L121 HydrophobicContact CD1-CD2 4.3Å; L72-L121 HydrophobicContact CD1-CG 4.07Å; L72-L121 HydrophobicContact CD2-CD2 3.86Å; L72-L121 HydrophobicContact CD2-CG 4.41Å; S117-L121 WeakPolarHBondContact O-CG 3.49Å; S117-L121 PolarHBondContact O-N 2.7Å; V118-L121 WeakPolarHBondContact O-CB 3.26Å; V118-L121 PolarHBondContact O-N 3.05Å; L121-I124 HydrophobicContact CD2-CD1 4.47Å; L121-I124 PolarHBondContact O-N 3.33Å; L121-S125 WeakPolarHBondContact O-CB 3.3Å; L121-S125 PolarHBondContact O-N 2.85Å; L121-S125 PolarHBondContact O-OG 2.67Å; L121-M209 VanDerWaalsContact C-SD 3.6Å; L121-M209 HydrophobicContact CB-SD 3.86Å; L121-I447 HydrophobicContact CD2-CG2 3.61Å; L121-F451 HydrophobicContact CD1-CB 3.99Å; L121-F451 HydrophobicContact CD1-CD1 4.38Å; L121-F451 HydrophobicContact CD1-CD2 3.43Å; L121-F451 VanDerWaalsContact CD1-CD2 3.43Å; L121-F451 HydrophobicContact CD1-CE2 4Å; L121-F451 HydrophobicContact CD1-CG 3.66Å
122	L	92.4	Very high	91.8	Very high	22 Å²	22	17.4 Å²	17.4	12%	0.115	8%	0.083	C	C	.	.	H	α-helix	trans	-64.8	-43.8	174	-176.9	64.4	0	0	0	111.8	V118 M119 S125 F126 P205 V208 M209	V118-L122 PolarHBondContact O-N 3.35Å; M119-L122 PolarHBondContact O-N 3.06Å; M119-L122 HydrophobicContact SD-CD2 4.01Å; L122-S125 WeakPolarHBondContact O-CA 3.43Å; L122-S125 VanDerWaalsContact O-CB 3.27Å; L122-S125 WeakPolarHBondContact O-CB 3.49Å; L122-S125 PolarHBondContact O-N 2.7Å; L122-S125 VanDerWaalsContact O-N 3.11Å; L122-F126 HydrophobicContact CD1-CD2 4.2Å; L122-F126 HydrophobicContact CD1-CE2 3.77Å; L122-F126 HydrophobicContact CG-CD2 4.14Å; L122-F126 HydrophobicContact CG-CE2 3.94Å; L122-F126 WeakPolarHBondContact O-CD2 3.41Å; L122-F126 PolarHBondContact O-N 2.96Å; L122-P205 HydrophobicContact CD2-CB 4.4Å; L122-V208 HydrophobicContact CD1-CB 4.11Å; L122-V208 HydrophobicContact CD1-CG1 3.76Å; L122-M209 HydrophobicContact CB-CG 4.36Å; L122-M209 HydrophobicContact CB-SD 4.31Å; L122-M209 HydrophobicContact CD1-CG 3.64Å
123	V	93.3	Very high	91.3	Very high	19 Å²	19	18.6 Å²	18.6	12%	0.115	9%	0.091	C	C	.	.	H	α-helix	trans	-62.9	-42.3	175.1	161.2	0	0	0	0	111.9	Y68 M119 N120 S125 F126 D127 M150 A154	Y68-V123 HydrophobicContact CD1-CG1 3.6Å; Y68-V123 HydrophobicContact CE1-CG1 3.39Å; Y68-V123 HydrophobicContact CG-CG1 4.47Å; M119-V123 WeakPolarHBondContact O-CB 3.33Å; M119-V123 WeakPolarHBondContact O-CG2 3.28Å; M119-V123 PolarHBondContact O-N 2.9Å; N120-V123 PolarHBondContact O-N 2.94Å; V123-S125 VanDerWaalsContact C-N 3.27Å; V123-S125 PolarHBondContact O-N 3.04Å; V123-F126 PolarHBondContact O-N 3.02Å; V123-D127 WeakPolarHBondContact O-CB 3.13Å; V123-D127 PolarHBondContact O-N 3.32Å; V123-M150 HydrophobicContact CG1-CB 4.14Å; V123-M150 HydrophobicContact CG1-CE 4.15Å; V123-A154 HydrophobicContact CG2-CB 4.38Å
124	I	90.9	Very high	90.8	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.036	12%	0.117	C	C	.	.	H	α-helix	trans	-58.2	-43.5	171.3	-71.4	161.7	0	0	0	109.7	Y68 L69 N120 L121 F126 D127 R128 L444	Y68-I124 VanDerWaalsContact CB-CG1 3.46Å; Y68-I124 HydrophobicContact CD2-CG1 4.39Å; Y68-I124 HydrophobicContact CG-CG1 4.07Å; L69-I124 HydrophobicContact CD2-CD1 3.89Å; N120-I124 WeakPolarHBondContact O-CB 3.43Å; N120-I124 WeakPolarHBondContact O-CD1 3.33Å; N120-I124 WeakPolarHBondContact O-CG1 3.47Å; N120-I124 PolarHBondContact O-N 3.36Å; L121-I124 HydrophobicContact CD2-CD1 4.47Å; L121-I124 PolarHBondContact O-N 3.33Å; I124-F126 PolarHBondContact O-N 3.06Å; I124-D127 PolarHBondContact O-N 3.12Å; I124-R128 HydrophobicContact CG2-CG 4.16Å; I124-R128 VanDerWaalsContact O-CB 3.3Å; I124-R128 WeakPolarHBondContact O-CB 3.46Å; I124-R128 WeakPolarHBondContact O-CG 3.42Å; I124-R128 PolarHBondContact O-N 3.36Å; I124-L444 HydrophobicContact CG2-CD2 3.75Å
125	S	90.7	Very high	90.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-44	179.7	-58.9	0	0	0	0	112.6	L121 L122 V123 Y129 M209 Y213	L121-S125 WeakPolarHBondContact O-CB 3.3Å; L121-S125 PolarHBondContact O-N 2.85Å; L121-S125 PolarHBondContact O-OG 2.67Å; L122-S125 WeakPolarHBondContact O-CA 3.43Å; L122-S125 VanDerWaalsContact O-CB 3.27Å; L122-S125 WeakPolarHBondContact O-CB 3.49Å; L122-S125 PolarHBondContact O-N 2.7Å; L122-S125 VanDerWaalsContact O-N 3.11Å; V123-S125 VanDerWaalsContact C-N 3.27Å; V123-S125 PolarHBondContact O-N 3.04Å; S125-Y129 WeakPolarHBondContact O-CB 3.4Å; S125-Y129 PolarHBondContact O-N 3.19Å; S125-M209 WeakPolarHBondContact OG-CG 3.42Å; S125-Y213 VanDerWaalsContact OG-CE2 3.31Å; S125-Y213 WeakPolarHBondContact OG-CE2 3.09Å
126	F	91.6	Very high	89.4	Confident	72 Å²	72	34 Å²	34	32%	0.316	16%	0.163	S	C	.	.	H	α-helix	trans	-68.1	-48.3	175	-80.7	-69.2	0	0	0	113.4	L122 V123 I124 R128 Y129 F130 V208 L212	L122-F126 HydrophobicContact CD1-CD2 4.2Å; L122-F126 HydrophobicContact CD1-CE2 3.77Å; L122-F126 HydrophobicContact CG-CD2 4.14Å; L122-F126 HydrophobicContact CG-CE2 3.94Å; L122-F126 WeakPolarHBondContact O-CD2 3.41Å; L122-F126 PolarHBondContact O-N 2.96Å; V123-F126 PolarHBondContact O-N 3.02Å; I124-F126 PolarHBondContact O-N 3.06Å; F126-R128 PolarHBondContact O-N 2.84Å; F126-Y129 PolarHBondContact O-N 3.31Å; F126-F130 HydrophobicContact CB-CD2 4.44Å; F126-F130 HydrophobicContact CB-CE2 4.32Å; F126-F130 AromaticContact CD1-CE2 3.87Å; F126-F130 HydrophobicContact CD1-CE2 3.87Å; F126-F130 HydrophobicContact CD1-CZ 4.44Å; F126-F130 WeakPolarHBondContact O-CD2 3.46Å; F126-F130 PolarHBondContact O-N 3.45Å; F126-V208 HydrophobicContact CE2-CG1 3.96Å; F126-V208 HydrophobicContact CZ-CG1 3.64Å; F126-L212 HydrophobicContact CD1-CD1 3.76Å; F126-L212 HydrophobicContact CD1-CD2 4.22Å; F126-L212 HydrophobicContact CD2-CD1 4.17Å; F126-L212 HydrophobicContact CE1-CD1 3.78Å; F126-L212 HydrophobicContact CE1-CD2 4.13Å; F126-L212 HydrophobicContact CE2-CD1 4.18Å; F126-L212 HydrophobicContact CG-CD1 3.98Å; F126-L212 HydrophobicContact CZ-CD1 3.99Å
127	D	90.8	Very high	88.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-52.4	-42.7	175.7	170.4	85	0	0	0	111.1	Y68 V123 I124 S131 R142	Y68-D127 HydrophobicContact CE2-CB 3.83Å; V123-D127 WeakPolarHBondContact O-CB 3.13Å; V123-D127 PolarHBondContact O-N 3.32Å; I124-D127 PolarHBondContact O-N 3.12Å; D127-S131 WeakPolarHBondContact O-CB 3.3Å; D127-S131 PolarHBondContact O-N 3.47Å; D127-S131 PolarHBondContact O-OG 3.16Å; D127-R142 WeakPolarHBondContact OD1-CD 3.28Å; D127-R142 IonicContact OD1-CZ 2.89Å; D127-R142 IonicContact OD1-NE 2.68Å; D127-R142 IonicContact OD1-NH1 3.26Å; D127-R142 PolarHBondContact OD1-NH1 2.72Å; D127-R142 IonicContact OD2-NH1 2.62Å; D127-R142 PolarHBondContact OD2-NH1 2.86Å
128	R	87.5	Confident	88.7	Confident	40 Å²	40	41 Å²	41	15%	0.151	20%	0.2	C	C	.	.	H	α-helix	trans	-72.4	-46	-178.3	-65.2	-61.1	-169.6	154.1	10	112.4	N65 I124 F126 F130 S131 I132 I216 L444	N65-R128 PolarHBondContact OD1-NH1 2.79Å; I124-R128 HydrophobicContact CG2-CG 4.16Å; I124-R128 VanDerWaalsContact O-CB 3.3Å; I124-R128 WeakPolarHBondContact O-CB 3.46Å; I124-R128 WeakPolarHBondContact O-CG 3.42Å; I124-R128 PolarHBondContact O-N 3.36Å; F126-R128 PolarHBondContact O-N 2.84Å; R128-F130 VanDerWaalsContact C-N 3.34Å; R128-F130 PolarHBondContact O-N 3.11Å; R128-S131 WeakPolarHBondContact CA-OG 3.49Å; R128-S131 PolarHBondContact O-N 2.68Å; R128-S131 PolarHBondContact O-OG 3.05Å; R128-I132 WeakPolarHBondContact O-CG1 3.12Å; R128-I132 PolarHBondContact O-N 3.09Å; R128-I216 HydrophobicContact CB-CD1 4.28Å; R128-L444 HydrophobicContact CB-CD1 4Å; R128-L444 HydrophobicContact CG-CD1 3.55Å; R128-L444 HydrophobicContact CG-CD2 4.17Å
129	Y	89.3	Confident	88.2	Confident	41 Å²	41	45.6 Å²	45.6	16%	0.161	22%	0.217	C	C	.	.	H	α-helix	trans	-54	-49.2	173.3	174.4	-105.7	0	0	0	111.7	S125 F126 T133 L212 R215 I216	S125-Y129 WeakPolarHBondContact O-CB 3.4Å; S125-Y129 PolarHBondContact O-N 3.19Å; F126-Y129 PolarHBondContact O-N 3.31Å; Y129-T133 HydrophobicContact CD2-CG2 4.02Å; Y129-T133 HydrophobicContact CE2-CG2 3.76Å; Y129-T133 WeakPolarHBondContact O-CB 3.15Å; Y129-T133 WeakPolarHBondContact O-CG2 3.43Å; Y129-T133 PolarHBondContact O-N 3.13Å; Y129-T133 PolarHBondContact O-OG1 3.29Å; Y129-L212 HydrophobicContact CD1-CD2 3.77Å; Y129-L212 HydrophobicContact CD2-CD2 3.97Å; Y129-L212 HydrophobicContact CE1-CD2 4.22Å; Y129-L212 HydrophobicContact CE2-CD2 4.41Å; Y129-L212 HydrophobicContact CG-CD2 3.62Å; Y129-R215 HydrophobicContact CD2-CB 4.22Å; Y129-R215 HydrophobicContact CE2-CB 3.75Å; Y129-R215 HydrophobicContact CE2-CG 4.46Å; Y129-R215 PolarHBondContact OH-NH1 2.93Å; Y129-I216 HydrophobicContact CD2-CG1 4.23Å
130	F	90.4	Very high	87.7	Confident	60 Å²	60	47.7 Å²	47.7	26%	0.263	24%	0.239	S	C	.	.	H	α-helix	trans	-72.1	-35.2	178.9	-66	-57.5	0	0	0	113.2	F126 R128 I132 R134 Y138	F126-F130 HydrophobicContact CB-CD2 4.44Å; F126-F130 HydrophobicContact CB-CE2 4.32Å; F126-F130 AromaticContact CD1-CE2 3.87Å; F126-F130 HydrophobicContact CD1-CE2 3.87Å; F126-F130 HydrophobicContact CD1-CZ 4.44Å; F126-F130 WeakPolarHBondContact O-CD2 3.46Å; F126-F130 PolarHBondContact O-N 3.45Å; R128-F130 VanDerWaalsContact C-N 3.34Å; R128-F130 PolarHBondContact O-N 3.11Å; F130-I132 VanDerWaalsContact C-N 3.27Å; F130-I132 PolarHBondContact O-N 3.22Å; F130-R134 WeakPolarHBondContact O-CA 3.42Å; F130-R134 WeakPolarHBondContact O-CB 3.48Å; F130-R134 PolarHBondContact O-N 3.35Å; F130-Y138 HydrophobicContact CB-CD1 3.54Å; F130-Y138 HydrophobicContact CB-CD2 3.78Å; F130-Y138 HydrophobicContact CB-CE1 3.7Å; F130-Y138 HydrophobicContact CB-CE2 3.93Å; F130-Y138 HydrophobicContact CB-CG 3.58Å; F130-Y138 HydrophobicContact CD2-CE2 4.35Å; F130-Y138 HydrophobicContact CG-CD2 4.38Å; F130-Y138 HydrophobicContact CG-CE2 4.39Å
131	S	85.1	Confident	87.4	Confident	8 Å²	8	54.4 Å²	54.4	6%	0.056	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-28	177.3	76.1	0	0	0	0	113.9	D127 R128	D127-S131 WeakPolarHBondContact O-CB 3.3Å; D127-S131 PolarHBondContact O-N 3.47Å; D127-S131 PolarHBondContact O-OG 3.16Å; R128-S131 WeakPolarHBondContact CA-OG 3.49Å; R128-S131 PolarHBondContact O-N 2.68Å; R128-S131 PolarHBondContact O-OG 3.05Å
132	I	84.2	Confident	87.2	Confident	12 Å²	12	56.5 Å²	56.5	6%	0.062	28%	0.276	C	S	.	.	H	α-helix	trans	-86.5	-56.7	176.8	-66.9	172.4	0	0	0	109.5	R128 F130 R134 I216 E219 R223	R128-I132 WeakPolarHBondContact O-CG1 3.12Å; R128-I132 PolarHBondContact O-N 3.09Å; F130-I132 VanDerWaalsContact C-N 3.27Å; F130-I132 PolarHBondContact O-N 3.22Å; I132-R134 PolarHBondContact O-N 3.49Å; I132-I216 HydrophobicContact CD1-CG1 4.43Å; I132-I216 HydrophobicContact CD1-CG2 3.65Å; I132-E219 HydrophobicContact CG2-CG 4.13Å; I132-R223 PolarHBondContact O-NH1 3.35Å; I132-R223 PolarHBondContact O-NH2 3.47Å
133	T	85.9	Confident	87.2	Confident	39 Å²	39	58.3 Å²	58.3	24%	0.239	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-32.5	-176.4	55.9	0	0	0	0	113.7	Y129 P135 E219	Y129-T133 HydrophobicContact CD2-CG2 4.02Å; Y129-T133 HydrophobicContact CE2-CG2 3.76Å; Y129-T133 WeakPolarHBondContact O-CB 3.15Å; Y129-T133 WeakPolarHBondContact O-CG2 3.43Å; Y129-T133 PolarHBondContact O-N 3.13Å; Y129-T133 PolarHBondContact O-OG1 3.29Å; T133-P135 VanDerWaalsContact C-CD 3.48Å; T133-P135 WeakPolarHBondContact O-CD 3.5Å; T133-E219 HydrophobicContact CG2-CG 4.41Å
134	R	85.9	Confident	87	Confident	145 Å²	145	60.5 Å²	60.5	55%	0.547	30%	0.303	S	S	.	.			trans	-124	65.6	-174.7	-66.4	-176.5	178.9	-173.6	-1.5	112.1	F130 I132 L136 Y138 R139	F130-R134 WeakPolarHBondContact O-CA 3.42Å; F130-R134 WeakPolarHBondContact O-CB 3.48Å; F130-R134 PolarHBondContact O-N 3.35Å; I132-R134 PolarHBondContact O-N 3.49Å; R134-L136 VanDerWaalsContact C-N 3.32Å; R134-L136 PolarHBondContact O-N 3.05Å; R134-Y138 WeakPolarHBondContact O-CB 3.5Å; R134-Y138 PolarHBondContact O-N 3.3Å; R134-R139 PolarHBondContact O-N 3.46Å
135	P	80.3	Confident	87.1	Confident	53 Å²	53	68.7 Å²	68.7	34%	0.344	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.1	-168.6	29.9	-36	0	0	0	114.4	T133 R139	T133-P135 VanDerWaalsContact C-CD 3.48Å; T133-P135 WeakPolarHBondContact O-CD 3.5Å; P135-R139 WeakPolarHBondContact O-CB 3.37Å
136	L	80.6	Confident	87.1	Confident	150 Å²	150	75.4 Å²	75.4	79%	0.785	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-34.7	177.3	-61	179.7	0	0	0	112.9	R134 A140	R134-L136 VanDerWaalsContact C-N 3.32Å; R134-L136 PolarHBondContact O-N 3.05Å; L136-A140 VanDerWaalsContact O-CB 3.23Å; L136-A140 WeakPolarHBondContact O-CB 3.43Å
137	T	86	Confident	87.1	Confident	90 Å²	90	72 Å²	72	55%	0.552	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-38.5	-173.6	51.6	0	0	0	0	114.3	K141	T137-K141 WeakPolarHBondContact O-CD 3.46Å; T137-K141 WeakPolarHBondContact O-CG 3.22Å
138	Y	87.7	Confident	87.3	Confident	57 Å²	57	73.8 Å²	73.8	22%	0.224	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-55.6	177.7	-179.7	-97.5	0	0	0	111.3	F130 R134 A140 K141 R142	F130-Y138 HydrophobicContact CB-CD1 3.54Å; F130-Y138 HydrophobicContact CB-CD2 3.78Å; F130-Y138 HydrophobicContact CB-CE1 3.7Å; F130-Y138 HydrophobicContact CB-CE2 3.93Å; F130-Y138 HydrophobicContact CB-CG 3.58Å; F130-Y138 HydrophobicContact CD2-CE2 4.35Å; F130-Y138 HydrophobicContact CG-CD2 4.38Å; F130-Y138 HydrophobicContact CG-CE2 4.39Å; R134-Y138 WeakPolarHBondContact O-CB 3.5Å; R134-Y138 PolarHBondContact O-N 3.3Å; Y138-A140 VanDerWaalsContact C-N 3.3Å; Y138-A140 PolarHBondContact O-N 2.94Å; Y138-K141 CarbonylContact O-C 3.56Å; Y138-K141 PolarHBondContact O-N 3.24Å; Y138-R142 PolarHBondContact O-N 2.98Å
139	R	82.4	Confident	87.7	Confident	104 Å²	104	77.1 Å²	77.1	39%	0.392	39%	0.387	S	S	.	.	S	Bend	trans	-62.9	-30.6	-173.4	170.5	-179.1	179.8	163.8	-8.4	113.9	R134 P135 E437	R134-R139 PolarHBondContact O-N 3.46Å; P135-R139 WeakPolarHBondContact O-CB 3.37Å; R139-E437 IonicContact CZ-OE1 3.9Å; R139-E437 VanDerWaalsContact CZ-OE1 3.26Å; R139-E437 IonicContact NH1-OE1 2.71Å; R139-E437 PolarHBondContact NH1-OE1 3.49Å; R139-E437 IonicContact NH2-OE1 2.63Å; R139-E437 PolarHBondContact NH2-OE1 3.31Å
140	A	83.3	Confident	87.9	Confident	79 Å²	79	77.9 Å²	77.9	65%	0.653	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-33	172.7	0	0	0	0	0	113	L136 Y138 R142	L136-A140 VanDerWaalsContact O-CB 3.23Å; L136-A140 WeakPolarHBondContact O-CB 3.43Å; Y138-A140 VanDerWaalsContact C-N 3.3Å; Y138-A140 PolarHBondContact O-N 2.94Å; A140-R142 VanDerWaalsContact C-N 3.3Å; A140-R142 PolarHBondContact O-N 2.79Å
141	K	85.8	Confident	88.2	Confident	142 Å²	142	76.1 Å²	76.1	62%	0.617	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	12.5	-179.9	-63.1	-172.3	179.8	-173.6	0	113.5	T137 Y138 R146	T137-K141 WeakPolarHBondContact O-CD 3.46Å; T137-K141 WeakPolarHBondContact O-CG 3.22Å; Y138-K141 CarbonylContact O-C 3.56Å; Y138-K141 PolarHBondContact O-N 3.24Å; K141-R146 PolarHBondContact O-NH1 3.3Å
142	R	87.1	Confident	88.7	Confident	47 Å²	47	77.6 Å²	77.6	18%	0.177	40%	0.402	C	S	.	.			trans	-94.7	109.2	-174.1	-172.8	179	66.3	162.9	5.1	111.8	V64 N65 D127 Y138 A140	V64-R142 HydrophobicContact CB-CG 4.46Å; V64-R142 HydrophobicContact CG1-CG 3.95Å; N65-R142 VanDerWaalsContact OD1-CZ 3.31Å; N65-R142 PolarHBondContact OD1-NH1 2.84Å; N65-R142 PolarHBondContact OD1-NH2 3.04Å; D127-R142 WeakPolarHBondContact OD1-CD 3.28Å; D127-R142 IonicContact OD1-CZ 2.89Å; D127-R142 IonicContact OD1-NE 2.68Å; D127-R142 IonicContact OD1-NH1 3.26Å; D127-R142 PolarHBondContact OD1-NH1 2.72Å; D127-R142 IonicContact OD2-NH1 2.62Å; D127-R142 PolarHBondContact OD2-NH1 2.86Å; Y138-R142 PolarHBondContact O-N 2.98Å; A140-R142 VanDerWaalsContact C-N 3.3Å; A140-R142 PolarHBondContact O-N 2.79Å
143	T	91.6	Very high	89.3	Confident	60 Å²	60	81.2 Å²	81.2	37%	0.368	42%	0.421	S	S	.	.			trans	-110.1	155.6	-178.3	63.1	0	0	0	0	111.7	K145 R146 A147	T143-K145 VanDerWaalsContact C-N 3.28Å; T143-K145 PolarHBondContact O-N 3.01Å; T143-R146 PolarHBondContact O-N 3.39Å; T143-R146 WeakPolarHBondContact OG1-CG 3.46Å; T143-R146 PolarHBondContact OG1-N 3.31Å; T143-A147 PolarHBondContact O-N 2.91Å
144	P	89.7	Confident	89.7	Confident	64 Å²	64	79.5 Å²	79.5	42%	0.416	41%	0.411	S	S	.	.	H	α-helix	trans	-62.8	-32.8	175.7	25.1	-34	0	0	0	112.5	Y67 R146 A147 G148	Y67-P144 HydrophobicContact CE2-CB 4Å; P144-R146 VanDerWaalsContact C-N 3.33Å; P144-R146 PolarHBondContact O-N 3.22Å; P144-A147 PolarHBondContact O-N 3.28Å; P144-G148 PolarHBondContact O-N 3.27Å
145	K	92.3	Very high	90.3	Very high	179 Å²	179	75.7 Å²	75.7	78%	0.778	40%	0.397	S	S	*	.	H	α-helix	trans	-56.9	-44.6	173.5	-68	-167.2	177	-171.1	0	111.8	T143 G148 I149	T143-K145 VanDerWaalsContact C-N 3.28Å; T143-K145 PolarHBondContact O-N 3.01Å; K145-G148 PolarHBondContact O-N 3.09Å; K145-I149 WeakPolarHBondContact O-CG1 3.3Å; K145-I149 PolarHBondContact O-N 3.27Å; K145-I149 VanDerWaalsContact O-N 3.09Å
146	R	91.8	Very high	91.1	Very high	141 Å²	141	77.6 Å²	77.6	53%	0.532	40%	0.403	S	S	.	.	H	α-helix	trans	-66.3	-40.4	178.2	-75.6	175.8	170.1	175.1	-7.1	112.8	K141 T143 P144 G148 I149 M150	K141-R146 PolarHBondContact O-NH1 3.3Å; T143-R146 PolarHBondContact O-N 3.39Å; T143-R146 WeakPolarHBondContact OG1-CG 3.46Å; T143-R146 PolarHBondContact OG1-N 3.31Å; P144-R146 VanDerWaalsContact C-N 3.33Å; P144-R146 PolarHBondContact O-N 3.22Å; R146-G148 VanDerWaalsContact C-N 3.34Å; R146-I149 PolarHBondContact O-N 3.43Å; R146-M150 WeakPolarHBondContact O-CG 3.45Å; R146-M150 PolarHBondContact O-N 3.15Å
147	A	92.3	Very high	91.8	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.008	39%	0.386	C	S	.	.	H	α-helix	trans	-63.7	-39.3	173.6	0	0	0	0	0	112	V64 Y68 T143 P144 I149 M150 I151	V64-A147 HydrophobicContact CG1-CB 3.48Å; V64-A147 VanDerWaalsContact CG1-CB 3.48Å; Y68-A147 HydrophobicContact CE1-CB 3.8Å; Y68-A147 HydrophobicContact CE2-CB 4.3Å; Y68-A147 WeakPolarHBondContact OH-CB 3.22Å; T143-A147 PolarHBondContact O-N 2.91Å; P144-A147 PolarHBondContact O-N 3.28Å; A147-I149 VanDerWaalsContact C-N 3.34Å; A147-I149 PolarHBondContact O-N 3.21Å; A147-M150 PolarHBondContact O-N 2.95Å; A147-I151 WeakPolarHBondContact O-CB 3.29Å; A147-I151 WeakPolarHBondContact O-CD1 3.41Å; A147-I151 VanDerWaalsContact O-CG1 3.28Å; A147-I151 WeakPolarHBondContact O-CG1 3.42Å; A147-I151 PolarHBondContact O-N 3.22Å
148	G	94.3	Very high	92.2	Very high	38 Å²	38	70 Å²	70	39%	0.392	36%	0.36	S	S	.	.	H	α-helix	trans	-59	-41.5	173.3	0	0	0	0	0	113.1	P144 K145 R146 I151 G152	P144-G148 PolarHBondContact O-N 3.27Å; K145-G148 PolarHBondContact O-N 3.09Å; R146-G148 VanDerWaalsContact C-N 3.34Å; G148-I151 PolarHBondContact O-N 3.4Å; G148-G152 PolarHBondContact O-N 3.01Å
149	I	95	Very high	92.7	Very high	109 Å²	109	72.9 Å²	72.9	56%	0.559	37%	0.373	S	S	*	.	H	α-helix	trans	-64.1	-45.8	174	-63.1	168	0	0	0	110.9	K145 R146 A147 I151 G152 L153	K145-I149 WeakPolarHBondContact O-CG1 3.3Å; K145-I149 PolarHBondContact O-N 3.27Å; K145-I149 VanDerWaalsContact O-N 3.09Å; R146-I149 PolarHBondContact O-N 3.43Å; A147-I149 VanDerWaalsContact C-N 3.34Å; A147-I149 PolarHBondContact O-N 3.21Å; I149-I151 VanDerWaalsContact C-N 3.3Å; I149-I151 PolarHBondContact O-N 3.47Å; I149-G152 PolarHBondContact O-N 3.41Å; I149-L153 HydrophobicContact CG2-CD1 4.03Å; I149-L153 HydrophobicContact CG2-CG 4.43Å; I149-L153 WeakPolarHBondContact O-CG 3.21Å; I149-L153 PolarHBondContact O-N 2.87Å
150	M	94	Very high	93.3	Very high	58 Å²	58	72.9 Å²	72.9	29%	0.286	38%	0.38	S	S	.	.	H	α-helix	trans	-62.4	-36.4	177.9	-67.1	175.6	75.5	0	0	112.5	Y68 V123 R146 A147 A154	Y68-M150 HydrophobicContact CE1-CB 4.32Å; V123-M150 HydrophobicContact CG1-CB 4.14Å; V123-M150 HydrophobicContact CG1-CE 4.15Å; R146-M150 WeakPolarHBondContact O-CG 3.45Å; R146-M150 PolarHBondContact O-N 3.15Å; A147-M150 PolarHBondContact O-N 2.95Å; M150-A154 PolarHBondContact O-N 3.01Å; M150-A154 VanDerWaalsContact O-N 3.12Å
151	I	96.5	Very high	93.6	Very high	23 Å²	23	72.8 Å²	72.8	12%	0.118	37%	0.368	C	S	.	.	H	α-helix	trans	-66.6	-49.5	172.6	-71.3	162.4	0	0	0	110.6	Y68 S71 A147 G148 I149 L153 A154 W155	Y68-I151 HydrophobicContact CD1-CD1 3.78Å; Y68-I151 HydrophobicContact CD1-CG1 3.61Å; Y68-I151 HydrophobicContact CE1-CD1 4.28Å; Y68-I151 HydrophobicContact CE1-CG1 4.04Å; S71-I151 VanDerWaalsContact OG-CG2 3.29Å; S71-I151 WeakPolarHBondContact OG-CG2 3.39Å; A147-I151 WeakPolarHBondContact O-CB 3.29Å; A147-I151 WeakPolarHBondContact O-CD1 3.41Å; A147-I151 VanDerWaalsContact O-CG1 3.28Å; A147-I151 WeakPolarHBondContact O-CG1 3.42Å; A147-I151 PolarHBondContact O-N 3.22Å; G148-I151 PolarHBondContact O-N 3.4Å; I149-I151 VanDerWaalsContact C-N 3.3Å; I149-I151 PolarHBondContact O-N 3.47Å; I151-L153 VanDerWaalsContact C-N 3.29Å; I151-L153 PolarHBondContact O-N 3.34Å; I151-A154 WeakPolarHBondContact O-CB 3.28Å; I151-A154 PolarHBondContact O-N 2.97Å; I151-W155 PolarHBondContact O-N 2.94Å
152	G	96.6	Very high	94.1	Very high	38 Å²	38	66.7 Å²	66.7	39%	0.392	34%	0.341	S	S	.	.	H	α-helix	trans	-58	-41.4	179.2	0	0	0	0	0	112.5	G148 I149 W155 L156	G148-G152 PolarHBondContact O-N 3.01Å; I149-G152 PolarHBondContact O-N 3.41Å; G152-W155 PolarHBondContact O-N 2.83Å; G152-L156 VanDerWaalsContact O-CB 3.23Å; G152-L156 WeakPolarHBondContact O-CB 3.42Å; G152-L156 PolarHBondContact O-N 3.31Å
153	L	96.1	Very high	94.5	Very high	89 Å²	89	64.7 Å²	64.7	47%	0.466	34%	0.335	S	S	.	.	H	α-helix	trans	-64.5	-40.3	173.3	-69.6	171.2	0	0	0	112.5	I149 I151 W155 L156 I157	I149-L153 HydrophobicContact CG2-CD1 4.03Å; I149-L153 HydrophobicContact CG2-CG 4.43Å; I149-L153 WeakPolarHBondContact O-CG 3.21Å; I149-L153 PolarHBondContact O-N 2.87Å; I151-L153 VanDerWaalsContact C-N 3.29Å; I151-L153 PolarHBondContact O-N 3.34Å; L153-W155 VanDerWaalsContact C-N 3.35Å; L153-W155 PolarHBondContact O-N 2.88Å; L153-L156 PolarHBondContact O-N 3.2Å; L153-I157 WeakPolarHBondContact O-CB 3.38Å; L153-I157 WeakPolarHBondContact O-CD1 3.36Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 3.28Å
154	A	95.4	Very high	94.6	Very high	3 Å²	3	64.7 Å²	64.7	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-42.2	176.4	0	0	0	0	0	112.2	M119 V123 M150 I151 S158	M119-A154 HydrophobicContact CB-CB 3.87Å; V123-A154 HydrophobicContact CG2-CB 4.38Å; M150-A154 PolarHBondContact O-N 3.01Å; M150-A154 VanDerWaalsContact O-N 3.12Å; I151-A154 WeakPolarHBondContact O-CB 3.28Å; I151-A154 PolarHBondContact O-N 2.97Å; A154-S158 WeakPolarHBondContact O-CB 3.49Å; A154-S158 PolarHBondContact O-N 3.15Å; A154-S158 PolarHBondContact O-OG 3.07Å
155	W	97.9	Very high	94.7	Very high	65 Å²	65	63.1 Å²	63.1	25%	0.246	33%	0.328	C	S	.	.	H	α-helix	trans	-69.5	-45.2	174.3	-79.4	92	0	0	0	112.5	S71 A75 I78 A116 I151 G152 L153 S158 F159	S71-W155 PolarHBondContact OG-NE1 3.03Å; A75-W155 HydrophobicContact CB-CH2 3.81Å; A75-W155 HydrophobicContact CB-CZ2 3.75Å; I78-W155 HydrophobicContact CD1-CH2 4.04Å; I78-W155 HydrophobicContact CD1-CZ3 4.46Å; A116-W155 HydrophobicContact CB-CD2 3.71Å; A116-W155 HydrophobicContact CB-CE3 3.69Å; A116-W155 HydrophobicContact CB-CG 4.33Å; A116-W155 HydrophobicContact CB-CH2 4.08Å; A116-W155 HydrophobicContact CB-CZ2 4.11Å; A116-W155 HydrophobicContact CB-CZ3 3.88Å; I151-W155 PolarHBondContact O-N 2.94Å; G152-W155 PolarHBondContact O-N 2.83Å; L153-W155 VanDerWaalsContact C-N 3.35Å; L153-W155 PolarHBondContact O-N 2.88Å; W155-S158 PolarHBondContact O-N 3.38Å; W155-F159 WeakPolarHBondContact O-CB 3.34Å; W155-F159 PolarHBondContact O-N 3.49Å
156	L	96.9	Very high	94.8	Very high	93 Å²	93	55.2 Å²	55.2	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-44.7	-179	-177.5	63	0	0	0	112.2	G152 L153 S158 F159 I160	G152-L156 VanDerWaalsContact O-CB 3.23Å; G152-L156 WeakPolarHBondContact O-CB 3.42Å; G152-L156 PolarHBondContact O-N 3.31Å; L153-L156 PolarHBondContact O-N 3.2Å; L156-S158 VanDerWaalsContact C-N 3.34Å; L156-F159 PolarHBondContact O-N 2.89Å; L156-I160 HydrophobicContact CD1-CD1 3.77Å; L156-I160 HydrophobicContact CD1-CG1 4.22Å; L156-I160 HydrophobicContact CG-CD1 3.83Å; L156-I160 WeakPolarHBondContact O-CB 3.31Å; L156-I160 VanDerWaalsContact O-CG1 3.31Å; L156-I160 WeakPolarHBondContact O-CG1 3.42Å; L156-I160 PolarHBondContact O-N 3.09Å
157	I	94.4	Very high	94.9	Very high	81 Å²	81	50.9 Å²	50.9	42%	0.415	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-43.3	175.2	-68.1	165.3	0	0	0	110.3	M119 L153 F159 L161	M119-I157 HydrophobicContact CE-CD1 4.39Å; M119-I157 HydrophobicContact CE-CG2 4.23Å; L153-I157 WeakPolarHBondContact O-CB 3.38Å; L153-I157 WeakPolarHBondContact O-CD1 3.36Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 3.28Å; I157-F159 PolarHBondContact O-N 2.74Å; I157-L161 VanDerWaalsContact O-CB 3.24Å; I157-L161 WeakPolarHBondContact O-CB 3.43Å; I157-L161 PolarHBondContact O-N 3.18Å
158	S	96.2	Very high	94.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-41.9	178.4	-57	0	0	0	0	112.1	N115 A116 A154 W155 L156 W162	N115-S158 WeakPolarHBondContact ND2-CB 3.41Å; N115-S158 PolarHBondContact ND2-OG 3.25Å; N115-S158 PolarHBondContact O-OG 3.32Å; A116-S158 VanDerWaalsContact CA-OG 3.32Å; A116-S158 WeakPolarHBondContact CA-OG 3.45Å; A116-S158 PolarHBondContact N-OG 2.78Å; A154-S158 WeakPolarHBondContact O-CB 3.49Å; A154-S158 PolarHBondContact O-N 3.15Å; A154-S158 PolarHBondContact O-OG 3.07Å; W155-S158 PolarHBondContact O-N 3.38Å; L156-S158 VanDerWaalsContact C-N 3.34Å; S158-W162 PolarHBondContact O-N 3.44Å
159	F	96.7	Very high	94.8	Very high	116 Å²	116	55.1 Å²	55.1	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-64.1	-52.3	176.6	-178.1	-96.1	0	0	0	111.8	V112 W155 L156 I157 L161 W162 A163 P164	V112-F159 HydrophobicContact CG1-CB 4.21Å; V112-F159 HydrophobicContact CG1-CD2 4.38Å; V112-F159 HydrophobicContact CG2-CD2 4.44Å; W155-F159 WeakPolarHBondContact O-CB 3.34Å; W155-F159 PolarHBondContact O-N 3.49Å; L156-F159 PolarHBondContact O-N 2.89Å; I157-F159 PolarHBondContact O-N 2.74Å; F159-L161 VanDerWaalsContact C-N 3.3Å; F159-L161 PolarHBondContact O-N 2.98Å; F159-W162 PolarHBondContact O-N 2.85Å; F159-A163 HydrophobicContact CD2-CB 3.87Å; F159-A163 HydrophobicContact CE2-CB 3.68Å; F159-A163 HydrophobicContact CG-CB 4.43Å; F159-A163 HydrophobicContact CZ-CB 4.1Å; F159-A163 WeakPolarHBondContact O-CB 3.36Å; F159-A163 PolarHBondContact O-N 2.93Å; F159-P164 WeakPolarHBondContact O-CD 3.3Å
160	I	95	Very high	94.5	Very high	105 Å²	105	51.5 Å²	51.5	54%	0.538	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-36.4	-178.3	-68.6	171.4	0	0	0	111.8	L156 P164	L156-I160 HydrophobicContact CD1-CD1 3.77Å; L156-I160 HydrophobicContact CD1-CG1 4.22Å; L156-I160 HydrophobicContact CG-CD1 3.83Å; L156-I160 WeakPolarHBondContact O-CB 3.31Å; L156-I160 VanDerWaalsContact O-CG1 3.31Å; L156-I160 WeakPolarHBondContact O-CG1 3.42Å; L156-I160 PolarHBondContact O-N 3.09Å; I160-P164 WeakPolarHBondContact O-CD 3.34Å
161	L	90.9	Very high	94.3	Very high	76 Å²	76	57.3 Å²	57.3	40%	0.398	29%	0.294	S	S	.	.	H	α-helix	trans	-73.2	-39.4	-178.4	-165.3	151.8	0	0	0	112.5	I157 F159 A165	I157-L161 VanDerWaalsContact O-CB 3.24Å; I157-L161 WeakPolarHBondContact O-CB 3.43Å; I157-L161 PolarHBondContact O-N 3.18Å; F159-L161 VanDerWaalsContact C-N 3.3Å; F159-L161 PolarHBondContact O-N 2.98Å; L161-A165 WeakPolarHBondContact O-CB 3.14Å
162	W	94.6	Very high	94	Very high	15 Å²	15	62.7 Å²	62.7	6%	0.057	32%	0.322	C	S	.	.	H	α-helix	trans	-104.1	-45.5	-172.4	-70	105.4	0	0	0	115.1	Y111 V112 N115 S158 F159 A165 I166 F187 A201	Y111-W162 AromaticContact CD1-CD2 3.97Å; Y111-W162 HydrophobicContact CD1-CD2 3.97Å; Y111-W162 AromaticContact CD1-CE3 3.57Å; Y111-W162 HydrophobicContact CD1-CE3 3.57Å; Y111-W162 AromaticContact CD1-CH2 3.77Å; Y111-W162 HydrophobicContact CD1-CH2 3.77Å; Y111-W162 HydrophobicContact CD1-CZ2 4.13Å; Y111-W162 AromaticContact CD1-CZ3 3.46Å; Y111-W162 HydrophobicContact CD1-CZ3 3.46Å; Y111-W162 VanDerWaalsContact CD1-CZ3 3.46Å; Y111-W162 HydrophobicContact CE1-CE3 4.41Å; Y111-W162 HydrophobicContact CE1-CH2 4.08Å; Y111-W162 AromaticContact CE1-CZ3 3.89Å; Y111-W162 HydrophobicContact CE1-CZ3 3.89Å; Y111-W162 HydrophobicContact CG-CD2 4.4Å; Y111-W162 HydrophobicContact CG-CE3 4.09Å; Y111-W162 HydrophobicContact CG-CZ3 4.38Å; V112-W162 HydrophobicContact CG2-CB 3.84Å; N115-W162 PolarHBondContact OD1-NE1 2.96Å; S158-W162 PolarHBondContact O-N 3.44Å; F159-W162 PolarHBondContact O-N 2.85Å; W162-A165 PolarHBondContact O-N 3.07Å; W162-I166 HydrophobicContact CB-CD1 4.35Å; W162-I166 HydrophobicContact CE3-CD1 4.22Å; W162-I166 WeakPolarHBondContact O-CB 3.41Å; W162-I166 VanDerWaalsContact O-CG1 3.29Å; W162-I166 WeakPolarHBondContact O-CG1 3.47Å; W162-I166 PolarHBondContact O-N 3.09Å; W162-F187 HydrophobicContact CE3-CZ 4.04Å; W162-F187 HydrophobicContact CZ3-CE2 4.08Å; W162-F187 AromaticContact CZ3-CZ 3.81Å; W162-F187 HydrophobicContact CZ3-CZ 3.81Å; W162-A201 HydrophobicContact CZ2-CB 3.81Å
163	A	95.5	Very high	93.6	Very high	5 Å²	5	63.8 Å²	63.8	4%	0.041	32%	0.321	C	S	.	.	H	α-helix	trans	-68	-48.7	-171.3	0	0	0	0	0	113.6	A108 V112 F159 A165 I166 L167	A108-A163 HydrophobicContact CB-CB 4.33Å; V112-A163 HydrophobicContact CG2-CB 3.95Å; F159-A163 HydrophobicContact CD2-CB 3.87Å; F159-A163 HydrophobicContact CE2-CB 3.68Å; F159-A163 HydrophobicContact CG-CB 4.43Å; F159-A163 HydrophobicContact CZ-CB 4.1Å; F159-A163 WeakPolarHBondContact O-CB 3.36Å; F159-A163 PolarHBondContact O-N 2.93Å; A163-A165 VanDerWaalsContact C-N 3.3Å; A163-A165 PolarHBondContact O-N 2.71Å; A163-I166 PolarHBondContact O-N 3.07Å; A163-L167 WeakPolarHBondContact O-CB 3.3Å; A163-L167 VanDerWaalsContact O-CG 3.25Å; A163-L167 WeakPolarHBondContact O-CG 3.37Å; A163-L167 PolarHBondContact O-N 3.38Å
164	P	94.8	Very high	93.3	Very high	59 Å²	59	62.8 Å²	62.8	38%	0.383	33%	0.332	S	S	.	.	H	α-helix	trans	-60.1	-39.3	172.7	-23.5	34	0	0	0	112.6	F159 I160 I166 C168	F159-P164 WeakPolarHBondContact O-CD 3.3Å; I160-P164 WeakPolarHBondContact O-CD 3.34Å; P164-I166 PolarHBondContact O-N 3.1Å; P164-C168 VanDerWaalsContact O-CB 3.23Å; P164-C168 WeakPolarHBondContact O-CB 3.5Å; P164-C168 PolarHBondContact O-N 3.01Å
165	A	92.4	Very high	93	Very high	31 Å²	31	69 Å²	69	26%	0.256	36%	0.359	S	S	.	.	H	α-helix	trans	-65.7	-36.9	179.6	0	0	0	0	0	112.5	L161 W162 A163 W169 F187	L161-A165 WeakPolarHBondContact O-CB 3.14Å; W162-A165 PolarHBondContact O-N 3.07Å; A163-A165 VanDerWaalsContact C-N 3.3Å; A163-A165 PolarHBondContact O-N 2.71Å; A165-W169 VanDerWaalsContact O-CB 3.31Å; A165-W169 WeakPolarHBondContact O-CB 3.45Å; A165-F187 HydrophobicContact CB-CE1 3.81Å; A165-F187 HydrophobicContact CB-CZ 4.16Å; A165-F187 WeakPolarHBondContact O-CD1 3.2Å; A165-F187 WeakPolarHBondContact O-CE1 3.44Å
166	I	93.8	Very high	92.4	Very high	14 Å²	14	69.2 Å²	69.2	7%	0.072	36%	0.359	C	S	.	.	H	α-helix	trans	-78.4	-49	178.4	-68.8	166	0	0	0	110.9	L107 A108 Y111 W162 A163 P164 I185 F187	L107-I166 HydrophobicContact CB-CG2 4.02Å; A108-I166 HydrophobicContact CB-CB 4.41Å; A108-I166 HydrophobicContact CB-CG2 4.21Å; Y111-I166 HydrophobicContact CD2-CD1 4.27Å; Y111-I166 HydrophobicContact CG-CD1 4.09Å; W162-I166 HydrophobicContact CB-CD1 4.35Å; W162-I166 HydrophobicContact CE3-CD1 4.22Å; W162-I166 WeakPolarHBondContact O-CB 3.41Å; W162-I166 VanDerWaalsContact O-CG1 3.29Å; W162-I166 WeakPolarHBondContact O-CG1 3.47Å; W162-I166 PolarHBondContact O-N 3.09Å; A163-I166 PolarHBondContact O-N 3.07Å; P164-I166 PolarHBondContact O-N 3.1Å; I166-I185 HydrophobicContact CD1-CD1 3.58Å; I166-I185 HydrophobicContact CD1-CG1 4.36Å; I166-I185 HydrophobicContact CG1-CD1 3.77Å; I166-I185 HydrophobicContact CG1-CG1 4.22Å; I166-I185 HydrophobicContact CG1-CG2 4.42Å; I166-F187 HydrophobicContact CG1-CE1 3.91Å; I166-F187 HydrophobicContact CG1-CZ 4.31Å
167	L	93.3	Very high	92	Very high	50 Å²	50	68.6 Å²	68.6	26%	0.262	36%	0.36	S	S	.	.	H	α-helix	trans	-73	-38.9	-172.5	-61.7	174.6	0	0	0	112.9	D104 L105 A108 A163 Q170	D104-L167 HydrophobicContact CB-CD2 3.89Å; L105-L167 HydrophobicContact CD2-CD2 4.2Å; A108-L167 HydrophobicContact CB-CD1 4.48Å; A108-L167 HydrophobicContact CB-CD2 4.06Å; A108-L167 HydrophobicContact CB-CG 4.12Å; A163-L167 WeakPolarHBondContact O-CB 3.3Å; A163-L167 VanDerWaalsContact O-CG 3.25Å; A163-L167 WeakPolarHBondContact O-CG 3.37Å; A163-L167 PolarHBondContact O-N 3.38Å; L167-Q170 PolarHBondContact O-NE2 2.96Å
168	C	93.1	Very high	91.7	Very high	56 Å²	56	65.4 Å²	65.4	38%	0.378	34%	0.344	S	S	.	.	H	α-helix	trans	-98.4	-8.8	-168.9	-57.7	0	0	0	0	115.1	P164 Q170 Y171 L172	P164-C168 VanDerWaalsContact O-CB 3.23Å; P164-C168 WeakPolarHBondContact O-CB 3.5Å; P164-C168 PolarHBondContact O-N 3.01Å; C168-Q170 VanDerWaalsContact C-N 3.29Å; C168-Q170 PolarHBondContact O-N 3.34Å; C168-Y171 HydrophobicContact CB-CD2 4.41Å; C168-Y171 WeakPolarHBondContact O-CB 3.36Å; C168-Y171 PolarHBondContact O-N 3.2Å; C168-L172 PolarHBondContact O-N 3.11Å
169	W	91.4	Very high	91.3	Very high	72 Å²	72	68.4 Å²	68.4	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-59.9	-37.6	-177.1	-170.5	-99.3	0	0	0	113.2	A165 Y171 L172 V173 F187 I193	A165-W169 VanDerWaalsContact O-CB 3.31Å; A165-W169 WeakPolarHBondContact O-CB 3.45Å; W169-Y171 PolarHBondContact O-N 2.85Å; W169-L172 HydrophobicContact CE3-CD1 4.19Å; W169-L172 PolarHBondContact O-N 3.32Å; W169-L172 VanDerWaalsContact O-N 3.15Å; W169-V173 HydrophobicContact CD2-CG2 4.25Å; W169-V173 HydrophobicContact CG-CG2 4.34Å; W169-V173 HydrophobicContact CZ2-CG2 4.19Å; W169-V173 WeakPolarHBondContact O-CG2 3.08Å; W169-V173 PolarHBondContact O-N 3.03Å; W169-F187 HydrophobicContact CD2-CB 3.83Å; W169-F187 HydrophobicContact CD2-CD1 4.47Å; W169-F187 HydrophobicContact CE3-CB 4.33Å; W169-F187 HydrophobicContact CG-CB 4.18Å; W169-F187 HydrophobicContact CG-CD1 4.41Å; W169-F187 HydrophobicContact CH2-CB 4.46Å; W169-F187 HydrophobicContact CZ2-CB 3.96Å; W169-I193 HydrophobicContact CH2-CD1 3.63Å; W169-I193 HydrophobicContact CZ2-CD1 3.83Å
170	Q	89.5	Confident	90.8	Very high	33 Å²	33	70 Å²	70	15%	0.154	38%	0.376	C	S	.	.	H	α-helix	trans	-61.4	-27.3	175	64.5	-162.8	-38.7	0	0	113.5	D104 L167 C168 G174 K175 R176	D104-Q170 PolarHBondContact OD2-NE2 3.44Å; L167-Q170 PolarHBondContact O-NE2 2.96Å; C168-Q170 VanDerWaalsContact C-N 3.29Å; C168-Q170 PolarHBondContact O-N 3.34Å; Q170-G174 CarbonylContact O-C 3.6Å; Q170-G174 PolarHBondContact O-N 3.08Å; Q170-K175 PolarHBondContact O-N 3.11Å; Q170-K175 VanDerWaalsContact O-N 3.13Å; Q170-R176 HydrophobicContact CB-CB 4.45Å
171	Y	90.3	Very high	90.5	Very high	180 Å²	180	68.8 Å²	68.8	71%	0.706	37%	0.371	S	S	*	.	H	α-helix	trans	-82.7	-38	173.1	-53.5	-56.3	0	0	0	112.1	C168 W169 V173 G174	C168-Y171 HydrophobicContact CB-CD2 4.41Å; C168-Y171 WeakPolarHBondContact O-CB 3.36Å; C168-Y171 PolarHBondContact O-N 3.2Å; W169-Y171 PolarHBondContact O-N 2.85Å; Y171-V173 VanDerWaalsContact C-N 3.33Å; Y171-V173 PolarHBondContact O-N 3.47Å; Y171-G174 PolarHBondContact O-N 2.7Å
172	L	88.5	Confident	90.4	Very high	135 Å²	135	69 Å²	69	71%	0.707	37%	0.37	S	S	*	.	H	α-helix	trans	-63.6	-37.1	175.6	-67.4	174.1	0	0	0	112.7	C168 W169	C168-L172 PolarHBondContact O-N 3.11Å; W169-L172 HydrophobicContact CE3-CD1 4.19Å; W169-L172 PolarHBondContact O-N 3.32Å; W169-L172 VanDerWaalsContact O-N 3.15Å
173	V	88.9	Confident	90.3	Very high	62 Å²	62	68.6 Å²	68.6	38%	0.376	37%	0.37	S	S	.	.	S	Bend	trans	-88.6	-9.3	177	-177.4	0	0	0	0	111.9	W169 Y171 K175	W169-V173 HydrophobicContact CD2-CG2 4.25Å; W169-V173 HydrophobicContact CG-CG2 4.34Å; W169-V173 HydrophobicContact CZ2-CG2 4.19Å; W169-V173 WeakPolarHBondContact O-CG2 3.08Å; W169-V173 PolarHBondContact O-N 3.03Å; Y171-V173 VanDerWaalsContact C-N 3.33Å; Y171-V173 PolarHBondContact O-N 3.47Å; V173-K175 HydrophobicContact CG1-CG 3.95Å; V173-K175 PolarHBondContact O-N 3.13Å; V173-K175 VanDerWaalsContact O-N 3.15Å
174	G	89.7	Confident	90	Very high	67 Å²	67	72.4 Å²	72.4	69%	0.691	39%	0.386	S	S	*	.	S	Bend	trans	67.8	3.9	-178	0	0	0	0	0	115.4	Q170 Y171	Q170-G174 CarbonylContact O-C 3.6Å; Q170-G174 PolarHBondContact O-N 3.08Å; Y171-G174 PolarHBondContact O-N 2.7Å
175	K	88.7	Confident	89.8	Confident	134 Å²	134	70 Å²	70	58%	0.583	37%	0.37	S	S	*	.	S	Bend	trans	-153.1	144.9	179.1	57.7	176.5	178.9	-178.1	0	111.6	Q170 V173 T177 Q186	Q170-K175 PolarHBondContact O-N 3.11Å; Q170-K175 VanDerWaalsContact O-N 3.13Å; V173-K175 HydrophobicContact CG1-CG 3.95Å; V173-K175 PolarHBondContact O-N 3.13Å; V173-K175 VanDerWaalsContact O-N 3.15Å; K175-T177 HydrophobicContact CD-CG2 4.17Å; K175-T177 HydrophobicContact CG-CG2 4.24Å; K175-Q186 PolarHBondContact O-NE2 2.9Å
176	R	86.5	Confident	89.6	Confident	69 Å²	69	69.7 Å²	69.7	26%	0.26	36%	0.363	S	S	.	.			trans	-85.9	123.3	166.6	-171.1	-177.7	-172	92.4	1.5	109.1	D104 Q170 V178	D104-R176 IonicContact OD1-CZ 3.19Å; D104-R176 VanDerWaalsContact OD1-CZ 3.28Å; D104-R176 IonicContact OD1-NH1 2.86Å; D104-R176 PolarHBondContact OD1-NH1 2.94Å; D104-R176 IonicContact OD1-NH2 3.77Å; D104-R176 PolarHBondContact OD1-NH2 2.84Å; D104-R176 IonicContact OD2-CZ 3.84Å; D104-R176 IonicContact OD2-NH1 3.84Å; D104-R176 PolarHBondContact OD2-NH1 3.08Å; D104-R176 IonicContact OD2-NH2 3.82Å; Q170-R176 HydrophobicContact CB-CB 4.45Å; R176-V178 HydrophobicContact CG-CB 4.38Å
177	T	87.4	Confident	89.2	Confident	81 Å²	81	69.4 Å²	69.4	50%	0.497	36%	0.362	S	S	.	.			trans	-105	2.1	177.3	56.2	0	0	0	0	113.6	K175 Q186	K175-T177 HydrophobicContact CD-CG2 4.17Å; K175-T177 HydrophobicContact CG-CG2 4.24Å; T177-Q186 WeakPolarHBondContact OG1-CG 3.42Å; T177-Q186 PolarHBondContact OG1-NE2 3.39Å
178	V	88.5	Confident	88.8	Confident	14 Å²	14	69.1 Å²	69.1	9%	0.085	36%	0.36	C	S	.	.	S	Bend	trans	-83.1	129.3	174.5	-175.1	0	0	0	0	109.3	R176 E182 Q184 Q186	R176-V178 HydrophobicContact CG-CB 4.38Å; V178-E182 HydrophobicContact CG1-CB 4.49Å; V178-Q184 HydrophobicContact CG1-CG 3.99Å; V178-Q184 WeakPolarHBondContact CG2-O 3.27Å; V178-Q186 HydrophobicContact CG2-CB 3.88Å; V178-Q186 HydrophobicContact CG2-CG 4.13Å
179	P	88.8	Confident	88.3	Confident	62 Å²	62	70 Å²	70	40%	0.403	37%	0.367	S	S	.	.			trans	-57.7	160.4	175.4	-25.6	35.5	0	0	0	113.9	E182	P179-E182 HydrophobicContact CB-CB 4.16Å; P179-E182 HydrophobicContact CB-CG 4.16Å; P179-E182 WeakPolarHBondContact CD-OE2 3.44Å; P179-E182 HydrophobicContact CG-CB 4.38Å; P179-E182 HydrophobicContact CG-CG 4.25Å; P179-E182 PolarHBondContact O-N 3.37Å
180	L	85.6	Confident	88	Confident	150 Å²	150	70.3 Å²	70.3	79%	0.785	37%	0.372	S	S	*	.	S	Bend	trans	-71.4	-35.3	-179	-68.2	176.4	0	0	0	113.6	E182	L180-E182 VanDerWaalsContact C-N 3.35Å
181	D	88.2	Confident	87.9	Confident	80 Å²	80	71.3 Å²	71.3	43%	0.428	38%	0.381	S	S	.	.	S	Bend	trans	-85.5	-3.1	178.2	-68.3	-84.2	0	0	0	113.1	R95 W96	R95-D181 CarbonylContact C-O 3.49Å; R95-D181 WeakPolarHBondContact CA-O 3.3Å; R95-D181 HydrophobicContact CB-CB 3.88Å; R95-D181 VanDerWaalsContact CB-O 3.28Å; R95-D181 WeakPolarHBondContact CB-O 3.42Å; R95-D181 WeakPolarHBondContact CD-OD1 3.48Å; R95-D181 IonicContact CZ-OD1 2.68Å; R95-D181 IonicContact NE-OD1 2.77Å; R95-D181 IonicContact NH1-OD1 2.65Å; R95-D181 PolarHBondContact NH1-OD1 3.02Å; W96-D181 PolarHBondContact N-O 3.01Å
182	E	88.9	Confident	87.8	Confident	79 Å²	79	67.8 Å²	67.8	37%	0.369	38%	0.378	S	S	.	.			trans	-109.7	155.2	179.1	-69.6	-175.1	178.1	0	0	112.3	V178 P179 L180 Q184	V178-E182 HydrophobicContact CG1-CB 4.49Å; P179-E182 HydrophobicContact CB-CB 4.16Å; P179-E182 HydrophobicContact CB-CG 4.16Å; P179-E182 WeakPolarHBondContact CD-OE2 3.44Å; P179-E182 HydrophobicContact CG-CB 4.38Å; P179-E182 HydrophobicContact CG-CG 4.25Å; P179-E182 PolarHBondContact O-N 3.37Å; L180-E182 VanDerWaalsContact C-N 3.35Å; E182-Q184 PolarHBondContact OE2-NE2 3.2Å
183	C	91.9	Very high	87.8	Confident	8 Å²	8	64 Å²	64	5%	0.054	36%	0.358	C	S	.	.			trans	-133.2	104.2	167.3	-175	0	0	0	0	110.9	Y90 W96 C103 W106 L107	Y90-C183 HydrophobicContact CE2-CB 4.3Å; Y90-C183 PolarHBondContact OH-N 3.25Å; W96-C183 HydrophobicContact CB-CB 3.87Å; W96-C183 HydrophobicContact CD2-CB 3.85Å; W96-C183 HydrophobicContact CE3-CB 4.05Å; W96-C183 HydrophobicContact CG-CB 3.77Å; C103-C183 WeakPolarHBondContact CA-SG 3.27Å; C103-C183 HydrophobicContact CB-CB 3.9Å; C103-C183 WeakPolarHBondContact CB-SG 3.13Å; C103-C183 WeakPolarHBondContact SG-CA 3.28Å; C103-C183 WeakPolarHBondContact SG-CB 3.36Å; C103-C183 CovalentContact SG-SG 2.03Å; C103-C183 PolarHBondContact SG-SG 2.91Å; W106-C183 VanDerWaalsContact CE3-SG 3.54Å; W106-C183 HydrophobicContact CZ3-CB 3.95Å; W106-C183 WeakPolarHBondContact CZ3-SG 3.4Å; L107-C183 VanDerWaalsContact CD1-SG 3.59Å
184	Q	89.6	Confident	87.8	Confident	84 Å²	84	61.4 Å²	61.4	39%	0.393	34%	0.342	S	S	.	.			trans	-146.9	156.6	179.1	51.9	166	-36.8	0	0	110.7	V178 E182 Q186	V178-Q184 HydrophobicContact CG1-CG 3.99Å; V178-Q184 WeakPolarHBondContact CG2-O 3.27Å; E182-Q184 PolarHBondContact OE2-NE2 3.2Å; Q184-Q186 PolarHBondContact O-N 3.43Å
185	I	90.1	Very high	87.8	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.046	33%	0.327	C	S	.	.			trans	-75.7	121.5	-179	-67.2	-179.5	0	0	0	110.8	L107 Y111 I166 F187 L188	L107-I185 HydrophobicContact CB-CG1 4.33Å; L107-I185 HydrophobicContact CD1-CG1 3.94Å; L107-I185 HydrophobicContact CD2-CG1 4.39Å; L107-I185 HydrophobicContact CG-CG1 4.47Å; Y111-I185 HydrophobicContact CD1-CD1 3.98Å; Y111-I185 HydrophobicContact CD2-CD1 3.62Å; Y111-I185 HydrophobicContact CE1-CD1 3.73Å; Y111-I185 HydrophobicContact CE2-CD1 3.31Å; Y111-I185 HydrophobicContact CE2-CG1 4.19Å; Y111-I185 HydrophobicContact CG-CD1 3.93Å; I166-I185 HydrophobicContact CD1-CD1 3.58Å; I166-I185 HydrophobicContact CD1-CG1 4.36Å; I166-I185 HydrophobicContact CG1-CD1 3.77Å; I166-I185 HydrophobicContact CG1-CG1 4.22Å; I166-I185 HydrophobicContact CG1-CG2 4.42Å; I185-F187 VanDerWaalsContact C-N 3.34Å; I185-F187 HydrophobicContact CG2-CD1 3.45Å; I185-F187 VanDerWaalsContact CG2-CD1 3.45Å; I185-F187 HydrophobicContact CG2-CD2 4.02Å; I185-F187 HydrophobicContact CG2-CE1 3.34Å; I185-F187 HydrophobicContact CG2-CE2 3.94Å; I185-F187 HydrophobicContact CG2-CG 3.79Å; I185-F187 HydrophobicContact CG2-CZ 3.61Å; I185-F187 PolarHBondContact O-N 3.24Å; I185-L188 HydrophobicContact CB-CB 4.24Å; I185-L188 HydrophobicContact CB-CD1 4.01Å; I185-L188 HydrophobicContact CB-CG 4.02Å; I185-L188 HydrophobicContact CD1-CD1 4.02Å; I185-L188 HydrophobicContact CG2-CB 4.29Å; I185-L188 HydrophobicContact CG2-CD1 4.24Å; I185-L188 HydrophobicContact CG2-CG 3.83Å; I185-L188 PolarHBondContact O-N 2.94Å
186	Q	88.6	Confident	87.9	Confident	24 Å²	24	57.7 Å²	57.7	11%	0.112	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-58.7	-36	-175.2	-164.3	-178.8	-2.4	0	0	114.8	K175 T177 V178 Q184	K175-Q186 PolarHBondContact O-NE2 2.9Å; T177-Q186 WeakPolarHBondContact OG1-CG 3.42Å; T177-Q186 PolarHBondContact OG1-NE2 3.39Å; V178-Q186 HydrophobicContact CG2-CB 3.88Å; V178-Q186 HydrophobicContact CG2-CG 4.13Å; Q184-Q186 PolarHBondContact O-N 3.43Å
187	F	86.4	Confident	88	Confident	8 Å²	8	56 Å²	56	4%	0.035	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-83.4	-12.9	179.2	67.2	-104.5	0	0	0	113.9	W162 A165 I166 W169 I185 S189 E190 I193 T197	W162-F187 HydrophobicContact CE3-CZ 4.04Å; W162-F187 HydrophobicContact CZ3-CE2 4.08Å; W162-F187 AromaticContact CZ3-CZ 3.81Å; W162-F187 HydrophobicContact CZ3-CZ 3.81Å; A165-F187 HydrophobicContact CB-CE1 3.81Å; A165-F187 HydrophobicContact CB-CZ 4.16Å; A165-F187 WeakPolarHBondContact O-CD1 3.2Å; A165-F187 WeakPolarHBondContact O-CE1 3.44Å; I166-F187 HydrophobicContact CG1-CE1 3.91Å; I166-F187 HydrophobicContact CG1-CZ 4.31Å; W169-F187 HydrophobicContact CD2-CB 3.83Å; W169-F187 HydrophobicContact CD2-CD1 4.47Å; W169-F187 HydrophobicContact CE3-CB 4.33Å; W169-F187 HydrophobicContact CG-CB 4.18Å; W169-F187 HydrophobicContact CG-CD1 4.41Å; W169-F187 HydrophobicContact CH2-CB 4.46Å; W169-F187 HydrophobicContact CZ2-CB 3.96Å; I185-F187 VanDerWaalsContact C-N 3.34Å; I185-F187 HydrophobicContact CG2-CD1 3.45Å; I185-F187 VanDerWaalsContact CG2-CD1 3.45Å; I185-F187 HydrophobicContact CG2-CD2 4.02Å; I185-F187 HydrophobicContact CG2-CE1 3.34Å; I185-F187 HydrophobicContact CG2-CE2 3.94Å; I185-F187 HydrophobicContact CG2-CG 3.79Å; I185-F187 HydrophobicContact CG2-CZ 3.61Å; I185-F187 PolarHBondContact O-N 3.24Å; F187-S189 PolarHBondContact O-N 3.39Å; F187-E190 PolarHBondContact O-N 2.97Å; F187-I193 HydrophobicContact CB-CG2 4.4Å; F187-I193 HydrophobicContact CD2-CG2 3.76Å; F187-I193 HydrophobicContact CG-CG2 4.46Å; F187-T197 HydrophobicContact CE2-CG2 4.35Å
188	L	84.6	Confident	88.1	Confident	45 Å²	45	52.6 Å²	52.6	24%	0.236	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-83.6	2	173.8	-64.7	-176.7	0	0	0	112.8	Y111 I185 E190 T194	Y111-L188 HydrophobicContact CE1-CD1 4.21Å; I185-L188 HydrophobicContact CB-CB 4.24Å; I185-L188 HydrophobicContact CB-CD1 4.01Å; I185-L188 HydrophobicContact CB-CG 4.02Å; I185-L188 HydrophobicContact CD1-CD1 4.02Å; I185-L188 HydrophobicContact CG2-CB 4.29Å; I185-L188 HydrophobicContact CG2-CD1 4.24Å; I185-L188 HydrophobicContact CG2-CG 3.83Å; I185-L188 PolarHBondContact O-N 2.94Å; L188-E190 VanDerWaalsContact C-N 3.32Å; L188-T194 VanDerWaalsContact CA-OG1 3.3Å; L188-T194 WeakPolarHBondContact CA-OG1 3.46Å; L188-T194 HydrophobicContact CD2-CG2 4.31Å; L188-T194 PolarHBondContact O-OG1 3.46Å; L188-T194 VanDerWaalsContact O-OG1 3.08Å
189	S	81.6	Confident	88.3	Confident	73 Å²	73	54.6 Å²	54.6	51%	0.51	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-80.1	-12.6	165	-47.6	0	0	0	0	113	F187	F187-S189 PolarHBondContact O-N 3.39Å
190	E	86.1	Confident	88.3	Confident	80 Å²	80	54.2 Å²	54.2	37%	0.374	31%	0.307	S	S	.	.	S	Bend	trans	-96.6	114.6	177.7	169.5	47.7	-127.6	0	0	109.9	F187 L188 T192 I193 T194	F187-E190 PolarHBondContact O-N 2.97Å; L188-E190 VanDerWaalsContact C-N 3.32Å; E190-T192 VanDerWaalsContact C-N 3.27Å; E190-T192 PolarHBondContact O-N 2.96Å; E190-T192 WeakPolarHBondContact OE1-CB 3.43Å; E190-T192 PolarHBondContact OE1-N 2.77Å; E190-T192 PolarHBondContact OE1-OG1 2.98Å; E190-I193 HydrophobicContact CB-CB 4.38Å; E190-I193 HydrophobicContact CB-CD1 4.16Å; E190-I193 HydrophobicContact CB-CG1 4.34Å; E190-I193 HydrophobicContact CG-CB 4.14Å; E190-I193 HydrophobicContact CG-CD1 3.83Å; E190-I193 HydrophobicContact CG-CG1 3.74Å; E190-I193 PolarHBondContact O-N 2.68Å; E190-T194 VanDerWaalsContact O-CB 3.29Å; E190-T194 WeakPolarHBondContact O-CB 3.34Å; E190-T194 PolarHBondContact O-N 2.79Å; E190-T194 PolarHBondContact O-OG1 2.77Å
191	P	86.3	Confident	88.4	Confident	53 Å²	53	47.9 Å²	47.9	34%	0.344	28%	0.276	S	S	.	.	H	α-helix	trans	-54.3	-39.5	-177.2	-30.2	37.6	0	0	0	114	T194 F195 T466	P191-T194 PolarHBondContact O-N 2.81Å; P191-F195 VanDerWaalsContact O-CB 3.31Å; P191-F195 WeakPolarHBondContact O-CB 3.47Å; P191-F195 PolarHBondContact O-N 2.64Å; P191-T466 HydrophobicContact CB-CG2 4.4Å; P191-T466 WeakPolarHBondContact O-CG2 3.43Å
192	T	88	Confident	88.5	Confident	106 Å²	106	44.3 Å²	44.3	65%	0.65	26%	0.257	S	S	*	.	H	α-helix	trans	-65.5	-45	-175.9	-45.4	0	0	0	0	111.9	E190 G196	E190-T192 VanDerWaalsContact C-N 3.27Å; E190-T192 PolarHBondContact O-N 2.96Å; E190-T192 WeakPolarHBondContact OE1-CB 3.43Å; E190-T192 PolarHBondContact OE1-N 2.77Å; E190-T192 PolarHBondContact OE1-OG1 2.98Å; T192-G196 PolarHBondContact O-N 3.08Å
193	I	88.9	Confident	88.7	Confident	57 Å²	57	43.3 Å²	43.3	29%	0.292	25%	0.25	S	S	.	.	H	α-helix	trans	-72.3	-39.7	179.1	-60.3	174	0	0	0	109.9	W169 F187 E190 G196 T197	W169-I193 HydrophobicContact CH2-CD1 3.63Å; W169-I193 HydrophobicContact CZ2-CD1 3.83Å; F187-I193 HydrophobicContact CB-CG2 4.4Å; F187-I193 HydrophobicContact CD2-CG2 3.76Å; F187-I193 HydrophobicContact CG-CG2 4.46Å; E190-I193 HydrophobicContact CB-CB 4.38Å; E190-I193 HydrophobicContact CB-CD1 4.16Å; E190-I193 HydrophobicContact CB-CG1 4.34Å; E190-I193 HydrophobicContact CG-CB 4.14Å; E190-I193 HydrophobicContact CG-CD1 3.83Å; E190-I193 HydrophobicContact CG-CG1 3.74Å; E190-I193 PolarHBondContact O-N 2.68Å; I193-G196 PolarHBondContact O-N 2.85Å; I193-T197 HydrophobicContact CG2-CG2 4.18Å; I193-T197 WeakPolarHBondContact O-CB 3.28Å; I193-T197 WeakPolarHBondContact O-CG2 3.44Å; I193-T197 PolarHBondContact O-N 3.09Å; I193-T197 PolarHBondContact O-OG1 3.45Å
194	T	88.8	Confident	88.7	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.043	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-46.4	176.8	-58.9	0	0	0	0	111.8	L188 E190 P191 T197 A198 V462 T466	L188-T194 VanDerWaalsContact CA-OG1 3.3Å; L188-T194 WeakPolarHBondContact CA-OG1 3.46Å; L188-T194 HydrophobicContact CD2-CG2 4.31Å; L188-T194 PolarHBondContact O-OG1 3.46Å; L188-T194 VanDerWaalsContact O-OG1 3.08Å; E190-T194 VanDerWaalsContact O-CB 3.29Å; E190-T194 WeakPolarHBondContact O-CB 3.34Å; E190-T194 PolarHBondContact O-N 2.79Å; E190-T194 PolarHBondContact O-OG1 2.77Å; P191-T194 PolarHBondContact O-N 2.81Å; T194-T197 PolarHBondContact O-OG1 3.37Å; T194-T197 VanDerWaalsContact O-OG1 3.13Å; T194-A198 VanDerWaalsContact O-CB 3.29Å; T194-A198 WeakPolarHBondContact O-CB 3.49Å; T194-A198 PolarHBondContact O-N 2.96Å; T194-V462 HydrophobicContact CG2-CG1 3.44Å; T194-V462 VanDerWaalsContact CG2-CG1 3.44Å; T194-T466 HydrophobicContact CG2-CG2 3.63Å
195	F	89.5	Confident	88.8	Confident	86 Å²	86	43.8 Å²	43.8	38%	0.377	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-49.7	175.9	-178.8	-101	0	0	0	111.9	P191 A198 I199 L463 T466 F467	P191-F195 VanDerWaalsContact O-CB 3.31Å; P191-F195 WeakPolarHBondContact O-CB 3.47Å; P191-F195 PolarHBondContact O-N 2.64Å; F195-A198 PolarHBondContact O-N 3.23Å; F195-I199 HydrophobicContact CD1-CD1 3.84Å; F195-I199 HydrophobicContact CD2-CD1 4.35Å; F195-I199 HydrophobicContact CE1-CD1 3.4Å; F195-I199 VanDerWaalsContact CE1-CD1 3.4Å; F195-I199 HydrophobicContact CE2-CD1 3.95Å; F195-I199 HydrophobicContact CG-CD1 4.3Å; F195-I199 HydrophobicContact CZ-CD1 3.47Å; F195-I199 VanDerWaalsContact CZ-CD1 3.47Å; F195-I199 WeakPolarHBondContact O-CG1 3.41Å; F195-I199 PolarHBondContact O-N 3.04Å; F195-L463 HydrophobicContact CD2-CD1 3.73Å; F195-L463 HydrophobicContact CE2-CD1 3.67Å; F195-T466 HydrophobicContact CB-CG2 4.13Å; F195-F467 HydrophobicContact CD2-CZ 4.45Å; F195-F467 HydrophobicContact CE2-CZ 4.03Å
196	G	90.8	Very high	88.9	Confident	37 Å²	37	44.3 Å²	44.3	38%	0.381	26%	0.258	S	S	.	.	H	α-helix	trans	-62.6	-43.5	179.9	0	0	0	0	0	113.4	T192 I193 I199 A200	T192-G196 PolarHBondContact O-N 3.08Å; I193-G196 PolarHBondContact O-N 2.85Å; G196-I199 PolarHBondContact O-N 2.93Å; G196-A200 WeakPolarHBondContact O-CB 3.29Å; G196-A200 PolarHBondContact O-N 3.44Å
197	T	89.8	Confident	89.2	Confident	32 Å²	32	46.2 Å²	46.2	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-68.5	-41.9	178.5	51	0	0	0	0	112.2	F187 I193 T194 I199 A200 A201	F187-T197 HydrophobicContact CE2-CG2 4.35Å; I193-T197 HydrophobicContact CG2-CG2 4.18Å; I193-T197 WeakPolarHBondContact O-CB 3.28Å; I193-T197 WeakPolarHBondContact O-CG2 3.44Å; I193-T197 PolarHBondContact O-N 3.09Å; I193-T197 PolarHBondContact O-OG1 3.45Å; T194-T197 PolarHBondContact O-OG1 3.37Å; T194-T197 VanDerWaalsContact O-OG1 3.13Å; T197-I199 VanDerWaalsContact C-N 3.34Å; T197-I199 PolarHBondContact O-N 3.15Å; T197-A200 PolarHBondContact O-N 2.86Å; T197-A201 VanDerWaalsContact O-CB 3.26Å; T197-A201 WeakPolarHBondContact O-CB 3.34Å; T197-A201 PolarHBondContact O-N 3.34Å
198	A	90	Very high	89.6	Confident	11 Å²	11	48.1 Å²	48.1	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-40.9	174.2	0	0	0	0	0	112.3	T194 F195 F202 Y203 V462	T194-A198 VanDerWaalsContact O-CB 3.29Å; T194-A198 WeakPolarHBondContact O-CB 3.49Å; T194-A198 PolarHBondContact O-N 2.96Å; F195-A198 PolarHBondContact O-N 3.23Å; A198-F202 WeakPolarHBondContact O-CB 3.23Å; A198-F202 PolarHBondContact O-N 3.42Å; A198-Y203 HydrophobicContact CB-CE2 4.39Å; A198-Y203 WeakPolarHBondContact O-CD2 3.43Å; A198-Y203 PolarHBondContact O-N 3.27Å; A198-V462 HydrophobicContact CB-CG1 3.97Å
199	I	91.3	Very high	89.9	Confident	56 Å²	56	46.1 Å²	46.1	29%	0.287	28%	0.275	S	S	.	.	I	π-helix	trans	-63.6	-47.6	176.1	-73.7	174.6	0	0	0	111.5	F195 G196 T197 Y203 I204	F195-I199 HydrophobicContact CD1-CD1 3.84Å; F195-I199 HydrophobicContact CD2-CD1 4.35Å; F195-I199 HydrophobicContact CE1-CD1 3.4Å; F195-I199 VanDerWaalsContact CE1-CD1 3.4Å; F195-I199 HydrophobicContact CE2-CD1 3.95Å; F195-I199 HydrophobicContact CG-CD1 4.3Å; F195-I199 HydrophobicContact CZ-CD1 3.47Å; F195-I199 VanDerWaalsContact CZ-CD1 3.47Å; F195-I199 WeakPolarHBondContact O-CG1 3.41Å; F195-I199 PolarHBondContact O-N 3.04Å; G196-I199 PolarHBondContact O-N 2.93Å; T197-I199 VanDerWaalsContact C-N 3.34Å; T197-I199 PolarHBondContact O-N 3.15Å; I199-Y203 HydrophobicContact CG1-CD2 4.33Å; I199-Y203 PolarHBondContact O-N 3.26Å; I199-I204 HydrophobicContact CG2-CD1 3.77Å; I199-I204 HydrophobicContact CG2-CG1 4Å; I199-I204 WeakPolarHBondContact O-CB 3.27Å; I199-I204 WeakPolarHBondContact O-CG1 3.49Å; I199-I204 PolarHBondContact O-N 2.84Å
200	A	89.5	Confident	90.4	Very high	54 Å²	54	45.3 Å²	45.3	45%	0.446	27%	0.267	S	S	.	.	I	π-helix	trans	-68.4	-42.8	-178.1	0	0	0	0	0	113.2	G196 T197 P205	G196-A200 WeakPolarHBondContact O-CB 3.29Å; G196-A200 PolarHBondContact O-N 3.44Å; T197-A200 PolarHBondContact O-N 2.86Å; A200-P205 VanDerWaalsContact O-CD 3.25Å; A200-P205 WeakPolarHBondContact O-CD 3.24Å
201	A	88	Confident	90.7	Very high	16 Å²	16	46 Å²	46	13%	0.132	27%	0.273	C	S	.	.	I	π-helix	trans	-86.8	-27.7	-173.7	0	0	0	0	0	114.1	W162 T197	W162-A201 HydrophobicContact CZ2-CB 3.81Å; T197-A201 VanDerWaalsContact O-CB 3.26Å; T197-A201 WeakPolarHBondContact O-CB 3.34Å; T197-A201 PolarHBondContact O-N 3.34Å
202	F	89.8	Confident	91	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.026	26%	0.26	C	S	.	.	I	π-helix	trans	-119.9	-63.1	-177.2	-178.4	-108.3	0	0	0	113.7	A198 I204 P205 V206 F451 W455 N459	A198-F202 WeakPolarHBondContact O-CB 3.23Å; A198-F202 PolarHBondContact O-N 3.42Å; F202-I204 PolarHBondContact O-N 3.42Å; F202-P205 WeakPolarHBondContact O-CD 3.3Å; F202-V206 HydrophobicContact CD1-CG2 4.4Å; F202-V206 HydrophobicContact CD2-CG2 3.74Å; F202-V206 HydrophobicContact CE1-CG2 4.13Å; F202-V206 HydrophobicContact CE2-CG2 3.39Å; F202-V206 HydrophobicContact CG-CG2 4.24Å; F202-V206 HydrophobicContact CZ-CG2 3.63Å; F202-V206 WeakPolarHBondContact O-CB 3.42Å; F202-V206 VanDerWaalsContact O-CG2 3.3Å; F202-V206 WeakPolarHBondContact O-CG2 3.42Å; F202-V206 PolarHBondContact O-N 2.94Å; F202-F451 HydrophobicContact CD2-CZ 4.31Å; F202-F451 HydrophobicContact CE2-CE1 4.09Å; F202-F451 HydrophobicContact CE2-CZ 4.13Å; F202-W455 HydrophobicContact CD2-CB 4.16Å; F202-W455 HydrophobicContact CE2-CB 3.38Å; F202-W455 HydrophobicContact CE2-CG 4.37Å; F202-W455 HydrophobicContact CZ-CB 3.98Å; F202-N459 WeakPolarHBondContact CB-OD1 3.4Å; F202-N459 HydrophobicContact CD1-CB 3.38Å; F202-N459 HydrophobicContact CE1-CB 3.56Å; F202-N459 HydrophobicContact CG-CB 4Å; F202-N459 WeakPolarHBondContact CG-OD1 3.3Å; F202-N459 HydrophobicContact CZ-CB 4.32Å
203	Y	92.6	Very high	90.9	Very high	57 Å²	57	40.2 Å²	40.2	22%	0.224	23%	0.233	C	C	.	.	I	π-helix	trans	-66	-38.9	-167.8	-69.1	-83.5	0	0	0	113.4	A198 I199 S207 N459	A198-Y203 HydrophobicContact CB-CE2 4.39Å; A198-Y203 WeakPolarHBondContact O-CD2 3.43Å; A198-Y203 PolarHBondContact O-N 3.27Å; I199-Y203 HydrophobicContact CG1-CD2 4.33Å; I199-Y203 PolarHBondContact O-N 3.26Å; Y203-S207 VanDerWaalsContact O-CB 3.27Å; Y203-S207 WeakPolarHBondContact O-CB 3.38Å; Y203-S207 PolarHBondContact O-N 2.91Å; Y203-S207 PolarHBondContact O-OG 3.36Å; Y203-N459 HydrophobicContact CE2-CB 4.24Å; Y203-N459 PolarHBondContact OH-O 3.11Å; Y203-N459 VanDerWaalsContact OH-O 3.07Å
204	I	92.9	Very high	91	Very high	95 Å²	95	41 Å²	41	49%	0.487	24%	0.243	S	C	.	.	H	α-helix	trans	-66.3	-53.3	174.7	-71	172.6	0	0	0	110.9	I199 F202 V206 S207 V208	I199-I204 HydrophobicContact CG2-CD1 3.77Å; I199-I204 HydrophobicContact CG2-CG1 4Å; I199-I204 WeakPolarHBondContact O-CB 3.27Å; I199-I204 WeakPolarHBondContact O-CG1 3.49Å; I199-I204 PolarHBondContact O-N 2.84Å; F202-I204 PolarHBondContact O-N 3.42Å; I204-V206 PolarHBondContact O-N 3Å; I204-S207 PolarHBondContact O-N 2.94Å; I204-V208 HydrophobicContact CG2-CG2 4.44Å; I204-V208 WeakPolarHBondContact O-CG2 3.49Å; I204-V208 PolarHBondContact O-N 3Å
205	P	91.8	Very high	91.1	Very high	7 Å²	7	47.4 Å²	47.4	5%	0.045	27%	0.266	C	S	.	.	H	α-helix	trans	-53.1	-46.2	173.1	-32.7	38.8	0	0	0	114.5	V118 L122 A200 F202 S207 V208 M209	V118-P205 HydrophobicContact CG1-CB 3.99Å; L122-P205 HydrophobicContact CD2-CB 4.4Å; A200-P205 VanDerWaalsContact O-CD 3.25Å; A200-P205 WeakPolarHBondContact O-CD 3.24Å; F202-P205 WeakPolarHBondContact O-CD 3.3Å; P205-S207 PolarHBondContact O-N 3.41Å; P205-V208 PolarHBondContact O-N 2.97Å; P205-M209 HydrophobicContact CB-CE 4.5Å; P205-M209 WeakPolarHBondContact O-CB 3.44Å; P205-M209 VanDerWaalsContact O-CG 3.27Å; P205-M209 WeakPolarHBondContact O-CG 3.24Å; P205-M209 PolarHBondContact O-N 3.28Å
206	V	92.4	Very high	91	Very high	21 Å²	21	43.5 Å²	43.5	13%	0.127	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-45.3	176.6	168.5	0	0	0	0	111.5	F202 I204 M209 T210 F451 I452	F202-V206 HydrophobicContact CD1-CG2 4.4Å; F202-V206 HydrophobicContact CD2-CG2 3.74Å; F202-V206 HydrophobicContact CE1-CG2 4.13Å; F202-V206 HydrophobicContact CE2-CG2 3.39Å; F202-V206 HydrophobicContact CG-CG2 4.24Å; F202-V206 HydrophobicContact CZ-CG2 3.63Å; F202-V206 WeakPolarHBondContact O-CB 3.42Å; F202-V206 VanDerWaalsContact O-CG2 3.3Å; F202-V206 WeakPolarHBondContact O-CG2 3.42Å; F202-V206 PolarHBondContact O-N 2.94Å; I204-V206 PolarHBondContact O-N 3Å; V206-M209 PolarHBondContact O-N 3.05Å; V206-T210 VanDerWaalsContact O-CB 3.3Å; V206-T210 WeakPolarHBondContact O-CB 3.42Å; V206-T210 PolarHBondContact O-N 3.38Å; V206-T210 PolarHBondContact O-OG1 3.39Å; V206-F451 HydrophobicContact CG2-CE1 3.8Å; V206-I452 HydrophobicContact CG1-CG1 4.37Å
207	S	93.9	Very high	90.7	Very high	63 Å²	63	49 Å²	49	44%	0.441	26%	0.26	S	S	.	.	H	α-helix	trans	-62.8	-45.9	179.3	-61.4	0	0	0	0	111.2	Y203 I204 P205 T210 I211	Y203-S207 VanDerWaalsContact O-CB 3.27Å; Y203-S207 WeakPolarHBondContact O-CB 3.38Å; Y203-S207 PolarHBondContact O-N 2.91Å; Y203-S207 PolarHBondContact O-OG 3.36Å; I204-S207 PolarHBondContact O-N 2.94Å; P205-S207 PolarHBondContact O-N 3.41Å; S207-T210 PolarHBondContact O-N 3.05Å; S207-I211 WeakPolarHBondContact O-CB 3.5Å; S207-I211 WeakPolarHBondContact O-CD1 3.12Å; S207-I211 VanDerWaalsContact O-CG1 3.23Å; S207-I211 WeakPolarHBondContact O-CG1 3.39Å; S207-I211 PolarHBondContact O-N 2.89Å
208	V	94.4	Very high	90.6	Very high	48 Å²	48	56.6 Å²	56.6	29%	0.291	29%	0.285	S	S	.	.	H	α-helix	trans	-63.4	-47.2	177.2	174.1	0	0	0	0	111.1	L122 F126 I204 P205 T210 I211 L212	L122-V208 HydrophobicContact CD1-CB 4.11Å; L122-V208 HydrophobicContact CD1-CG1 3.76Å; F126-V208 HydrophobicContact CE2-CG1 3.96Å; F126-V208 HydrophobicContact CZ-CG1 3.64Å; I204-V208 HydrophobicContact CG2-CG2 4.44Å; I204-V208 WeakPolarHBondContact O-CG2 3.49Å; I204-V208 PolarHBondContact O-N 3Å; P205-V208 PolarHBondContact O-N 2.97Å; V208-T210 PolarHBondContact O-N 2.86Å; V208-I211 PolarHBondContact O-N 3.23Å; V208-L212 HydrophobicContact CG1-CD1 3.87Å; V208-L212 HydrophobicContact CG1-CG 4.33Å; V208-L212 WeakPolarHBondContact O-CB 3.29Å; V208-L212 WeakPolarHBondContact O-CG 3.48Å; V208-L212 PolarHBondContact O-N 2.85Å
209	M	91.6	Very high	90.5	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.015	29%	0.292	C	S	.	.	H	α-helix	trans	-58.4	-46.3	176.1	-72.7	-168.1	-72.5	0	0	111.6	L121 L122 S125 P205 V206 L212 Y213 L448 F451	L121-M209 VanDerWaalsContact C-SD 3.6Å; L121-M209 HydrophobicContact CB-SD 3.86Å; L122-M209 HydrophobicContact CB-CG 4.36Å; L122-M209 HydrophobicContact CB-SD 4.31Å; L122-M209 HydrophobicContact CD1-CG 3.64Å; S125-M209 WeakPolarHBondContact OG-CG 3.42Å; P205-M209 HydrophobicContact CB-CE 4.5Å; P205-M209 WeakPolarHBondContact O-CB 3.44Å; P205-M209 VanDerWaalsContact O-CG 3.27Å; P205-M209 WeakPolarHBondContact O-CG 3.24Å; P205-M209 PolarHBondContact O-N 3.28Å; V206-M209 PolarHBondContact O-N 3.05Å; M209-L212 PolarHBondContact O-N 3.3Å; M209-Y213 WeakPolarHBondContact O-CD2 3.32Å; M209-Y213 PolarHBondContact O-N 3.12Å; M209-L448 HydrophobicContact CB-CD1 3.93Å; M209-L448 HydrophobicContact CB-CD2 4.32Å; M209-L448 HydrophobicContact CE-CD2 4.5Å; M209-L448 HydrophobicContact SD-CD2 3.67Å; M209-F451 HydrophobicContact CE-CD1 3.93Å; M209-F451 HydrophobicContact CE-CE1 3.54Å; M209-F451 HydrophobicContact CE-CZ 4.34Å
210	T	91.4	Very high	90.1	Very high	56 Å²	56	56.5 Å²	56.5	34%	0.344	28%	0.282	S	S	.	.	H	α-helix	trans	-62.3	-46.5	179.2	-56.4	0	0	0	0	111.5	V206 S207 V208 L212 Y213 C214	V206-T210 VanDerWaalsContact O-CB 3.3Å; V206-T210 WeakPolarHBondContact O-CB 3.42Å; V206-T210 PolarHBondContact O-N 3.38Å; V206-T210 PolarHBondContact O-OG1 3.39Å; S207-T210 PolarHBondContact O-N 3.05Å; V208-T210 PolarHBondContact O-N 2.86Å; T210-L212 PolarHBondContact O-N 3.24Å; T210-Y213 PolarHBondContact O-N 3.06Å; T210-C214 PolarHBondContact O-N 3.35Å; T210-C214 PolarHBondContact O-SG 3.41Å; T210-C214 VanDerWaalsContact O-SG 3.38Å
211	I	93.4	Very high	89.9	Confident	95 Å²	95	57.5 Å²	57.5	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-43.8	176.8	-69.4	164.5	0	0	0	111.3	S207 V208 Y213 C214 R215	S207-I211 WeakPolarHBondContact O-CB 3.5Å; S207-I211 WeakPolarHBondContact O-CD1 3.12Å; S207-I211 VanDerWaalsContact O-CG1 3.23Å; S207-I211 WeakPolarHBondContact O-CG1 3.39Å; S207-I211 PolarHBondContact O-N 2.89Å; V208-I211 PolarHBondContact O-N 3.23Å; I211-Y213 VanDerWaalsContact C-N 3.29Å; I211-Y213 PolarHBondContact O-N 3.05Å; I211-C214 PolarHBondContact O-N 3.3Å; I211-R215 WeakPolarHBondContact O-CG 3.35Å; I211-R215 PolarHBondContact O-N 3.01Å
212	L	91.6	Very high	89.7	Confident	13 Å²	13	62.4 Å²	62.4	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-38.9	176.1	-70.7	170.7	0	0	0	111.4	F126 Y129 V208 M209 T210 R215 I216	F126-L212 HydrophobicContact CD1-CD1 3.76Å; F126-L212 HydrophobicContact CD1-CD2 4.22Å; F126-L212 HydrophobicContact CD2-CD1 4.17Å; F126-L212 HydrophobicContact CE1-CD1 3.78Å; F126-L212 HydrophobicContact CE1-CD2 4.13Å; F126-L212 HydrophobicContact CE2-CD1 4.18Å; F126-L212 HydrophobicContact CG-CD1 3.98Å; F126-L212 HydrophobicContact CZ-CD1 3.99Å; Y129-L212 HydrophobicContact CD1-CD2 3.77Å; Y129-L212 HydrophobicContact CD2-CD2 3.97Å; Y129-L212 HydrophobicContact CE1-CD2 4.22Å; Y129-L212 HydrophobicContact CE2-CD2 4.41Å; Y129-L212 HydrophobicContact CG-CD2 3.62Å; V208-L212 HydrophobicContact CG1-CD1 3.87Å; V208-L212 HydrophobicContact CG1-CG 4.33Å; V208-L212 WeakPolarHBondContact O-CB 3.29Å; V208-L212 WeakPolarHBondContact O-CG 3.48Å; V208-L212 PolarHBondContact O-N 2.85Å; M209-L212 PolarHBondContact O-N 3.3Å; T210-L212 PolarHBondContact O-N 3.24Å; L212-R215 PolarHBondContact O-N 2.65Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.37Å; L212-I216 PolarHBondContact O-N 3.04Å
213	Y	87.4	Confident	89.3	Confident	24 Å²	24	64.2 Å²	64.2	9%	0.094	30%	0.303	C	S	.	.	H	α-helix	trans	-76.2	-38.1	-179	-86.1	-122.6	0	0	0	113	S125 M209 T210 I211 R215 I216 Y217 L444 L448	S125-Y213 VanDerWaalsContact OG-CE2 3.31Å; S125-Y213 WeakPolarHBondContact OG-CE2 3.09Å; M209-Y213 WeakPolarHBondContact O-CD2 3.32Å; M209-Y213 PolarHBondContact O-N 3.12Å; T210-Y213 PolarHBondContact O-N 3.06Å; I211-Y213 VanDerWaalsContact C-N 3.29Å; I211-Y213 PolarHBondContact O-N 3.05Å; Y213-R215 PolarHBondContact O-N 2.91Å; Y213-I216 HydrophobicContact CD2-CD1 4.04Å; Y213-I216 HydrophobicContact CE2-CD1 4.23Å; Y213-I216 HydrophobicContact CG-CD1 4.44Å; Y213-I216 PolarHBondContact O-N 3.46Å; Y213-Y217 WeakPolarHBondContact O-CB 3.36Å; Y213-Y217 PolarHBondContact O-N 3.08Å; Y213-L444 HydrophobicContact CE1-CB 3.64Å; Y213-L448 HydrophobicContact CD1-CD1 3.62Å; Y213-L448 HydrophobicContact CD1-CG 4.17Å; Y213-L448 HydrophobicContact CD2-CD1 3.43Å; Y213-L448 VanDerWaalsContact CD2-CD1 3.43Å; Y213-L448 HydrophobicContact CD2-CG 4.44Å; Y213-L448 HydrophobicContact CE1-CD1 3.65Å; Y213-L448 HydrophobicContact CE1-CG 3.75Å; Y213-L448 HydrophobicContact CE2-CD1 3.48Å; Y213-L448 VanDerWaalsContact CE2-CD1 3.48Å; Y213-L448 HydrophobicContact CE2-CG 4.07Å; Y213-L448 HydrophobicContact CG-CD1 3.47Å; Y213-L448 VanDerWaalsContact CG-CD1 3.47Å; Y213-L448 HydrophobicContact CG-CG 4.47Å
214	C	89.1	Confident	88.8	Confident	74 Å²	74	63.8 Å²	63.8	50%	0.5	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-38	168.9	-71.4	0	0	0	0	111.3	T210 I211 R218	T210-C214 PolarHBondContact O-N 3.35Å; T210-C214 PolarHBondContact O-SG 3.41Å; T210-C214 VanDerWaalsContact O-SG 3.38Å; I211-C214 PolarHBondContact O-N 3.3Å; C214-R218 WeakPolarHBondContact O-CB 3.33Å; C214-R218 WeakPolarHBondContact O-CG 3.22Å; C214-R218 PolarHBondContact O-N 2.83Å; C214-R218 VanDerWaalsContact O-N 3.09Å
215	R	90.8	Very high	88.4	Confident	141 Å²	141	64.6 Å²	64.6	53%	0.532	31%	0.306	S	S	.	.	H	α-helix	trans	-69.7	-44.1	172.5	-68.4	177.8	180	-152.3	1.6	112.9	Y129 I211 L212 Y213 Y217 R218 E219	Y129-R215 HydrophobicContact CD2-CB 4.22Å; Y129-R215 HydrophobicContact CE2-CB 3.75Å; Y129-R215 HydrophobicContact CE2-CG 4.46Å; Y129-R215 PolarHBondContact OH-NH1 2.93Å; I211-R215 WeakPolarHBondContact O-CG 3.35Å; I211-R215 PolarHBondContact O-N 3.01Å; L212-R215 PolarHBondContact O-N 2.65Å; Y213-R215 PolarHBondContact O-N 2.91Å; R215-Y217 VanDerWaalsContact C-N 3.31Å; R215-Y217 PolarHBondContact O-N 2.81Å; R215-R218 PolarHBondContact O-N 3.4Å; R215-E219 WeakPolarHBondContact O-CB 3.27Å; R215-E219 PolarHBondContact O-N 3.4Å
216	I	87.9	Confident	88	Confident	5 Å²	5	67.5 Å²	67.5	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-57.4	-44.4	174.8	-73.7	163	0	0	0	110.8	R128 Y129 I132 L212 Y213 T220 A441	R128-I216 HydrophobicContact CB-CD1 4.28Å; Y129-I216 HydrophobicContact CD2-CG1 4.23Å; I132-I216 HydrophobicContact CD1-CG1 4.43Å; I132-I216 HydrophobicContact CD1-CG2 3.65Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.37Å; L212-I216 PolarHBondContact O-N 3.04Å; Y213-I216 HydrophobicContact CD2-CD1 4.04Å; Y213-I216 HydrophobicContact CE2-CD1 4.23Å; Y213-I216 HydrophobicContact CG-CD1 4.44Å; Y213-I216 PolarHBondContact O-N 3.46Å; I216-T220 VanDerWaalsContact O-CB 3.3Å; I216-T220 WeakPolarHBondContact O-CB 3.44Å; I216-T220 PolarHBondContact O-N 2.68Å; I216-T220 PolarHBondContact O-OG1 3.01Å; I216-A441 HydrophobicContact CG2-CB 4.12Å
217	Y	85.8	Confident	87.5	Confident	151 Å²	151	68.2 Å²	68.2	59%	0.592	32%	0.324	S	S	*	.	H	α-helix	trans	-62.7	-53.2	179.3	-177.4	-88.2	0	0	0	110.9	Y213 R215 E219 T220 E221	Y213-Y217 WeakPolarHBondContact O-CB 3.36Å; Y213-Y217 PolarHBondContact O-N 3.08Å; R215-Y217 VanDerWaalsContact C-N 3.31Å; R215-Y217 PolarHBondContact O-N 2.81Å; Y217-E219 VanDerWaalsContact C-N 3.34Å; Y217-E219 PolarHBondContact O-N 2.96Å; Y217-T220 PolarHBondContact O-N 3.39Å; Y217-T220 VanDerWaalsContact O-N 3.13Å; Y217-E221 WeakPolarHBondContact CE1-OE2 3.17Å; Y217-E221 PolarHBondContact O-N 3.49Å
218	R	87.6	Confident	86.8	Confident	192 Å²	192	67.8 Å²	67.8	73%	0.725	33%	0.325	S	S	*	.	H	α-helix	trans	-59.1	-41.3	178.6	-72.4	178.1	70.7	168.3	2.9	112.7	C214 R215 E221 K222	C214-R218 WeakPolarHBondContact O-CB 3.33Å; C214-R218 WeakPolarHBondContact O-CG 3.22Å; C214-R218 PolarHBondContact O-N 2.83Å; C214-R218 VanDerWaalsContact O-N 3.09Å; R215-R218 PolarHBondContact O-N 3.4Å; R218-E221 PolarHBondContact O-N 3Å; R218-K222 WeakPolarHBondContact O-CB 3.31Å; R218-K222 PolarHBondContact O-N 2.65Å
219	E	86.5	Confident	86.2	Confident	53 Å²	53	70.5 Å²	70.5	25%	0.248	34%	0.337	C	S	.	.	H	α-helix	trans	-66.7	-38.4	176.1	-179.1	63.4	-172.1	0	0	112.2	I132 T133 R215 Y217 R223	I132-E219 HydrophobicContact CG2-CG 4.13Å; T133-E219 HydrophobicContact CG2-CG 4.41Å; R215-E219 WeakPolarHBondContact O-CB 3.27Å; R215-E219 PolarHBondContact O-N 3.4Å; Y217-E219 VanDerWaalsContact C-N 3.34Å; Y217-E219 PolarHBondContact O-N 2.96Å; E219-R223 WeakPolarHBondContact O-CG 3.47Å; E219-R223 PolarHBondContact O-N 3.45Å; E219-R223 VanDerWaalsContact O-N 3.08Å; E219-R223 IonicContact OE1-CZ 3.65Å; E219-R223 IonicContact OE1-NE 2.72Å; E219-R223 PolarHBondContact OE1-NE 2.93Å; E219-R223 IonicContact OE1-NH2 2.79Å; E219-R223 PolarHBondContact OE1-NH2 2.97Å
220	T	83.1	Confident	85.5	Confident	13 Å²	13	75.2 Å²	75.2	8%	0.08	36%	0.362	C	S	.	.	H	α-helix	trans	-69.1	-39.1	176.7	-57.3	0	0	0	0	111.6	I216 Y217 T224 R438	I216-T220 VanDerWaalsContact O-CB 3.3Å; I216-T220 WeakPolarHBondContact O-CB 3.44Å; I216-T220 PolarHBondContact O-N 2.68Å; I216-T220 PolarHBondContact O-OG1 3.01Å; Y217-T220 PolarHBondContact O-N 3.39Å; Y217-T220 VanDerWaalsContact O-N 3.13Å; T220-T224 PolarHBondContact O-N 3.21Å; T220-T224 PolarHBondContact O-OG1 3.03Å; T220-R438 HydrophobicContact CG2-CB 3.95Å; T220-R438 HydrophobicContact CG2-CG 4.2Å
221	E	84.8	Confident	84.5	Confident	75 Å²	75	75.7 Å²	75.7	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-66.7	-46.8	174.8	-165.5	-166.7	136.7	0	0	111	Y217 R218 R223 T224 K225	Y217-E221 WeakPolarHBondContact CE1-OE2 3.17Å; Y217-E221 PolarHBondContact O-N 3.49Å; R218-E221 PolarHBondContact O-N 3Å; E221-R223 PolarHBondContact O-N 3.47Å; E221-T224 WeakPolarHBondContact O-CA 3.5Å; E221-T224 VanDerWaalsContact O-CB 3.28Å; E221-T224 WeakPolarHBondContact O-CB 3.44Å; E221-T224 PolarHBondContact O-N 2.98Å; E221-K225 PolarHBondContact O-N 3.41Å; E221-K225 WeakPolarHBondContact OE1-CE 3.48Å; E221-K225 IonicContact OE1-NZ 3.82Å; E221-K225 PolarHBondContact OE1-NZ 3.07Å
222	K	85.7	Confident	83.1	Confident	119 Å²	119	72.7 Å²	72.7	52%	0.517	35%	0.353	S	S	.	.	H	α-helix	trans	-53.6	-54.7	176.1	-174.6	-173.3	171.3	-176.8	0	111.1	R218 T224 K225 D226	R218-K222 WeakPolarHBondContact O-CB 3.31Å; R218-K222 PolarHBondContact O-N 2.65Å; K222-T224 PolarHBondContact O-N 3.43Å; K222-T224 VanDerWaalsContact O-N 3.09Å; K222-K225 CarbonylContact O-C 3.44Å; K222-K225 WeakPolarHBondContact O-CA 3.35Å; K222-K225 WeakPolarHBondContact O-CB 3.36Å; K222-K225 PolarHBondContact O-N 2.7Å; K222-D226 PolarHBondContact O-N 3.49Å
223	R	81.3	Confident	81.5	Confident	43 Å²	43	75.3 Å²	75.3	16%	0.162	37%	0.372	C	S	.	.	H	α-helix	trans	-62.1	-20.5	177.6	-66.6	175.3	-173.2	-170.9	2.7	114.2	I132 E219 E221 L227 L434	I132-R223 PolarHBondContact O-NH1 3.35Å; I132-R223 PolarHBondContact O-NH2 3.47Å; E219-R223 WeakPolarHBondContact O-CG 3.47Å; E219-R223 PolarHBondContact O-N 3.45Å; E219-R223 VanDerWaalsContact O-N 3.08Å; E219-R223 IonicContact OE1-CZ 3.65Å; E219-R223 IonicContact OE1-NE 2.72Å; E219-R223 PolarHBondContact OE1-NE 2.93Å; E219-R223 IonicContact OE1-NH2 2.79Å; E219-R223 PolarHBondContact OE1-NH2 2.97Å; E221-R223 PolarHBondContact O-N 3.47Å; R223-L227 WeakPolarHBondContact O-CB 3.5Å; R223-L227 WeakPolarHBondContact O-CG 3.18Å; R223-L227 PolarHBondContact O-N 3.27Å; R223-L434 HydrophobicContact CB-CD1 3.68Å; R223-L434 HydrophobicContact CB-CD2 4.31Å
224	T	80.5	Confident	80.1	Confident	49 Å²	49	78.3 Å²	78.3	30%	0.301	39%	0.39	S	S	.	.	H	α-helix	trans	-75.5	-35.9	172.5	-55.7	0	0	0	0	111	T220 E221 K222 A228 L434	T220-T224 PolarHBondContact O-N 3.21Å; T220-T224 PolarHBondContact O-OG1 3.03Å; E221-T224 WeakPolarHBondContact O-CA 3.5Å; E221-T224 VanDerWaalsContact O-CB 3.28Å; E221-T224 WeakPolarHBondContact O-CB 3.44Å; E221-T224 PolarHBondContact O-N 2.98Å; K222-T224 PolarHBondContact O-N 3.43Å; K222-T224 VanDerWaalsContact O-N 3.09Å; T224-A228 PolarHBondContact O-N 3.14Å; T224-L434 WeakPolarHBondContact OG1-CD2 3.32Å
225	K	84.5	Confident	78.4	Confident	112 Å²	112	78.3 Å²	78.3	49%	0.487	39%	0.39	S	S	.	.	H	α-helix	trans	-72.2	-51.4	172.8	-63.9	177.6	-175.5	171.5	0	111.2	E221 K222 L227 A228 D229	E221-K225 PolarHBondContact O-N 3.41Å; E221-K225 WeakPolarHBondContact OE1-CE 3.48Å; E221-K225 IonicContact OE1-NZ 3.82Å; E221-K225 PolarHBondContact OE1-NZ 3.07Å; K222-K225 CarbonylContact O-C 3.44Å; K222-K225 WeakPolarHBondContact O-CA 3.35Å; K222-K225 WeakPolarHBondContact O-CB 3.36Å; K222-K225 PolarHBondContact O-N 2.7Å; K225-L227 PolarHBondContact O-N 3.01Å; K225-L227 VanDerWaalsContact O-N 3.07Å; K225-A228 WeakPolarHBondContact O-CA 3.44Å; K225-A228 WeakPolarHBondContact O-CB 3.44Å; K225-A228 PolarHBondContact O-N 3.48Å; K225-D229 VanDerWaalsContact O-CG 3.32Å; K225-D229 PolarHBondContact O-N 3.48Å
226	D	84.6	Confident	76.8	Confident	68 Å²	68	76 Å²	76	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-51.6	-39.1	177.4	-53.7	-20.3	0	0	0	112.1	K222 L230	K222-D226 PolarHBondContact O-N 3.49Å; D226-L230 WeakPolarHBondContact O-CD1 3.09Å; D226-L230 WeakPolarHBondContact O-CG 3.33Å; D226-L230 PolarHBondContact O-N 3.34Å
227	L	81.1	Confident	75	Confident	36 Å²	36	79.3 Å²	79.3	19%	0.188	41%	0.412	C	S	.	.	H	α-helix	trans	-77.5	-24.7	175.5	-77.6	-178.2	0	0	0	114.3	R223 K225 L230 Q231 L434	R223-L227 WeakPolarHBondContact O-CB 3.5Å; R223-L227 WeakPolarHBondContact O-CG 3.18Å; R223-L227 PolarHBondContact O-N 3.27Å; K225-L227 PolarHBondContact O-N 3.01Å; K225-L227 VanDerWaalsContact O-N 3.07Å; L227-L230 HydrophobicContact CD2-CD1 4.33Å; L227-Q231 PolarHBondContact O-N 2.96Å; L227-Q231 PolarHBondContact O-NE2 2.8Å; L227-L434 HydrophobicContact CD1-CB 3.98Å; L227-L434 HydrophobicContact CD1-CD1 4.24Å; L227-L434 HydrophobicContact CD1-CD2 4.12Å; L227-L434 HydrophobicContact CD1-CG 4.32Å
228	A	80.3	Confident	73.2	Confident	54 Å²	54	76.4 Å²	76.4	45%	0.446	40%	0.404	S	S	.	.	H	α-helix	trans	-74.2	-43.2	173.9	0	0	0	0	0	110.8	T224 K225 L230 Q231 G232	T224-A228 PolarHBondContact O-N 3.14Å; K225-A228 WeakPolarHBondContact O-CA 3.44Å; K225-A228 WeakPolarHBondContact O-CB 3.44Å; K225-A228 PolarHBondContact O-N 3.48Å; A228-L230 PolarHBondContact O-N 3.49Å; A228-Q231 WeakPolarHBondContact O-CB 3.49Å; A228-Q231 PolarHBondContact O-N 3.14Å; A228-G232 PolarHBondContact O-N 3.42Å
229	D	80.8	Confident	71.4	Confident	104 Å²	104	70.1 Å²	70.1	56%	0.556	39%	0.394	S	S	*	.	H	α-helix	trans	-61.2	-45.2	-179.9	-58.3	-27.3	0	0	0	111	K225 Q231 G232 S233	K225-D229 VanDerWaalsContact O-CG 3.32Å; K225-D229 PolarHBondContact O-N 3.48Å; D229-Q231 VanDerWaalsContact C-N 3.32Å; D229-Q231 PolarHBondContact O-N 2.96Å; D229-G232 WeakPolarHBondContact O-CA 3.47Å; D229-G232 PolarHBondContact O-N 3.34Å; D229-S233 PolarHBondContact O-N 3.21Å; D229-S233 PolarHBondContact O-OG 3.12Å
230	L	78.2	Confident	69.6	Low	102 Å²	102	73 Å²	73	53%	0.534	41%	0.407	S	S	.	.	H	α-helix	trans	-57.4	-39.3	172.5	-72.6	169.1	0	0	0	113.2	D226 L227 A228 G232 S233 D234	D226-L230 WeakPolarHBondContact O-CD1 3.09Å; D226-L230 WeakPolarHBondContact O-CG 3.33Å; D226-L230 PolarHBondContact O-N 3.34Å; L227-L230 HydrophobicContact CD2-CD1 4.33Å; A228-L230 PolarHBondContact O-N 3.49Å; L230-G232 VanDerWaalsContact C-N 3.33Å; L230-S233 PolarHBondContact O-N 3.34Å; L230-D234 PolarHBondContact O-N 3.37Å; L230-D234 VanDerWaalsContact O-N 3.12Å
231	Q	69.6	Low	67.8	Low	67 Å²	67	79.8 Å²	79.8	31%	0.313	44%	0.435	S	S	.	.	H	α-helix	trans	-70.1	-30.9	175.3	-83.1	163.1	94.2	0	0	111.9	L227 A228 D229 S235	L227-Q231 PolarHBondContact O-N 2.96Å; L227-Q231 PolarHBondContact O-NE2 2.8Å; A228-Q231 WeakPolarHBondContact O-CB 3.49Å; A228-Q231 PolarHBondContact O-N 3.14Å; D229-Q231 VanDerWaalsContact C-N 3.32Å; D229-Q231 PolarHBondContact O-N 2.96Å; Q231-S235 PolarHBondContact O-N 3.32Å; Q231-S235 PolarHBondContact O-OG 2.9Å
232	G	63.8	Low	65.9	Low	31 Å²	31	85.9 Å²	85.9	32%	0.32	46%	0.455	S	S	.	.	H	α-helix	trans	-62.8	-51.7	170.1	0	0	0	0	0	111.6	A228 D229 L230 D234 S235 V236	A228-G232 PolarHBondContact O-N 3.42Å; D229-G232 WeakPolarHBondContact O-CA 3.47Å; D229-G232 PolarHBondContact O-N 3.34Å; L230-G232 VanDerWaalsContact C-N 3.33Å; G232-D234 PolarHBondContact O-N 3.19Å; G232-S235 PolarHBondContact O-N 2.95Å; G232-S235 VanDerWaalsContact O-N 3.11Å; G232-S235 PolarHBondContact O-OG 2.89Å; G232-V236 PolarHBondContact O-N 2.77Å; G232-V236 VanDerWaalsContact O-N 3.08Å
233	S	58	Low	63.5	Low	69 Å²	69	87.1 Å²	87.1	48%	0.483	46%	0.461	S	S	.	.	H	α-helix	trans	-56.2	-46.4	178.9	-53.6	0	0	0	0	113.1	D229 L230 S235 V236 T237	D229-S233 PolarHBondContact O-N 3.21Å; D229-S233 PolarHBondContact O-OG 3.12Å; L230-S233 PolarHBondContact O-N 3.34Å; S233-S235 VanDerWaalsContact C-N 3.31Å; S233-S235 PolarHBondContact O-N 3.42Å; S233-V236 PolarHBondContact O-N 2.89Å; S233-T237 WeakPolarHBondContact O-CB 3.49Å; S233-T237 PolarHBondContact O-N 3.48Å; S233-T237 VanDerWaalsContact O-N 3.12Å; S233-T237 PolarHBondContact O-OG1 2.9Å
234	D	59	Low	61.5	Low	87 Å²	87	90.6 Å²	90.6	47%	0.465	49%	0.489	S	S	.	.	H	α-helix	trans	-58.8	-43.5	176.3	-75.2	-17.6	0	0	0	111.2	L230 G232 T237 E238	L230-D234 PolarHBondContact O-N 3.37Å; L230-D234 VanDerWaalsContact O-N 3.12Å; G232-D234 PolarHBondContact O-N 3.19Å; D234-T237 PolarHBondContact O-N 2.58Å; D234-E238 PolarHBondContact O-N 2.73Å; D234-E238 VanDerWaalsContact O-N 3.14Å
235	S	53.8	Low	59.7	Low	73 Å²	73	93.5 Å²	93.5	51%	0.51	52%	0.517	S	S	.	.	H	α-helix	trans	-68.5	-36.7	-176.9	74.3	0	0	0	0	114	Q231 G232 S233 A239	Q231-S235 PolarHBondContact O-N 3.32Å; Q231-S235 PolarHBondContact O-OG 2.9Å; G232-S235 PolarHBondContact O-N 2.95Å; G232-S235 VanDerWaalsContact O-N 3.11Å; G232-S235 PolarHBondContact O-OG 2.89Å; S233-S235 VanDerWaalsContact C-N 3.31Å; S233-S235 PolarHBondContact O-N 3.42Å; S235-A239 WeakPolarHBondContact O-CB 3.42Å; S235-A239 PolarHBondContact O-N 3.09Å; S235-A239 VanDerWaalsContact O-N 3.12Å
236	V	55.1	Low	57.6	Low	92 Å²	92	96.4 Å²	96.4	56%	0.558	53%	0.532	S	S	*	.	H	α-helix	trans	-69.8	-39.8	175.4	175.2	0	0	0	0	110.6	G232 S233 E238 A239 E240	G232-V236 PolarHBondContact O-N 2.77Å; G232-V236 VanDerWaalsContact O-N 3.08Å; S233-V236 PolarHBondContact O-N 2.89Å; V236-E238 PolarHBondContact O-N 2.86Å; V236-A239 WeakPolarHBondContact O-CB 3.31Å; V236-A239 PolarHBondContact O-N 2.85Å; V236-A239 VanDerWaalsContact O-N 3.16Å; V236-E240 PolarHBondContact O-N 3.43Å
237	T	50.7	Low	55.5	Low	75 Å²	75	105.1 Å²	105.1	46%	0.46	56%	0.56	S	S	.	*	H	α-helix	trans	-64.9	-37.9	-179.7	-52.4	0	0	0	0	112.3	S233 D234 K241	S233-T237 WeakPolarHBondContact O-CB 3.49Å; S233-T237 PolarHBondContact O-N 3.48Å; S233-T237 VanDerWaalsContact O-N 3.12Å; S233-T237 PolarHBondContact O-OG1 2.9Å; D234-T237 PolarHBondContact O-N 2.58Å; T237-K241 PolarHBondContact O-N 2.59Å
238	E	49.2	Very low	53.6	Low	90 Å²	90	108.1 Å²	108.1	42%	0.421	59%	0.59	S	S	.	*	H	α-helix	trans	-74.6	-29.1	173.1	-77.7	-66.1	119.8	0	0	113.2	D234 V236 K241 R242	D234-E238 PolarHBondContact O-N 2.73Å; D234-E238 VanDerWaalsContact O-N 3.14Å; V236-E238 PolarHBondContact O-N 2.86Å; E238-K241 IonicContact OE1-NZ 2.7Å; E238-K241 PolarHBondContact OE1-NZ 3.2Å; E238-R242 WeakPolarHBondContact O-CG 3.21Å
239	A	48.1	Very low	51.9	Low	61 Å²	61	113.2 Å²	113.2	50%	0.504	61%	0.609	S	S	.	*	H	α-helix	trans	-69.2	-39.1	172.6	0	0	0	0	0	112.2	S235 V236 R242	S235-A239 WeakPolarHBondContact O-CB 3.42Å; S235-A239 PolarHBondContact O-N 3.09Å; S235-A239 VanDerWaalsContact O-N 3.12Å; V236-A239 WeakPolarHBondContact O-CB 3.31Å; V236-A239 PolarHBondContact O-N 2.85Å; V236-A239 VanDerWaalsContact O-N 3.16Å; A239-R242 PolarHBondContact O-N 3.39Å
240	E	49.8	Very low	49.7	Very low	114 Å²	114	118.5 Å²	118.5	53%	0.533	63%	0.628	S	S	.	*	H	α-helix	trans	-61.3	-44.8	176.1	-167.1	98.5	-99.7	0	0	111.6	V236 R242 K243	V236-E240 PolarHBondContact O-N 3.43Å; E240-R242 PolarHBondContact O-N 2.84Å; E240-R242 VanDerWaalsContact O-N 3.13Å; E240-K243 PolarHBondContact O-N 3.43Å; E240-K243 IonicContact OE1-NZ 3.48Å; E240-K243 PolarHBondContact OE1-NZ 2.93Å
241	K	45.8	Very low	47.7	Very low	154 Å²	154	125.6 Å²	125.6	67%	0.67	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-11.4	177	-74.1	179	-175.7	170.9	0	114.9	T237 E238	T237-K241 PolarHBondContact O-N 2.59Å; E238-K241 IonicContact OE1-NZ 2.7Å; E238-K241 PolarHBondContact OE1-NZ 3.2Å
242	R	43.5	Very low	45.8	Very low	203 Å²	203	127.5 Å²	127.5	77%	0.766	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	9.4	179.2	-73.2	-177.2	178.3	-147	-0.9	114.3	E238 A239 E240 P244	E238-R242 WeakPolarHBondContact O-CG 3.21Å; A239-R242 PolarHBondContact O-N 3.39Å; E240-R242 PolarHBondContact O-N 2.84Å; E240-R242 VanDerWaalsContact O-N 3.13Å; R242-P244 VanDerWaalsContact O-CD 3.28Å; R242-P244 WeakPolarHBondContact O-CD 3.27Å
243	K	35.5	Very low	44.3	Very low	146 Å²	146	131.3 Å²	131.3	64%	0.635	69%	0.688	S	S	*	*			trans	-79.2	111	169.7	-67.3	172.3	-179.4	172.5	0	109.8	E240	E240-K243 PolarHBondContact O-N 3.43Å; E240-K243 IonicContact OE1-NZ 3.48Å; E240-K243 PolarHBondContact OE1-NZ 2.93Å
244	P	40	Very low	43.1	Very low	116 Å²	116	136.7 Å²	136.7	75%	0.753	71%	0.711	S	S	*	*			trans	-69.5	138.9	177	29.1	-34.4	0	0	0	110.9	R242 H246	R242-P244 VanDerWaalsContact O-CD 3.28Å; R242-P244 WeakPolarHBondContact O-CD 3.27Å; P244-H246 PolarHBondContact O-N 3.44Å
245	A	42.2	Very low	41.7	Very low	109 Å²	109	143.6 Å²	143.6	90%	0.901	73%	0.73	S	S	*	*	S	Bend	trans	-75.4	70.7	179.1	0	0	0	0	0	111.7
246	H	41.4	Very low	40.4	Very low	173 Å²	173	145.6 Å²	145.6	80%	0.801	74%	0.743	S	S	*	*			trans	-141.2	51.8	-176.9	-143.4	-80.8	0	0	0	114.3	P244	P244-H246 PolarHBondContact O-N 3.44Å
247	R	39.3	Very low	39.6	Very low	252 Å²	252	147 Å²	147	95%	0.951	75%	0.754	S	S	*	*			trans	-144.3	37.1	170.6	-117.4	174.3	-165.4	-169.9	3.3	114.7
248	A	42.5	Very low	38.6	Very low	99 Å²	99	154.8 Å²	154.8	82%	0.818	78%	0.775	S	S	*	*			trans	-106.6	52	172.6	0	0	0	0	0	111.9
249	L	43.8	Very low	38.1	Very low	160 Å²	160	155.8 Å²	155.8	84%	0.838	79%	0.789	S	S	*	*			trans	-169.9	94.3	167.1	-108.5	169.3	0	0	0	109.7
250	F	35.6	Very low	37.1	Very low	216 Å²	216	158.6 Å²	158.6	95%	0.947	80%	0.8	S	S	*	*			trans	179.5	106.4	139.3	-109	-70.5	0	0	0	109
251	R	35.5	Very low	36.2	Very low	250 Å²	250	161.1 Å²	161.1	94%	0.943	82%	0.817	S	S	*	*			trans	-143.5	92.6	179.6	-173.2	-165.7	-158.4	-170.8	8.8	109.7
252	S	28.9	Very low	35.4	Very low	108 Å²	108	158.8 Å²	158.8	76%	0.755	83%	0.826	S	S	*	*			trans	-166.6	169.6	153.8	-151.9	0	0	0	0	112.5
253	C	32.4	Very low	34.8	Very low	110 Å²	110	157.9 Å²	157.9	74%	0.743	83%	0.831	S	S	*	*			trans	56.8	88.5	160.3	-61.8	0	0	0	0	118.2
254	L	32.5	Very low	34.5	Very low	182 Å²	182	160.4 Å²	160.4	95%	0.953	84%	0.836	S	S	*	*				-165.6	156.9	96.8	-95.5	161.6	0	0	0	110.1
255	R	29.9	Very low	34.1	Very low	232 Å²	232	160.5 Å²	160.5	88%	0.875	83%	0.827	S	S	*	*			trans	-146.8	131.1	-167.7	-166	-175	-170.4	-170.6	4.3	112.2
256	C	26.9	Very low	33.5	Very low	115 Å²	115	163.9 Å²	163.9	78%	0.777	82%	0.816	S	S	*	*			trans	65.2	164.7	171.3	-68.3	0	0	0	0	117.2
257	P	38.3	Very low	33	Very low	122 Å²	122	162.2 Å²	162.2	79%	0.792	81%	0.813	S	S	*	*			cis	-125.6	-179.9	-22.3	27.7	-6.6	0	0	0	113.9
258	R	29.6	Very low	32.7	Very low	239 Å²	239	158.4 Å²	158.4	90%	0.902	81%	0.806	S	S	*	*			trans	-79.2	153	163.1	-85.5	-179.9	170.8	169.5	-2.8	110.1
259	P	38.3	Very low	32	Very low	110 Å²	110	159 Å²	159	71%	0.714	80%	0.8	S	S	*	*				-152.9	164.6	88.8	41	-22.3	0	0	0	118.7
260	T	28.5	Very low	31.3	Very low	120 Å²	120	156.7 Å²	156.7	74%	0.736	80%	0.797	S	S	*	*			trans	58.4	132.7	145.8	47.3	0	0	0	0	125.1
261	L	29.1	Very low	30.8	Very low	168 Å²	168	158.7 Å²	158.7	88%	0.88	80%	0.798	S	S	*	*			trans	54.8	105.2	139.9	-80.4	158.5	0	0	0	121.3
262	A	30.7	Very low	30.7	Very low	105 Å²	105	151.8 Å²	151.8	87%	0.868	79%	0.788	S	S	*	*				-156.3	154.8	113	0	0	0	0	0	110.4
263	Q	29.6	Very low	30.7	Very low	184 Å²	184	152.4 Å²	152.4	86%	0.86	79%	0.792	S	S	*	*			trans	-112.8	149.7	-179.5	167	-179.9	-15.1	0	0	109.2
264	R	29.1	Very low	30.6	Very low	199 Å²	199	152.6 Å²	152.6	75%	0.751	80%	0.795	S	S	*	*				155.5	118.7	127.5	-172.4	161.6	-176.1	141.7	12.8	115.1
265	E	31	Very low	30.5	Very low	118 Å²	118	155.6 Å²	155.6	55%	0.551	79%	0.793	S	S	*	*			trans	70.7	147.9	149.5	-76.6	-175.2	123.1	0	0	120.6
266	R	30.6	Very low	30.4	Very low	180 Å²	180	155.7 Å²	155.7	68%	0.679	79%	0.794	S	S	*	*			cis	-158.8	150.1	-3.8	166.5	-178.6	-67.6	-178.6	-3	111.4
267	N	30.7	Very low	30.6	Very low	138 Å²	138	155.4 Å²	155.4	74%	0.738	79%	0.793	S	S	*	*			trans	59.6	108.3	173.6	-60.4	-4.1	0	0	0	117.1
268	Q	32.3	Very low	30	Very low	171 Å²	171	154.2 Å²	154.2	80%	0.799	79%	0.793	S	S	*	*				65.2	104.2	58.9	-64.6	-162.1	-2.9	0	0	113.8
269	T	29.2	Very low	29.9	Very low	112 Å²	112	147.8 Å²	147.8	69%	0.687	79%	0.785	S	S	*	*				71.9	113.9	70.5	62.3	0	0	0	0	113
270	S	27.8	Very low	29.4	Very low	111 Å²	111	148.5 Å²	148.5	78%	0.776	79%	0.788	S	S	*	*				61.2	117	75.8	-169	0	0	0	0	112.5
271	W	26.8	Very low	29.4	Very low	259 Å²	259	148.8 Å²	148.8	98%	0.981	80%	0.795	S	S	*	*			trans	-118.9	117.1	-177.7	-105	28.4	0	0	0	111.4
272	S	31.7	Very low	29.4	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	79%	0.788	S	S	*	*			trans	-156.8	118.3	164.7	59.3	0	0	0	0	108.5
273	S	29.4	Very low	29.5	Very low	121 Å²	121	148.9 Å²	148.9	85%	0.846	79%	0.789	S	S	*	*			trans	-163.2	131.5	171	-86.7	0	0	0	0	112.4
274	S	30.5	Very low	30	Very low	114 Å²	114	145 Å²	145	80%	0.797	78%	0.78	S	S	*	*			trans	-102.4	147.3	161	-46.1	0	0	0	0	109.1
275	R	30.5	Very low	30	Very low	245 Å²	245	140 Å²	140	93%	0.925	77%	0.774	S	S	*	*			trans	-161.5	166.6	154.2	-126	167	-90	-137.8	1.5	113.3
276	R	27.6	Very low	29.9	Very low	235 Å²	235	143 Å²	143	89%	0.887	79%	0.789	S	S	*	*			trans	-77.1	172.3	174.8	-55.7	174.7	-179.7	173.4	-2.1	109.3
277	S	30.3	Very low	29.7	Very low	109 Å²	109	138.6 Å²	138.6	76%	0.762	79%	0.79	S	S	*	*			cis	-161.6	177.2	34.2	-57.6	0	0	0	0	113.5
278	A	27.6	Very low	29.6	Very low	96 Å²	96	138.8 Å²	138.8	79%	0.793	80%	0.797	S	S	*	*			trans	-13.1	153	160.9	0	0	0	0	0	120.6
279	S	26.7	Very low	29.3	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	80%	0.798	S	S	*	*			cis	-154.7	-138.3	-8.7	44.7	0	0	0	0	110.2
280	T	28.5	Very low	30	Very low	124 Å²	124	137.3 Å²	137.3	76%	0.761	80%	0.796	S	S	*	*			cis	-164.3	157.8	14.7	-37.6	0	0	0	0	110.6
281	S	28.6	Very low	29.9	Very low	127 Å²	127	137 Å²	137	89%	0.888	79%	0.794	S	S	*	*			trans	71.7	141.9	178	-156.5	0	0	0	0	115.5
282	G	28.3	Very low	29.9	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	78%	0.779	S	S	*	*			cis	-141.1	-166.4	4.3	0	0	0	0	0	114.2
283	K	32.1	Very low	29.6	Very low	204 Å²	204	132 Å²	132	89%	0.887	78%	0.782	S	S	*	*			trans	-125.6	174.5	-165.6	-108.3	-174.8	-178.3	-176.5	0	111.3
284	P	40.6	Very low	29.4	Very low	103 Å²	103	135.4 Å²	135.4	67%	0.669	79%	0.785	S	S	*	*			cis	-135.2	-169.1	-14.8	37.6	-18.8	0	0	0	114.8
285	S	29.1	Very low	29.1	Very low	92 Å²	92	134.3 Å²	134.3	64%	0.643	78%	0.783	S	S	*	*			trans	87.1	143.5	153	-75.1	0	0	0	0	118.1
286	Q	29	Very low	28.8	Very low	183 Å²	183	133.2 Å²	133.2	86%	0.855	79%	0.785	S	S	*	*			cis	-146.2	-138.7	-5.1	-141.5	150.9	-77.7	0	0	114.4
287	A	26.7	Very low	28.6	Very low	86 Å²	86	126.2 Å²	126.2	71%	0.711	78%	0.777	S	S	*	*			trans	-101.7	169.3	-171.1	0	0	0	0	0	111.5
288	T	28.4	Very low	28.3	Very low	143 Å²	143	130 Å²	130	88%	0.877	78%	0.782	S	S	*	*			cis	-137.3	170	29.3	33.3	0	0	0	0	116.1
289	D	26	Very low	28.2	Very low	152 Å²	152	134.3 Å²	134.3	81%	0.813	79%	0.786	S	S	*	*			trans	-128.2	179.2	-175.8	-131.8	-15.2	0	0	0	107.7
290	P	44.2	Very low	28.1	Very low	99 Å²	99	137.2 Å²	137.2	64%	0.643	79%	0.793	S	S	*	*			cis	-139.2	-175.8	-12.5	40.8	-22.9	0	0	0	116
291	S	26	Very low	27.9	Very low	106 Å²	106	137.1 Å²	137.1	74%	0.741	79%	0.792	S	S	*	*			trans	81.4	148.1	151.8	93.3	0	0	0	0	117.7
292	T	26.7	Very low	27.6	Very low	108 Å²	108	137.1 Å²	137.1	66%	0.663	79%	0.786	S	S	*	*			cis	-147.1	148.2	4.6	-57.5	0	0	0	0	111
293	N	25.8	Very low	27.3	Very low	149 Å²	149	139.8 Å²	139.8	80%	0.797	79%	0.793	S	S	*	*			trans	18.4	144.8	158.8	-51.4	-24.2	0	0	0	120.8
294	Q	25.1	Very low	26.8	Very low	193 Å²	193	135.9 Å²	135.9	90%	0.902	79%	0.791	S	S	*	*			cis	-166.2	162.2	38.1	-163.4	169.1	5.1	0	0	111.4
295	A	23.7	Very low	26.1	Very low	91 Å²	91	135 Å²	135	75%	0.752	79%	0.788	S	S	*	*			trans	-113.2	155.6	-177.9	0	0	0	0	0	114.6
296	K	23.9	Very low	25.9	Very low	222 Å²	222	140.9 Å²	140.9	97%	0.965	80%	0.797	S	S	*	*			trans	-160.8	163.4	140.1	-117.7	172.3	-175.6	177.9	0	113.1
297	A	23.6	Very low	26	Very low	87 Å²	87	138.2 Å²	138.2	72%	0.719	80%	0.795	S	S	*	*			trans	-118.5	175.3	-168.5	0	0	0	0	0	113.1
298	E	25	Very low	25.8	Very low	189 Å²	189	139 Å²	139	88%	0.883	80%	0.796	S	S	*	*			trans	9.1	138.6	157.1	-58.2	-178.7	136.1	0	0	120.1
299	Q	24.1	Very low	25.7	Very low	187 Å²	187	137.6 Å²	137.6	87%	0.874	79%	0.792	S	S	*	*			trans	-145	130.3	140.4	-130.7	166.1	14.1	0	0	113.9
300	L	24.7	Very low	25.9	Very low	166 Å²	166	138.3 Å²	138.3	87%	0.869	79%	0.791	S	S	*	*			trans	-98.1	131.2	174	-163.7	86.7	0	0	0	108
301	T	24.3	Very low	25.1	Very low	122 Å²	122	139.9 Å²	139.9	75%	0.748	79%	0.793	S	S	*	*			trans	-133.3	97.4	-179.3	-44	0	0	0	0	113.6
302	T	22.4	Very low	25.1	Very low	126 Å²	126	141.2 Å²	141.2	77%	0.773	79%	0.788	S	S	*	*			trans	11.8	134.9	137	-33.6	0	0	0	0	119.4
303	C	22.4	Very low	25.1	Very low	127 Å²	127	143.8 Å²	143.8	86%	0.858	80%	0.797	S	S	*	*			trans	-68.8	151.5	166.6	-64	0	0	0	0	112.4
304	S	21.7	Very low	25.1	Very low	122 Å²	122	144.3 Å²	144.3	85%	0.853	79%	0.793	S	S	*	*			trans	-127.9	166.9	163.5	-168.2	0	0	0	0	110.2
305	S	25.5	Very low	25.1	Very low	86 Å²	86	140.3 Å²	140.3	60%	0.601	78%	0.784	S	S	*	*			trans	-140.4	163.6	-167.2	57	0	0	0	0	113.3
306	Y	25.6	Very low	25.1	Very low	215 Å²	215	143 Å²	143	84%	0.843	79%	0.791	S	S	*	*			trans	73.2	159.1	178.1	-59.1	-79.3	0	0	0	117.4
307	P	29.4	Very low	25.2	Very low	126 Å²	126	138.4 Å²	138.4	82%	0.818	78%	0.781	S	S	*	*			cis	-112.5	179.4	-8.8	24.3	-3.5	0	0	0	113.7
308	S	23.5	Very low	25.2	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	79%	0.786	S	S	*	*			trans	-94.5	154.7	172.8	-168.5	0	0	0	0	111.5
309	S	26.4	Very low	25.5	Very low	113 Å²	113	138.5 Å²	138.5	79%	0.79	78%	0.783	S	S	*	*			trans	-145.2	127.3	155	62.6	0	0	0	0	109.8
310	E	29.8	Very low	25.6	Very low	167 Å²	167	136.2 Å²	136.2	78%	0.78	78%	0.781	S	S	*	*			trans	-80.9	174.8	178.1	-63	140.8	140.6	0	0	110.3
311	D	27.9	Very low	25.5	Very low	131 Å²	131	135.2 Å²	135.2	70%	0.701	78%	0.776	S	S	*	*			cis	-158.5	175.9	5.7	-142.1	-16.3	0	0	0	113.2
312	E	26.4	Very low	25.4	Very low	135 Å²	135	138.1 Å²	138.1	63%	0.631	78%	0.781	S	S	*	*			trans	61.5	154.4	161.3	-71.8	-69.9	88.7	0	0	116.7
313	D	25.1	Very low	25.4	Very low	161 Å²	161	137.1 Å²	137.1	86%	0.861	78%	0.775	S	S	*	*			cis	-140	170.9	48.6	-154	-16.7	0	0	0	113.9
314	K	25.9	Very low	25.4	Very low	161 Å²	161	137.5 Å²	137.5	70%	0.7	77%	0.773	S	S	*	*			trans	-117.4	-158	-160.5	-136.1	-173.4	-178.9	165.6	0	112.7
315	P	25.7	Very low	25.4	Very low	109 Å²	109	142 Å²	142	71%	0.708	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-100.6	141	-141.3	38	-24.4	0	0	0	114.6
316	T	24.9	Very low	25.3	Very low	147 Å²	147	147.8 Å²	147.8	90%	0.902	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-80.8	139	168.5	-24.4	0	0	0	0	111.6
317	T	24.8	Very low	25.2	Very low	125 Å²	125	142.7 Å²	142.7	77%	0.767	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-87.8	164.1	178.8	42.9	0	0	0	0	113.3
318	D	24.2	Very low	24.8	Very low	151 Å²	151	147.4 Å²	147.4	81%	0.807	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-64.9	144.1	170.9	-70.2	-60.4	0	0	0	112.1
319	P	31.8	Very low	24.8	Very low	127 Å²	127	145.9 Å²	145.9	83%	0.825	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-82.1	120.5	168.8	32	-31.4	0	0	0	111.1
320	V	24.6	Very low	24.7	Very low	139 Å²	139	149.3 Å²	149.3	84%	0.842	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-90	140.5	166.6	173.9	0	0	0	0	109.8
321	L	22.8	Very low	24.4	Very low	145 Å²	145	149.8 Å²	149.8	76%	0.759	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-61.2	138.5	177	-178.9	75.1	0	0	0	112	V323	L321-V323 HydrophobicContact CD2-CG2 4.28Å; L321-V323 HydrophobicContact CG-CG2 4.39Å
322	Q	22.7	Very low	24.1	Very low	184 Å²	184	148.9 Å²	148.9	86%	0.86	79%	0.792	S	S	*	*			trans	-133.2	141.6	150.8	-122.1	-175	18.2	0	0	111.7
323	V	23.3	Very low	24.7	Very low	105 Å²	105	148.9 Å²	148.9	64%	0.636	80%	0.804	S	S	*	*			trans	-105	140.7	179.2	172.5	0	0	0	0	108.1	L321	L321-V323 HydrophobicContact CD2-CG2 4.28Å; L321-V323 HydrophobicContact CG-CG2 4.39Å
324	V	22.2	Very low	24.6	Very low	134 Å²	134	144 Å²	144	81%	0.812	79%	0.791	S	S	*	*			trans	-124.3	124.9	170.7	178.7	0	0	0	0	109.3
325	Y	20.9	Very low	24.5	Very low	217 Å²	217	145.5 Å²	145.5	85%	0.851	80%	0.801	S	S	*	*			trans	-75.5	152.9	172.7	-93.4	-105.3	0	0	0	111.6
326	K	23.7	Very low	24.4	Very low	208 Å²	208	149.2 Å²	149.2	90%	0.904	81%	0.808	S	S	*	*			trans	-147.2	139.3	143.5	-145.4	171.9	-176.1	-178.4	0	113
327	S	22.9	Very low	24.3	Very low	108 Å²	108	151.1 Å²	151.1	76%	0.755	81%	0.805	S	S	*	*			trans	-61.3	133.4	173.7	-110.7	0	0	0	0	111
328	R	21.8	Very low	24.2	Very low	225 Å²	225	149.7 Å²	149.7	85%	0.849	80%	0.8	S	S	*	*				80.3	109.8	72.4	-165.6	-170.2	-167.7	-174	6	113.5
329	G	23.8	Very low	24.2	Very low	72 Å²	72	145.6 Å²	145.6	74%	0.742	79%	0.787	S	S	*	*			trans	-150	148.1	158.5	0	0	0	0	0	108.1
330	K	23.8	Very low	23.9	Very low	185 Å²	185	148.3 Å²	148.3	80%	0.804	79%	0.788	S	S	*	*			trans	-92	173.8	171.2	-69.5	-175.4	166.7	-170.7	0	108.4
331	E	22.9	Very low	23.8	Very low	176 Å²	176	149 Å²	149	82%	0.822	79%	0.787	S	S	*	*			cis	-146.5	-166.2	34.5	-70.3	174.7	143.2	0	0	113.7
332	S	21.9	Very low	24	Very low	113 Å²	113	146.2 Å²	146.2	79%	0.79	79%	0.786	S	S	*	*			trans	-161.3	173.3	-175.3	-50.1	0	0	0	0	107.7
333	P	38	Very low	24.1	Very low	135 Å²	135	147 Å²	147	88%	0.877	79%	0.789	S	S	*	*			cis	-138.8	-161.5	13.3	43.8	-23.4	0	0	0	115.4
334	G	23.8	Very low	24.1	Very low	58 Å²	58	150.5 Å²	150.5	60%	0.598	80%	0.799	S	S	*	*			trans	126.5	115.1	178.2	0	0	0	0	0	110.9
335	E	23.8	Very low	24.2	Very low	193 Å²	193	149.4 Å²	149.4	90%	0.902	79%	0.792	S	S	*	*				71.1	133.7	82.9	-69.9	168	173.1	0	0	112.1
336	E	23.8	Very low	24.2	Very low	186 Å²	186	148.6 Å²	148.6	87%	0.869	79%	0.794	S	S	*	*			cis	-154.5	-161.5	11.5	-141.2	-177.5	173.7	0	0	113.6
337	F	22.2	Very low	24.4	Very low	188 Å²	188	145.8 Å²	145.8	83%	0.825	79%	0.785	S	S	*	*			trans	-54.9	147.8	-179.1	-134	-123.7	0	0	0	114.9
338	S	23.7	Very low	24.4	Very low	95 Å²	95	149.8 Å²	149.8	66%	0.664	79%	0.789	S	S	*	*				176.3	165	78.3	-56.7	0	0	0	0	107.8
339	A	23.8	Very low	24.7	Very low	65 Å²	65	143 Å²	143	54%	0.537	78%	0.781	S	S	.	*			cis	62.8	138.8	42.9	0	0	0	0	0	115.3
340	E	24.6	Very low	24.7	Very low	183 Å²	183	147.9 Å²	147.9	86%	0.855	79%	0.785	S	S	*	*			cis	-179.7	155.3	-22.1	-106.9	135.8	-125.2	0	0	107.1
341	D	24.2	Very low	24.7	Very low	153 Å²	153	144.9 Å²	144.9	82%	0.818	78%	0.782	S	S	*	*			cis	-167	170.8	-21.2	-174.5	29.2	0	0	0	109.9
342	A	25.2	Very low	24.7	Very low	88 Å²	88	144.6 Å²	144.6	73%	0.727	78%	0.78	S	S	*	*			trans	70.3	144.8	166.2	0	0	0	0	0	121.9
343	E	25.3	Very low	24.8	Very low	200 Å²	200	147.9 Å²	147.9	94%	0.935	78%	0.781	S	S	*	*			trans	-153.7	135.4	162	-169	172.8	-141.7	0	0	112
344	E	24.4	Very low	24.2	Very low	178 Å²	178	149.8 Å²	149.8	83%	0.832	78%	0.778	S	S	*	*			trans	-140.7	120	172.1	-176.6	172.8	-153.3	0	0	112.7
345	T	24.2	Very low	24.2	Very low	111 Å²	111	153.7 Å²	153.7	68%	0.681	79%	0.785	S	S	*	*			trans	37.7	123.2	149.7	-46	0	0	0	0	121.6
346	F	20.7	Very low	24.1	Very low	201 Å²	201	149.2 Å²	149.2	88%	0.882	77%	0.774	S	S	*	*			trans	-143.7	168.2	141.8	-145.1	-100.9	0	0	0	114.5
347	M	26.7	Very low	24.1	Very low	148 Å²	148	148 Å²	148	73%	0.729	77%	0.774	S	S	*	*			trans	-126.5	153.9	-157.5	-92.9	-86.9	-145.4	0	0	115.5
348	K	24.5	Very low	24.3	Very low	193 Å²	193	145 Å²	145	84%	0.839	77%	0.771	S	S	*	*			trans	-176.4	123.9	137	-100.6	160.7	-176.8	178.8	0	109.8
349	A	26.8	Very low	24.7	Very low	81 Å²	81	146.6 Å²	146.6	67%	0.669	78%	0.779	S	S	*	*				77.8	142.3	78.6	0	0	0	0	0	112.8
350	Q	24.7	Very low	24.9	Very low	176 Å²	176	149.5 Å²	149.5	82%	0.822	79%	0.786	S	S	*	*			cis	-149	-177.4	8.6	-150.6	153.8	-69.2	0	0	107.6
351	T	24	Very low	25	Very low	122 Å²	122	150.5 Å²	150.5	75%	0.748	78%	0.783	S	S	*	*			cis	-159.2	-179.2	24.8	-49	0	0	0	0	110.2
352	E	23.4	Very low	25	Very low	169 Å²	169	152.4 Å²	152.4	79%	0.79	79%	0.785	S	S	*	*			trans	-126.9	178.2	-175.7	-58.3	-176.9	126.2	0	0	115.3
353	K	23.5	Very low	25	Very low	182 Å²	182	155.2 Å²	155.2	79%	0.791	79%	0.787	S	S	*	*			trans	88.1	144.8	167	-57	-173.4	178.1	-174.8	0	116.3
354	H	24.8	Very low	24.9	Very low	176 Å²	176	150.8 Å²	150.8	82%	0.815	78%	0.778	S	S	*	*			cis	-140.2	172.1	22.6	-148.6	-84.5	0	0	0	113.9
355	D	23.3	Very low	25.7	Very low	140 Å²	140	148 Å²	148	75%	0.749	78%	0.775	S	S	*	*			trans	-112.7	151.2	-175	-153.3	-9.1	0	0	0	112.5
356	S	22.6	Very low	25.7	Very low	98 Å²	98	147.5 Å²	147.5	69%	0.685	78%	0.782	S	S	*	*			trans	167.2	125	149.8	61.6	0	0	0	0	117.4
357	D	24.4	Very low	25.9	Very low	162 Å²	162	142.7 Å²	142.7	87%	0.866	78%	0.779	S	S	*	*			trans	75.9	154.1	136.5	-65.4	-28.3	0	0	0	126.6
358	T	24.6	Very low	25.8	Very low	123 Å²	123	140 Å²	140	76%	0.755	78%	0.781	S	S	*	*			trans	-124.3	156.7	179.1	-20.2	0	0	0	0	109.9
359	P	34	Very low	25.8	Very low	129 Å²	129	139.7 Å²	139.7	84%	0.838	78%	0.782	S	S	*	*				-151.6	-162.3	98.9	38.2	-17.8	0	0	0	115
360	N	26.8	Very low	25.6	Very low	127 Å²	127	147.2 Å²	147.2	68%	0.679	79%	0.793	S	S	*	*			trans	-126.3	174.6	-163	-99.2	-46.4	0	0	0	115.8
361	Y	27.5	Very low	25.9	Very low	203 Å²	203	144.7 Å²	144.7	80%	0.796	79%	0.792	S	S	*	*			trans	87.5	142.9	167.3	-52.1	-69.2	0	0	0	116.7
362	F	24.3	Very low	26.1	Very low	193 Å²	193	148.8 Å²	148.8	85%	0.846	80%	0.8	S	S	*	*			cis	-145.7	162.4	40.1	-97.4	-103.4	0	0	0	116.7
363	L	25.7	Very low	26.3	Very low	147 Å²	147	146.1 Å²	146.1	77%	0.77	80%	0.799	S	S	*	*			trans	71.9	93.9	150.2	-75.3	156.8	0	0	0	124.6
364	S	22.2	Very low	26.4	Very low	107 Å²	107	146 Å²	146	75%	0.748	80%	0.802	S	S	*	*				29	161.8	113.8	-66.7	0	0	0	0	124.7
365	P	41.9	Very low	26.5	Very low	121 Å²	121	147.2 Å²	147.2	79%	0.786	81%	0.805	S	S	*	*			cis	-147	176.3	-28.9	40.2	-21.5	0	0	0	117.8
366	A	23.2	Very low	26.4	Very low	99 Å²	99	146.3 Å²	146.3	82%	0.818	81%	0.808	S	S	*	*			trans	124.7	148.1	135.8	0	0	0	0	0	121.9
367	A	24.5	Very low	26.6	Very low	100 Å²	100	146.8 Å²	146.8	83%	0.826	81%	0.806	S	S	*	*			trans	89.1	93.6	155.1	0	0	0	0	0	124.8
368	A	24.6	Very low	26.6	Very low	93 Å²	93	143.8 Å²	143.8	77%	0.769	80%	0.804	S	S	*	*				66.3	117.9	125.8	0	0	0	0	0	126.9
369	H	24.3	Very low	26.6	Very low	185 Å²	185	147.1 Å²	147.1	86%	0.856	80%	0.804	S	S	*	*			trans	44	114.2	136.4	-73.2	-70.5	0	0	0	125
370	R	24	Very low	26.1	Very low	239 Å²	239	150.7 Å²	150.7	90%	0.902	81%	0.807	S	S	*	*				170	154.1	105	-97.6	-168.1	174.9	-166.6	-0.1	113.2
371	P	30.2	Very low	26.1	Very low	123 Å²	123	154.1 Å²	154.1	80%	0.799	82%	0.816	S	S	*	*			trans	-88.6	160	178.8	35.8	-35.4	0	0	0	114.6
372	K	27.9	Very low	25.9	Very low	209 Å²	209	155.4 Å²	155.4	91%	0.909	82%	0.819	S	S	*	*			trans	-130.4	160.4	169.8	-69.8	175.2	-178	173.6	0	107.3
373	S	28	Very low	26	Very low	112 Å²	112	153.8 Å²	153.8	78%	0.783	82%	0.819	S	S	*	*			cis	169.5	140.3	-16	176.4	0	0	0	0	103.7
374	Q	25.3	Very low	26	Very low	180 Å²	180	153.2 Å²	153.2	84%	0.841	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-88.6	131	-170.1	-175	175.4	-6.6	0	0	111.4
375	K	26.6	Very low	26.4	Very low	202 Å²	202	153.9 Å²	153.9	88%	0.878	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-101.4	122.7	175.7	-74.7	-172	176.6	-178.2	0	111.6
376	C	22.2	Very low	25.6	Very low	120 Å²	120	157.1 Å²	157.1	81%	0.811	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-84.3	152.9	166.1	-63.2	0	0	0	0	110.5
377	V	26.8	Very low	25.9	Very low	108 Å²	108	156.6 Å²	156.6	66%	0.655	82%	0.818	S	S	*	*			trans	-125.3	127.5	166.1	178.9	0	0	0	0	107.2	Y379	V377-Y379 HydrophobicContact CG1-CD1 4.49Å; V377-Y379 HydrophobicContact CG1-CE1 3.9Å
378	A	23.2	Very low	26.1	Very low	100 Å²	100	159.5 Å²	159.5	83%	0.826	82%	0.819	S	S	*	*			trans	-102.4	141.5	-178.8	0	0	0	0	0	111.1
379	Y	26.6	Very low	26.2	Very low	192 Å²	192	158.3 Å²	158.3	75%	0.753	82%	0.816	S	S	*	*			trans	-110.3	130.6	177	-40.1	-65.8	0	0	0	109.6	V377	V377-Y379 HydrophobicContact CG1-CD1 4.49Å; V377-Y379 HydrophobicContact CG1-CE1 3.9Å
380	K	23	Very low	26.3	Very low	205 Å²	205	156.6 Å²	156.6	89%	0.891	82%	0.819	S	S	*	*			trans	-108.9	96.7	-169.2	-176.5	179.6	-177.4	175.6	0	110.7
381	F	25.9	Very low	26.5	Very low	199 Å²	199	154.2 Å²	154.2	87%	0.873	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-80.1	131.5	173.7	-78.8	-85.3	0	0	0	111.4
382	R	24.1	Very low	26.4	Very low	229 Å²	229	157.6 Å²	157.6	86%	0.864	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-93.4	129.7	162.9	-87.6	-175.3	164.4	-171.7	-3.7	108.5
383	L	26	Very low	26.5	Very low	160 Å²	160	154.6 Å²	154.6	84%	0.838	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-77.1	142.8	158.8	-120.8	86.7	0	0	0	109	V385	L383-V385 HydrophobicContact CD2-CG2 4.34Å
384	V	25.8	Very low	26.6	Very low	134 Å²	134	156.6 Å²	156.6	81%	0.812	82%	0.819	S	S	*	*			trans	-122.6	113.3	167.1	177.1	0	0	0	0	107.2
385	V	30.4	Very low	27	Very low	122 Å²	122	155.9 Å²	155.9	74%	0.739	82%	0.821	S	S	*	*			trans	-96	127.9	171.2	178.7	0	0	0	0	107.5	L383	L383-V385 HydrophobicContact CD2-CG2 4.34Å
386	K	24.3	Very low	27.1	Very low	189 Å²	189	149.7 Å²	149.7	82%	0.822	81%	0.814	S	S	*	*			trans	-85	110.6	173.4	-172.6	-173.6	178.2	-164.6	0	108.5
387	A	30.9	Very low	27.5	Very low	88 Å²	88	150 Å²	150	73%	0.727	82%	0.816	S	S	*	*			trans	-82.7	145.3	167	0	0	0	0	0	109.9
388	D	28.1	Very low	27.6	Very low	160 Å²	160	153.2 Å²	153.2	86%	0.856	82%	0.824	S	S	*	*			trans	-100.6	146.7	160.5	-128.2	-31.9	0	0	0	108.3
389	G	27.3	Very low	28.1	Very low	68 Å²	68	158.3 Å²	158.3	70%	0.701	83%	0.827	S	S	*	*			trans	-109.4	139.7	-156.6	0	0	0	0	0	116.2
390	T	26.7	Very low	28.2	Very low	149 Å²	149	155.1 Å²	155.1	91%	0.914	83%	0.828	S	S	*	*			trans	-146.6	150.8	150	-12.5	0	0	0	0	109
391	Q	27.9	Very low	28.4	Very low	189 Å²	189	155 Å²	155	88%	0.883	83%	0.827	S	S	*	*			trans	-88.7	150.2	-175.3	-61.6	168.7	-89.3	0	0	111.7
392	E	27.4	Very low	28.5	Very low	195 Å²	195	153 Å²	153	91%	0.911	82%	0.824	S	S	*	*				-165.6	165.7	121.4	-112.7	178.6	-177.1	0	0	112.5
393	N	29.5	Very low	28.7	Very low	145 Å²	145	149.6 Å²	149.6	78%	0.775	82%	0.82	S	S	*	*			trans	-91.4	140.9	-176.9	-72.2	-32.8	0	0	0	111.9
394	N	30.6	Very low	28.8	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	82%	0.818	S	S	*	*				175.6	169.4	112.7	-95.9	-52.1	0	0	0	114.4
395	N	33.6	Very low	28.9	Very low	165 Å²	165	147.1 Å²	147.1	88%	0.882	82%	0.818	S	S	*	*			trans	-67.5	142.6	178.2	-57.5	-50.7	0	0	0	112.9
396	G	28.9	Very low	28.8	Very low	71 Å²	71	147 Å²	147	73%	0.732	82%	0.822	S	S	*	*			trans	169.7	125.8	165.3	0	0	0	0	0	114.8
397	C	31.6	Very low	29.1	Very low	127 Å²	127	147.2 Å²	147.2	86%	0.858	82%	0.823	S	S	*	*			trans	-94.7	114.3	169.4	179.3	0	0	0	0	109.8
398	H	28.7	Very low	29.3	Very low	175 Å²	175	148.8 Å²	148.8	81%	0.81	83%	0.826	S	S	*	*			trans	-131.4	129.5	170.9	-82.6	-71.4	0	0	0	113	V400	H398-V400 PolarHBondContact O-N 3.04Å
399	K	32.5	Very low	29.5	Very low	207 Å²	207	148.2 Å²	148.2	90%	0.9	83%	0.828	S	S	*	*			trans	-92.6	93.8	-175.8	-177.9	-179.5	-177.9	177.1	0	110.1
400	V	29.1	Very low	29.8	Very low	126 Å²	126	149.3 Å²	149.3	76%	0.764	83%	0.831	S	S	*	*			trans	-79.9	128.5	-179.8	-177.9	0	0	0	0	111.1	H398 I402	H398-V400 PolarHBondContact O-N 3.04Å; V400-I402 HydrophobicContact CG1-CG1 4.48Å
401	K	26.4	Very low	30.1	Very low	202 Å²	202	152 Å²	152	88%	0.878	83%	0.83	S	S	*	*			trans	-101.5	108.3	178.9	-179.9	-174.2	178.9	-173.9	0	109.1
402	I	29.3	Very low	30.2	Very low	157 Å²	157	152.1 Å²	152.1	81%	0.805	83%	0.83	S	S	*	*			trans	-85.9	131.8	179.4	-58.9	178.6	0	0	0	110	V400	V400-I402 HydrophobicContact CG1-CG1 4.48Å
403	M	28.2	Very low	30.4	Very low	157 Å²	157	148.3 Å²	148.3	77%	0.773	82%	0.823	S	S	*	*			trans	-114	136	175.5	-174.9	168.9	69.3	0	0	108.5
404	P	28	Very low	30.4	Very low	123 Å²	123	146.6 Å²	146.6	80%	0.799	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-70.2	134	-178.8	28.4	-34.2	0	0	0	111
405	C	26.8	Very low	30.8	Very low	120 Å²	120	146 Å²	146	81%	0.811	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-80.9	143.7	177.2	-66.5	0	0	0	0	111.6
406	S	29.6	Very low	31	Very low	119 Å²	119	147.8 Å²	147.8	83%	0.832	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-80.1	143	172	40.8	0	0	0	0	111.5
407	F	30.1	Very low	31.1	Very low	193 Å²	193	147.7 Å²	147.7	85%	0.846	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-93.1	145.6	171.5	-75.6	-87.9	0	0	0	111
408	P	34.6	Very low	31.6	Very low	121 Å²	121	150.1 Å²	150.1	79%	0.786	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-74.8	145.9	-179.6	30.6	-35	0	0	0	112.6	A410	P408-A410 PolarHBondContact O-N 2.92Å
409	V	32.8	Very low	32.1	Very low	148 Å²	148	148.6 Å²	148.6	90%	0.897	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-76.3	120	178.4	177.7	0	0	0	0	110.8
410	A	33.4	Very low	32.7	Very low	92 Å²	92	142.7 Å²	142.7	76%	0.76	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-93.2	149.1	168.6	0	0	0	0	0	111.2	P408	P408-A410 PolarHBondContact O-N 2.92Å
411	K	33.4	Very low	33.6	Very low	204 Å²	204	141.1 Å²	141.1	89%	0.887	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-75.8	148.3	-174.3	-64	177.1	179.3	177.3	0	112.7
412	E	29.1	Very low	34.8	Very low	193 Å²	193	136.2 Å²	136.2	90%	0.902	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-64.4	140	174.2	-62.4	-171.7	137.4	0	0	113.2
413	P	33.1	Very low	35.9	Very low	115 Å²	115	131.7 Å²	131.7	75%	0.747	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-102	141	154.4	33.4	-25.2	0	0	0	111.7
414	S	29.4	Very low	37.1	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-55.4	136	-172.5	-173.9	0	0	0	0	115.4	K416	S414-K416 PolarHBondContact O-N 3.4Å
415	T	37.4	Very low	38.3	Very low	143 Å²	143	130.3 Å²	130.3	88%	0.877	75%	0.747	S	S	*	*			trans	-73.7	85.4	178.7	36.4	0	0	0	0	113.6
416	K	37.7	Very low	39.7	Very low	201 Å²	201	130.3 Å²	130.3	87%	0.874	74%	0.736	S	S	*	*			trans	-130.9	89.6	164.7	-73.2	-173.3	179.2	176.3	0	112.2	S414	S414-K416 PolarHBondContact O-N 3.4Å
417	G	32.4	Very low	41.3	Very low	70 Å²	70	126.3 Å²	126.3	72%	0.722	71%	0.707	S	S	*	*			trans	176.1	89	175.5	0	0	0	0	0	112.2	N419	G417-N419 PolarHBondContact O-N 3.34Å
418	L	41.5	Very low	42.6	Very low	177 Å²	177	123.7 Å²	123.7	93%	0.927	70%	0.695	S	S	*	*			trans	-72.2	97.7	-179.7	-177.3	66.7	0	0	0	110.6
419	N	39.4	Very low	44	Very low	144 Å²	144	127 Å²	127	77%	0.77	69%	0.692	S	S	*	*			trans	-59.6	129.4	173.3	-95.2	-41	0	0	0	110.7	G417 N421	G417-N419 PolarHBondContact O-N 3.34Å; N419-N421 PolarHBondContact O-N 3.2Å; N419-N421 VanDerWaalsContact O-N 3.07Å
420	P	45	Very low	45.5	Very low	83 Å²	83	125.2 Å²	125.2	54%	0.539	67%	0.672	S	S	.	*			trans	-70.6	108.7	-178.3	25.9	-32	0	0	0	111	Q425	P420-Q425 PolarHBondContact O-NE2 2.87Å
421	N	47.7	Very low	47	Very low	93 Å²	93	127.8 Å²	127.8	50%	0.497	66%	0.662	S	S	.	*			trans	-35.5	121.5	-174.9	-166.7	-10.8	0	0	0	113.1	N419 S423 H424 Q425	N419-N421 PolarHBondContact O-N 3.2Å; N419-N421 VanDerWaalsContact O-N 3.07Å; N421-S423 VanDerWaalsContact C-N 3.28Å; N421-S423 PolarHBondContact O-N 2.85Å; N421-S423 PolarHBondContact OD1-OG 2.83Å; N421-H424 HydrophobicContact CB-CB 4.4Å; N421-H424 WeakPolarHBondContact O-CA 3.28Å; N421-H424 WeakPolarHBondContact O-CB 3.33Å; N421-H424 PolarHBondContact O-N 3.47Å; N421-Q425 PolarHBondContact O-N 3Å
422	P	52.8	Low	48.4	Very low	99 Å²	99	124 Å²	124	64%	0.643	65%	0.649	S	S	*	*	H	α-helix	trans	-60.5	-32	-169.8	20.2	-33.3	0	0	0	114.2	H424 Q425 M426	P422-H424 VanDerWaalsContact C-N 3.28Å; P422-H424 PolarHBondContact O-N 3.25Å; P422-Q425 PolarHBondContact O-N 3.46Å; P422-M426 PolarHBondContact O-N 3.02Å
423	S	51.8	Low	50.1	Low	62 Å²	62	118 Å²	118	43%	0.434	63%	0.625	S	S	.	*	H	α-helix	trans	-54.6	-46	171.5	56.1	0	0	0	0	111.7	N421 Q425 M426 T427	N421-S423 VanDerWaalsContact C-N 3.28Å; N421-S423 PolarHBondContact O-N 2.85Å; N421-S423 PolarHBondContact OD1-OG 2.83Å; S423-Q425 VanDerWaalsContact C-N 3.3Å; S423-Q425 PolarHBondContact O-N 3.3Å; S423-M426 WeakPolarHBondContact O-CB 3.44Å; S423-M426 PolarHBondContact O-N 3.44Å; S423-T427 PolarHBondContact O-N 2.95Å; S423-T427 PolarHBondContact O-OG1 2.76Å
424	H	53.8	Low	51.6	Low	137 Å²	137	113.7 Å²	113.7	63%	0.634	60%	0.596	S	S	*	*	H	α-helix	trans	-71.6	-22.8	-178.2	-152.4	-39.2	0	0	0	112.9	N421 P422 T427 K428	N421-H424 HydrophobicContact CB-CB 4.4Å; N421-H424 WeakPolarHBondContact O-CA 3.28Å; N421-H424 WeakPolarHBondContact O-CB 3.33Å; N421-H424 PolarHBondContact O-N 3.47Å; P422-H424 VanDerWaalsContact C-N 3.28Å; P422-H424 PolarHBondContact O-N 3.25Å; H424-T427 PolarHBondContact O-OG1 2.88Å; H424-K428 VanDerWaalsContact O-CB 3.29Å; H424-K428 WeakPolarHBondContact O-CB 3.36Å; H424-K428 PolarHBondContact O-N 3.19Å
425	Q	53.5	Low	53.3	Low	114 Å²	114	111.8 Å²	111.8	53%	0.533	58%	0.579	S	S	.	*	H	α-helix	trans	-75.8	-40.3	166.5	-61	-166	47.6	0	0	111.6	P420 N421 P422 S423 K428 R429	P420-Q425 PolarHBondContact O-NE2 2.87Å; N421-Q425 PolarHBondContact O-N 3Å; P422-Q425 PolarHBondContact O-N 3.46Å; S423-Q425 VanDerWaalsContact C-N 3.3Å; S423-Q425 PolarHBondContact O-N 3.3Å; Q425-K428 PolarHBondContact O-N 3.01Å; Q425-R429 WeakPolarHBondContact O-CB 3.26Å; Q425-R429 PolarHBondContact O-N 3.41Å
426	M	55.1	Low	54.6	Low	119 Å²	119	112.7 Å²	112.7	59%	0.586	57%	0.571	S	S	*	*	H	α-helix	trans	-65.4	-42.9	-179.5	-146.9	-159.4	-137.6	0	0	111.8	P422 S423 R429 K430	P422-M426 PolarHBondContact O-N 3.02Å; S423-M426 WeakPolarHBondContact O-CB 3.44Å; S423-M426 PolarHBondContact O-N 3.44Å; M426-R429 PolarHBondContact O-N 2.92Å; M426-K430 WeakPolarHBondContact O-CG 3.26Å; M426-K430 PolarHBondContact O-N 3.48Å
427	T	62.5	Low	55.9	Low	36 Å²	36	104.5 Å²	104.5	22%	0.221	54%	0.536	C	S	.	.	H	α-helix	trans	-64.2	-43	173.7	56.2	0	0	0	0	111.7	S423 H424 R429 K430 R431	S423-T427 PolarHBondContact O-N 2.95Å; S423-T427 PolarHBondContact O-OG1 2.76Å; H424-T427 PolarHBondContact O-OG1 2.88Å; T427-R429 VanDerWaalsContact C-N 3.32Å; T427-R429 PolarHBondContact O-N 2.71Å; T427-K430 PolarHBondContact O-N 2.66Å; T427-R431 WeakPolarHBondContact O-CB 3.08Å; T427-R431 PolarHBondContact O-N 3.46Å
428	K	58.8	Low	57.6	Low	138 Å²	138	107.3 Å²	107.3	60%	0.6	53%	0.525	S	S	*	.	H	α-helix	trans	-59.7	-39.5	174.2	-168.5	174	-175.9	176.9	0	112	H424 Q425 M432	H424-K428 VanDerWaalsContact O-CB 3.29Å; H424-K428 WeakPolarHBondContact O-CB 3.36Å; H424-K428 PolarHBondContact O-N 3.19Å; Q425-K428 PolarHBondContact O-N 3.01Å; K428-M432 WeakPolarHBondContact O-CG 3.39Å; K428-M432 PolarHBondContact O-N 3.11Å
429	R	62.8	Low	58.8	Low	189 Å²	189	104.1 Å²	104.1	71%	0.713	50%	0.504	S	S	*	.	H	α-helix	trans	-66.9	-46.2	174.7	-165.2	173.6	-176.8	175.7	-0.3	111.8	Q425 M426 T427 R431 M432 V433	Q425-R429 WeakPolarHBondContact O-CB 3.26Å; Q425-R429 PolarHBondContact O-N 3.41Å; M426-R429 PolarHBondContact O-N 2.92Å; T427-R429 VanDerWaalsContact C-N 3.32Å; T427-R429 PolarHBondContact O-N 2.71Å; R429-R431 PolarHBondContact O-N 2.99Å; R429-M432 PolarHBondContact O-N 2.93Å; R429-V433 PolarHBondContact O-N 2.88Å; R429-V433 VanDerWaalsContact O-N 3.12Å
430	K	65.9	Low	59.9	Low	112 Å²	112	98.5 Å²	98.5	49%	0.487	48%	0.477	S	S	.	.	H	α-helix	trans	-57.2	-47.2	173.4	-71.9	170.9	-179.4	175.8	0	111.4	M426 T427 M432 V433 L434	M426-K430 WeakPolarHBondContact O-CG 3.26Å; M426-K430 PolarHBondContact O-N 3.48Å; T427-K430 PolarHBondContact O-N 2.66Å; K430-M432 PolarHBondContact O-N 3.24Å; K430-V433 PolarHBondContact O-N 3.38Å; K430-L434 PolarHBondContact O-N 2.86Å
431	R	63.8	Low	61	Low	146 Å²	146	95.2 Å²	95.2	55%	0.551	46%	0.457	S	S	*	.	H	α-helix	trans	-61.2	-40.6	177.6	-172.5	171.9	176.3	176.7	-6.2	112.7	T427 R429 L434 V435	T427-R431 WeakPolarHBondContact O-CB 3.08Å; T427-R431 PolarHBondContact O-N 3.46Å; R429-R431 PolarHBondContact O-N 2.99Å; R431-L434 PolarHBondContact O-N 3.43Å; R431-V435 WeakPolarHBondContact O-CB 3.31Å; R431-V435 VanDerWaalsContact O-CG2 3.31Å; R431-V435 WeakPolarHBondContact O-CG2 3.34Å; R431-V435 PolarHBondContact O-N 3.04Å
432	M	62.2	Low	62	Low	123 Å²	123	96 Å²	96	61%	0.606	46%	0.458	S	S	*	.	H	α-helix	trans	-65.9	-35.5	175	-75.3	-170.4	-67.6	0	0	113.2	K428 R429 K430 K436	K428-M432 WeakPolarHBondContact O-CG 3.39Å; K428-M432 PolarHBondContact O-N 3.11Å; R429-M432 PolarHBondContact O-N 2.93Å; K430-M432 PolarHBondContact O-N 3.24Å; M432-K436 WeakPolarHBondContact O-CB 3.33Å; M432-K436 PolarHBondContact O-N 2.89Å; M432-K436 VanDerWaalsContact O-N 3.13Å
433	V	66.6	Low	62.7	Low	67 Å²	67	93 Å²	93	41%	0.406	44%	0.438	S	S	.	.	H	α-helix	trans	-64.6	-48.9	172.3	174.2	0	0	0	0	110.3	R429 K430 V435 K436 E437	R429-V433 PolarHBondContact O-N 2.88Å; R429-V433 VanDerWaalsContact O-N 3.12Å; K430-V433 PolarHBondContact O-N 3.38Å; V433-V435 VanDerWaalsContact C-N 3.35Å; V433-V435 PolarHBondContact O-N 2.91Å; V433-K436 WeakPolarHBondContact O-CA 3.48Å; V433-K436 WeakPolarHBondContact O-CB 3.39Å; V433-K436 PolarHBondContact O-N 2.77Å; V433-E437 HydrophobicContact CG1-CG 4.47Å; V433-E437 WeakPolarHBondContact CG1-OE1 3.32Å; V433-E437 WeakPolarHBondContact O-CG 3.46Å; V433-E437 PolarHBondContact O-N 2.86Å
434	L	64.6	Low	63.7	Low	25 Å²	25	90.4 Å²	90.4	13%	0.131	42%	0.419	C	S	.	.	H	α-helix	trans	-64.7	-36.9	-179.6	-151.1	95.3	0	0	0	112.7	R223 T224 L227 K430 R431 K436 E437 R438	R223-L434 HydrophobicContact CB-CD1 3.68Å; R223-L434 HydrophobicContact CB-CD2 4.31Å; T224-L434 WeakPolarHBondContact OG1-CD2 3.32Å; L227-L434 HydrophobicContact CD1-CB 3.98Å; L227-L434 HydrophobicContact CD1-CD1 4.24Å; L227-L434 HydrophobicContact CD1-CD2 4.12Å; L227-L434 HydrophobicContact CD1-CG 4.32Å; K430-L434 PolarHBondContact O-N 2.86Å; R431-L434 PolarHBondContact O-N 3.43Å; L434-K436 VanDerWaalsContact C-N 3.28Å; L434-K436 PolarHBondContact O-N 3.19Å; L434-E437 PolarHBondContact O-N 3.06Å; L434-R438 WeakPolarHBondContact O-CB 3.38Å; L434-R438 PolarHBondContact O-N 3.05Å
435	V	64.6	Low	64.7	Low	69 Å²	69	87 Å²	87	42%	0.418	41%	0.411	S	S	.	.	H	α-helix	trans	-64.6	-32.5	173.7	168.6	0	0	0	0	111.9	R431 V433 K439	R431-V435 WeakPolarHBondContact O-CB 3.31Å; R431-V435 VanDerWaalsContact O-CG2 3.31Å; R431-V435 WeakPolarHBondContact O-CG2 3.34Å; R431-V435 PolarHBondContact O-N 3.04Å; V433-V435 VanDerWaalsContact C-N 3.35Å; V433-V435 PolarHBondContact O-N 2.91Å; V435-K439 HydrophobicContact CG1-CD 4.27Å; V435-K439 WeakPolarHBondContact O-CB 3.4Å; V435-K439 WeakPolarHBondContact O-CD 3.23Å; V435-K439 WeakPolarHBondContact O-CG 3.15Å; V435-K439 PolarHBondContact O-N 3.39Å
436	K	63.6	Low	65.9	Low	162 Å²	162	83.6 Å²	83.6	70%	0.704	40%	0.402	S	S	*	.	H	α-helix	trans	-72	-36	173.5	-172.1	177.2	179.7	179.2	0	111.6	M432 V433 L434 A440	M432-K436 WeakPolarHBondContact O-CB 3.33Å; M432-K436 PolarHBondContact O-N 2.89Å; M432-K436 VanDerWaalsContact O-N 3.13Å; V433-K436 WeakPolarHBondContact O-CA 3.48Å; V433-K436 WeakPolarHBondContact O-CB 3.39Å; V433-K436 PolarHBondContact O-N 2.77Å; L434-K436 VanDerWaalsContact C-N 3.28Å; L434-K436 PolarHBondContact O-N 3.19Å; K436-A440 WeakPolarHBondContact O-CB 3.41Å; K436-A440 PolarHBondContact O-N 3.32Å
437	E	66.6	Low	67.3	Low	30 Å²	30	78.4 Å²	78.4	14%	0.14	38%	0.377	C	S	.	.	H	α-helix	trans	-75.9	-42.5	179	-71.3	175	-173.4	0	0	112.4	R139 V433 L434 K439 A440 A441	R139-E437 IonicContact CZ-OE1 3.9Å; R139-E437 VanDerWaalsContact CZ-OE1 3.26Å; R139-E437 IonicContact NH1-OE1 2.71Å; R139-E437 PolarHBondContact NH1-OE1 3.49Å; R139-E437 IonicContact NH2-OE1 2.63Å; R139-E437 PolarHBondContact NH2-OE1 3.31Å; V433-E437 HydrophobicContact CG1-CG 4.47Å; V433-E437 WeakPolarHBondContact CG1-OE1 3.32Å; V433-E437 WeakPolarHBondContact O-CG 3.46Å; V433-E437 PolarHBondContact O-N 2.86Å; L434-E437 PolarHBondContact O-N 3.06Å; E437-K439 VanDerWaalsContact C-N 3.3Å; E437-K439 PolarHBondContact O-N 3.38Å; E437-A440 CarbonylContact O-C 3.59Å; E437-A440 WeakPolarHBondContact O-CA 3.31Å; E437-A440 WeakPolarHBondContact O-CB 3.32Å; E437-A440 PolarHBondContact O-N 3.47Å; E437-A440 VanDerWaalsContact O-N 3.09Å; E437-A441 PolarHBondContact O-N 3.3Å
438	R	66.9	Low	68.3	Low	128 Å²	128	77.1 Å²	77.1	48%	0.483	37%	0.368	S	S	.	.	H	α-helix	trans	-58.3	-41.7	170.4	-178	173.8	176.7	176.2	0.2	111.7	T220 L434 A441 Q442	T220-R438 HydrophobicContact CG2-CB 3.95Å; T220-R438 HydrophobicContact CG2-CG 4.2Å; L434-R438 WeakPolarHBondContact O-CB 3.38Å; L434-R438 PolarHBondContact O-N 3.05Å; R438-A441 PolarHBondContact O-N 3.46Å; R438-Q442 WeakPolarHBondContact O-CG 3.4Å; R438-Q442 PolarHBondContact O-N 2.93Å
439	K	66.6	Low	69.6	Low	110 Å²	110	75.6 Å²	75.6	48%	0.478	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-45.2	172.9	-77.8	170	179.7	164.5	0	111.2	V435 E437 A441 Q442 T443	V435-K439 HydrophobicContact CG1-CD 4.27Å; V435-K439 WeakPolarHBondContact O-CB 3.4Å; V435-K439 WeakPolarHBondContact O-CD 3.23Å; V435-K439 WeakPolarHBondContact O-CG 3.15Å; V435-K439 PolarHBondContact O-N 3.39Å; E437-K439 VanDerWaalsContact C-N 3.3Å; E437-K439 PolarHBondContact O-N 3.38Å; K439-A441 VanDerWaalsContact C-N 3.31Å; K439-A441 PolarHBondContact O-N 3.23Å; K439-Q442 PolarHBondContact O-N 2.93Å; K439-T443 VanDerWaalsContact O-CG2 3.28Å; K439-T443 WeakPolarHBondContact O-CG2 3.39Å; K439-T443 PolarHBondContact O-N 3.5Å; K439-T443 PolarHBondContact O-OG1 2.98Å
440	A	63.3	Low	71	Confident	26 Å²	26	67.4 Å²	67.4	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-58	-41.6	174.7	0	0	0	0	0	112.6	K436 E437 T443 L444	K436-A440 WeakPolarHBondContact O-CB 3.41Å; K436-A440 PolarHBondContact O-N 3.32Å; E437-A440 CarbonylContact O-C 3.59Å; E437-A440 WeakPolarHBondContact O-CA 3.31Å; E437-A440 WeakPolarHBondContact O-CB 3.32Å; E437-A440 PolarHBondContact O-N 3.47Å; E437-A440 VanDerWaalsContact O-N 3.09Å; A440-T443 WeakPolarHBondContact CA-OG1 3.16Å; A440-T443 PolarHBondContact O-N 3.05Å; A440-T443 PolarHBondContact O-OG1 2.94Å; A440-L444 WeakPolarHBondContact O-CD1 3.45Å; A440-L444 VanDerWaalsContact O-CG 3.26Å; A440-L444 WeakPolarHBondContact O-CG 3.25Å; A440-L444 PolarHBondContact O-N 3.37Å; A440-L444 VanDerWaalsContact O-N 3.12Å
441	A	67.1	Low	72.2	Confident	15 Å²	15	62.1 Å²	62.1	12%	0.124	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-46.8	175.4	0	0	0	0	0	112.3	I216 E437 R438 K439 T443 L444 S445	I216-A441 HydrophobicContact CG2-CB 4.12Å; E437-A441 PolarHBondContact O-N 3.3Å; R438-A441 PolarHBondContact O-N 3.46Å; K439-A441 VanDerWaalsContact C-N 3.31Å; K439-A441 PolarHBondContact O-N 3.23Å; A441-T443 VanDerWaalsContact C-N 3.29Å; A441-T443 PolarHBondContact O-N 3.48Å; A441-L444 PolarHBondContact O-N 3.25Å; A441-S445 PolarHBondContact O-N 2.97Å
442	Q	68.9	Low	73.5	Confident	110 Å²	110	57.8 Å²	57.8	51%	0.514	30%	0.303	S	S	.	.	H	α-helix	trans	-56.7	-42.8	174.1	-71.3	174.5	-57.2	0	0	111.9	R438 K439 L444 S445 A446	R438-Q442 WeakPolarHBondContact O-CG 3.4Å; R438-Q442 PolarHBondContact O-N 2.93Å; K439-Q442 PolarHBondContact O-N 2.93Å; Q442-L444 VanDerWaalsContact C-N 3.29Å; Q442-L444 PolarHBondContact O-N 2.99Å; Q442-S445 PolarHBondContact O-N 3.23Å; Q442-A446 PolarHBondContact O-N 2.75Å
443	T	67.8	Low	75	Confident	36 Å²	36	56.9 Å²	56.9	22%	0.221	30%	0.3	C	S	.	.	H	α-helix	trans	-67.2	-29.7	-179.3	56.8	0	0	0	0	114.2	K439 A440 A441 C498	K439-T443 VanDerWaalsContact O-CG2 3.28Å; K439-T443 WeakPolarHBondContact O-CG2 3.39Å; K439-T443 PolarHBondContact O-N 3.5Å; K439-T443 PolarHBondContact O-OG1 2.98Å; A440-T443 WeakPolarHBondContact CA-OG1 3.16Å; A440-T443 PolarHBondContact O-N 3.05Å; A440-T443 PolarHBondContact O-OG1 2.94Å; A441-T443 VanDerWaalsContact C-N 3.29Å; A441-T443 PolarHBondContact O-N 3.48Å; T443-C498 VanDerWaalsContact CA-SG 3.52Å; T443-C498 VanDerWaalsContact CB-CB 3.41Å; T443-C498 WeakPolarHBondContact CB-SG 3.25Å; T443-C498 VanDerWaalsContact CG2-CA 3.46Å; T443-C498 HydrophobicContact CG2-CB 3.23Å; T443-C498 WeakPolarHBondContact CG2-SG 3.38Å; T443-C498 PolarHBondContact O-SG 2.98Å
444	L	72.4	Confident	76.3	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-77.7	-39.2	175.4	-70.3	161.3	0	0	0	110.6	I124 R128 Y213 A440 A441 Q442 A446 I447 L448	I124-L444 HydrophobicContact CG2-CD2 3.75Å; R128-L444 HydrophobicContact CB-CD1 4Å; R128-L444 HydrophobicContact CG-CD1 3.55Å; R128-L444 HydrophobicContact CG-CD2 4.17Å; Y213-L444 HydrophobicContact CE1-CB 3.64Å; A440-L444 WeakPolarHBondContact O-CD1 3.45Å; A440-L444 VanDerWaalsContact O-CG 3.26Å; A440-L444 WeakPolarHBondContact O-CG 3.25Å; A440-L444 PolarHBondContact O-N 3.37Å; A440-L444 VanDerWaalsContact O-N 3.12Å; A441-L444 PolarHBondContact O-N 3.25Å; Q442-L444 VanDerWaalsContact C-N 3.29Å; Q442-L444 PolarHBondContact O-N 2.99Å; L444-A446 PolarHBondContact O-N 3.18Å; L444-I447 WeakPolarHBondContact O-CB 3.45Å; L444-I447 PolarHBondContact O-N 2.89Å; L444-I447 VanDerWaalsContact O-N 3.08Å; L444-L448 PolarHBondContact O-N 3.03Å; L444-L448 VanDerWaalsContact O-N 3.11Å
445	S	75	Confident	77.7	Confident	65 Å²	65	54.1 Å²	54.1	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-32.5	177.8	-164.3	0	0	0	0	112.7	A441 Q442 L449	A441-S445 PolarHBondContact O-N 2.97Å; Q442-S445 PolarHBondContact O-N 3.23Å; S445-L449 WeakPolarHBondContact O-CB 3.44Å; S445-L449 PolarHBondContact O-N 3.36Å
446	A	79.4	Confident	79.2	Confident	42 Å²	42	52.6 Å²	52.6	35%	0.347	27%	0.272	S	S	.	.	H	α-helix	trans	-66	-37.9	174	0	0	0	0	0	112.5	Q442 L444 L449 A450	Q442-A446 PolarHBondContact O-N 2.75Å; L444-A446 PolarHBondContact O-N 3.18Å; A446-L449 PolarHBondContact O-N 3.46Å; A446-A450 WeakPolarHBondContact O-CB 3.4Å; A446-A450 PolarHBondContact O-N 3.38Å
447	I	83	Confident	80.7	Confident	11 Å²	11	47.4 Å²	47.4	6%	0.056	26%	0.255	C	S	.	.	H	α-helix	trans	-67.8	-46	177.4	-61.6	159.7	0	0	0	110.1	L121 L444 L449 A450 F451 C494 Y495	L121-I447 HydrophobicContact CD2-CG2 3.61Å; L444-I447 WeakPolarHBondContact O-CB 3.45Å; L444-I447 PolarHBondContact O-N 2.89Å; L444-I447 VanDerWaalsContact O-N 3.08Å; I447-L449 PolarHBondContact O-N 3.5Å; I447-A450 PolarHBondContact O-N 2.87Å; I447-F451 WeakPolarHBondContact O-CB 3.17Å; I447-F451 PolarHBondContact O-N 2.87Å; I447-C494 HydrophobicContact CG1-CB 3.75Å; I447-Y495 HydrophobicContact CD1-CD1 4.03Å; I447-Y495 HydrophobicContact CD1-CE1 3.71Å; I447-Y495 HydrophobicContact CG1-CE1 4.43Å
448	L	84.4	Confident	82	Confident	9 Å²	9	47.3 Å²	47.3	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-38.6	175.6	-74.3	-158.6	0	0	0	113	M209 Y213 L444 F451 I452	M209-L448 HydrophobicContact CB-CD1 3.93Å; M209-L448 HydrophobicContact CB-CD2 4.32Å; M209-L448 HydrophobicContact CE-CD2 4.5Å; M209-L448 HydrophobicContact SD-CD2 3.67Å; Y213-L448 HydrophobicContact CD1-CD1 3.62Å; Y213-L448 HydrophobicContact CD1-CG 4.17Å; Y213-L448 HydrophobicContact CD2-CD1 3.43Å; Y213-L448 VanDerWaalsContact CD2-CD1 3.43Å; Y213-L448 HydrophobicContact CD2-CG 4.44Å; Y213-L448 HydrophobicContact CE1-CD1 3.65Å; Y213-L448 HydrophobicContact CE1-CG 3.75Å; Y213-L448 HydrophobicContact CE2-CD1 3.48Å; Y213-L448 VanDerWaalsContact CE2-CD1 3.48Å; Y213-L448 HydrophobicContact CE2-CG 4.07Å; Y213-L448 HydrophobicContact CG-CD1 3.47Å; Y213-L448 VanDerWaalsContact CG-CD1 3.47Å; Y213-L448 HydrophobicContact CG-CG 4.47Å; L444-L448 PolarHBondContact O-N 3.03Å; L444-L448 VanDerWaalsContact O-N 3.11Å; L448-F451 PolarHBondContact O-N 3.38Å; L448-I452 VanDerWaalsContact O-CG1 3.32Å; L448-I452 WeakPolarHBondContact O-CG1 3.23Å; L448-I452 PolarHBondContact O-N 3.06Å
449	L	87	Confident	83.2	Confident	106 Å²	106	41.7 Å²	41.7	56%	0.555	23%	0.233	S	C	*	.	H	α-helix	trans	-65.3	-42.1	178.4	-176.7	60.4	0	0	0	111.2	S445 A446 I447 I452 I453	S445-L449 WeakPolarHBondContact O-CB 3.44Å; S445-L449 PolarHBondContact O-N 3.36Å; A446-L449 PolarHBondContact O-N 3.46Å; I447-L449 PolarHBondContact O-N 3.5Å; L449-I452 PolarHBondContact O-N 2.8Å; L449-I453 HydrophobicContact CD1-CD1 3.91Å; L449-I453 HydrophobicContact CD1-CG1 4.3Å; L449-I453 HydrophobicContact CG-CD1 3.84Å; L449-I453 WeakPolarHBondContact O-CB 3.21Å; L449-I453 WeakPolarHBondContact O-CD1 3.3Å; L449-I453 VanDerWaalsContact O-CG1 3.24Å; L449-I453 WeakPolarHBondContact O-CG1 3.34Å; L449-I453 PolarHBondContact O-N 2.89Å
450	A	90.4	Very high	84.5	Confident	17 Å²	17	40.4 Å²	40.4	14%	0.14	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-45.2	172.7	0	0	0	0	0	111.9	A446 I447 I453 T454 V490	A446-A450 WeakPolarHBondContact O-CB 3.4Å; A446-A450 PolarHBondContact O-N 3.38Å; I447-A450 PolarHBondContact O-N 2.87Å; A450-I453 PolarHBondContact O-N 3.43Å; A450-T454 WeakPolarHBondContact O-CB 3.2Å; A450-T454 WeakPolarHBondContact O-CG2 3.43Å; A450-T454 PolarHBondContact O-N 3.48Å; A450-T454 PolarHBondContact O-OG1 3.38Å; A450-V490 HydrophobicContact CB-CG1 3.8Å
451	F	90.9	Very high	85.9	Confident	1 Å²	1	40.4 Å²	40.4	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-47.5	177.4	176.3	-103.3	0	0	0	112.5	V118 L121 F202 V206 M209 I447 L448 T454 W455	V118-F451 HydrophobicContact CB-CZ 4.37Å; V118-F451 HydrophobicContact CG1-CZ 3.98Å; V118-F451 HydrophobicContact CG2-CE2 3.89Å; V118-F451 HydrophobicContact CG2-CZ 3.83Å; L121-F451 HydrophobicContact CD1-CB 3.99Å; L121-F451 HydrophobicContact CD1-CD1 4.38Å; L121-F451 HydrophobicContact CD1-CD2 3.43Å; L121-F451 VanDerWaalsContact CD1-CD2 3.43Å; L121-F451 HydrophobicContact CD1-CE2 4Å; L121-F451 HydrophobicContact CD1-CG 3.66Å; F202-F451 HydrophobicContact CD2-CZ 4.31Å; F202-F451 HydrophobicContact CE2-CE1 4.09Å; F202-F451 HydrophobicContact CE2-CZ 4.13Å; V206-F451 HydrophobicContact CG2-CE1 3.8Å; M209-F451 HydrophobicContact CE-CD1 3.93Å; M209-F451 HydrophobicContact CE-CE1 3.54Å; M209-F451 HydrophobicContact CE-CZ 4.34Å; I447-F451 WeakPolarHBondContact O-CB 3.17Å; I447-F451 PolarHBondContact O-N 2.87Å; L448-F451 PolarHBondContact O-N 3.38Å; F451-T454 WeakPolarHBondContact CA-OG1 3.49Å; F451-T454 PolarHBondContact O-N 3.39Å; F451-T454 PolarHBondContact O-OG1 3.32Å; F451-W455 AromaticContact CD2-CD1 3.28Å; F451-W455 AromaticContact CD2-CG 3.96Å; F451-W455 HydrophobicContact CD2-CG 3.96Å; F451-W455 AromaticContact CD2-NE1 3.58Å; F451-W455 HydrophobicContact CE2-CB 4.32Å; F451-W455 AromaticContact CE2-CD1 3.3Å; F451-W455 AromaticContact CE2-CD2 3.86Å; F451-W455 HydrophobicContact CE2-CD2 3.86Å; F451-W455 AromaticContact CE2-CE2 3.88Å; F451-W455 AromaticContact CE2-CG 3.55Å; F451-W455 HydrophobicContact CE2-CG 3.55Å; F451-W455 AromaticContact CE2-NE1 3.48Å; F451-W455 HydrophobicContact CZ-CB 4.39Å; F451-W455 HydrophobicContact CZ-CD2 4.4Å; F451-W455 HydrophobicContact CZ-CG 4.03Å; F451-W455 WeakPolarHBondContact O-CB 3.28Å; F451-W455 VanDerWaalsContact O-CD1 3.31Å; F451-W455 PolarHBondContact O-N 2.93Å
452	I	91.8	Very high	87	Confident	54 Å²	54	40.2 Å²	40.2	28%	0.277	22%	0.223	S	C	.	.	H	α-helix	trans	-62	-48.5	177.7	-69.1	167	0	0	0	110.2	V206 L448 L449 T454 T456	V206-I452 HydrophobicContact CG1-CG1 4.37Å; L448-I452 VanDerWaalsContact O-CG1 3.32Å; L448-I452 WeakPolarHBondContact O-CG1 3.23Å; L448-I452 PolarHBondContact O-N 3.06Å; L449-I452 PolarHBondContact O-N 2.8Å; I452-T454 VanDerWaalsContact C-N 3.28Å; I452-T454 PolarHBondContact O-N 2.95Å; I452-T456 WeakPolarHBondContact O-CB 3.35Å; I452-T456 PolarHBondContact O-N 2.92Å; I452-T456 PolarHBondContact O-OG1 3.44Å
453	I	93.4	Very high	88	Confident	105 Å²	105	37.5 Å²	37.5	54%	0.538	21%	0.212	S	C	.	.	H	α-helix	trans	-60.2	-38.2	-180	-70.5	168.3	0	0	0	112	L449 A450 P457	L449-I453 HydrophobicContact CD1-CD1 3.91Å; L449-I453 HydrophobicContact CD1-CG1 4.3Å; L449-I453 HydrophobicContact CG-CD1 3.84Å; L449-I453 WeakPolarHBondContact O-CB 3.21Å; L449-I453 WeakPolarHBondContact O-CD1 3.3Å; L449-I453 VanDerWaalsContact O-CG1 3.24Å; L449-I453 WeakPolarHBondContact O-CG1 3.34Å; L449-I453 PolarHBondContact O-N 2.89Å; A450-I453 PolarHBondContact O-N 3.43Å; I453-P457 VanDerWaalsContact O-CD 3.28Å; I453-P457 WeakPolarHBondContact O-CD 3.29Å
454	T	94.9	Very high	89.1	Confident	9 Å²	9	38.7 Å²	38.7	6%	0.055	22%	0.22	C	C	.	.	H	α-helix	trans	-80.1	-38.9	-176.4	44.2	0	0	0	0	113.8	A450 F451 I452 L483 V486 N487	A450-T454 WeakPolarHBondContact O-CB 3.2Å; A450-T454 WeakPolarHBondContact O-CG2 3.43Å; A450-T454 PolarHBondContact O-N 3.48Å; A450-T454 PolarHBondContact O-OG1 3.38Å; F451-T454 WeakPolarHBondContact CA-OG1 3.49Å; F451-T454 PolarHBondContact O-N 3.39Å; F451-T454 PolarHBondContact O-OG1 3.32Å; I452-T454 VanDerWaalsContact C-N 3.28Å; I452-T454 PolarHBondContact O-N 2.95Å; T454-L483 VanDerWaalsContact CB-O 3.31Å; T454-L483 WeakPolarHBondContact CB-O 3.25Å; T454-L483 HydrophobicContact CG2-CD1 4.44Å; T454-L483 HydrophobicContact CG2-CG 4.43Å; T454-L483 WeakPolarHBondContact CG2-O 3.36Å; T454-L483 WeakPolarHBondContact O-CD2 3.1Å; T454-L483 WeakPolarHBondContact O-CG 3.36Å; T454-V486 HydrophobicContact CG2-CG1 4.46Å; T454-N487 HydrophobicContact CG2-CB 4.35Å; T454-N487 WeakPolarHBondContact OG1-CB 3.46Å; T454-N487 PolarHBondContact OG1-OD1 3.42Å
455	W	94.6	Very high	89.8	Confident	25 Å²	25	40.1 Å²	40.1	10%	0.095	23%	0.23	C	C	.	.	H	α-helix	trans	-92.9	-26.3	-174.4	-73.6	75.7	0	0	0	114.6	F202 F451 N459 C484 N487	F202-W455 HydrophobicContact CD2-CB 4.16Å; F202-W455 HydrophobicContact CE2-CB 3.38Å; F202-W455 HydrophobicContact CE2-CG 4.37Å; F202-W455 HydrophobicContact CZ-CB 3.98Å; F451-W455 AromaticContact CD2-CD1 3.28Å; F451-W455 AromaticContact CD2-CG 3.96Å; F451-W455 HydrophobicContact CD2-CG 3.96Å; F451-W455 AromaticContact CD2-NE1 3.58Å; F451-W455 HydrophobicContact CE2-CB 4.32Å; F451-W455 AromaticContact CE2-CD1 3.3Å; F451-W455 AromaticContact CE2-CD2 3.86Å; F451-W455 HydrophobicContact CE2-CD2 3.86Å; F451-W455 AromaticContact CE2-CE2 3.88Å; F451-W455 AromaticContact CE2-CG 3.55Å; F451-W455 HydrophobicContact CE2-CG 3.55Å; F451-W455 AromaticContact CE2-NE1 3.48Å; F451-W455 HydrophobicContact CZ-CB 4.39Å; F451-W455 HydrophobicContact CZ-CD2 4.4Å; F451-W455 HydrophobicContact CZ-CG 4.03Å; F451-W455 WeakPolarHBondContact O-CB 3.28Å; F451-W455 VanDerWaalsContact O-CD1 3.31Å; F451-W455 PolarHBondContact O-N 2.93Å; W455-N459 PolarHBondContact O-N 3.43Å; W455-N459 PolarHBondContact O-ND2 3.42Å; W455-C484 HydrophobicContact CD2-CB 4.28Å; W455-C484 HydrophobicContact CE3-CB 4.34Å; W455-C484 HydrophobicContact CH2-CB 4.09Å; W455-C484 HydrophobicContact CZ2-CB 4.09Å; W455-C484 HydrophobicContact CZ3-CB 4.25Å; W455-N487 VanDerWaalsContact NE1-CG 3.34Å; W455-N487 PolarHBondContact NE1-ND2 2.86Å
456	T	94.1	Very high	90.3	Very high	37 Å²	37	38 Å²	38	23%	0.227	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-42.9	-176.8	-69.9	0	0	0	0	113.5	I452 Y458 N459 I460	I452-T456 WeakPolarHBondContact O-CB 3.35Å; I452-T456 PolarHBondContact O-N 2.92Å; I452-T456 PolarHBondContact O-OG1 3.44Å; T456-Y458 PolarHBondContact O-N 3.21Å; T456-N459 PolarHBondContact O-N 3.12Å; T456-I460 HydrophobicContact CG2-CD1 3.48Å; T456-I460 VanDerWaalsContact CG2-CD1 3.48Å; T456-I460 HydrophobicContact CG2-CG1 3.95Å; T456-I460 WeakPolarHBondContact O-CB 3.32Å; T456-I460 WeakPolarHBondContact O-CG1 3.49Å; T456-I460 PolarHBondContact O-N 2.03Å
457	P	95.6	Very high	90.7	Very high	53 Å²	53	43.4 Å²	43.4	34%	0.344	23%	0.23	S	C	.	.	H	α-helix	trans	-60.9	-43.3	-178.3	-28.8	39.6	0	0	0	113.7	I453 I460 M461 L483	I453-P457 VanDerWaalsContact O-CD 3.28Å; I453-P457 WeakPolarHBondContact O-CD 3.29Å; P457-I460 PolarHBondContact O-N 2.89Å; P457-M461 WeakPolarHBondContact O-CG 3.12Å; P457-M461 PolarHBondContact O-N 3.38Å; P457-L483 HydrophobicContact CB-CD2 4.06Å; P457-L483 HydrophobicContact CG-CD2 3.63Å
458	Y	94.3	Very high	90.9	Very high	27 Å²	27	45.3 Å²	45.3	11%	0.106	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-49	174.4	178	-102.7	0	0	0	111.5	Y111 T456 I460 M461 V462 W477 Y481 C484	Y111-Y458 PolarHBondContact OH-OH 3.36Å; T456-Y458 PolarHBondContact O-N 3.21Å; Y458-I460 VanDerWaalsContact C-N 3.32Å; Y458-I460 PolarHBondContact O-N 2.99Å; Y458-M461 PolarHBondContact O-N 2.88Å; Y458-M461 VanDerWaalsContact O-N 3.07Å; Y458-V462 HydrophobicContact CD1-CG2 4.13Å; Y458-V462 HydrophobicContact CE1-CG2 3.72Å; Y458-V462 HydrophobicContact CE2-CG2 4.32Å; Y458-V462 WeakPolarHBondContact O-CG2 3.33Å; Y458-V462 PolarHBondContact O-N 2.9Å; Y458-W477 HydrophobicContact CD2-CE3 4.16Å; Y458-W477 HydrophobicContact CD2-CZ3 4.14Å; Y458-W477 AromaticContact CE2-CE3 3.76Å; Y458-W477 HydrophobicContact CE2-CE3 3.76Å; Y458-W477 AromaticContact CE2-CZ3 3.64Å; Y458-W477 HydrophobicContact CE2-CZ3 3.64Å; Y458-Y481 HydrophobicContact CD2-CD2 4.18Å; Y458-Y481 AromaticContact CE2-CD2 3.54Å; Y458-Y481 HydrophobicContact CE2-CD2 3.54Å; Y458-Y481 AromaticContact CE2-CE2 3.72Å; Y458-Y481 HydrophobicContact CE2-CE2 3.72Å; Y458-Y481 AromaticContact CZ-CE2 3.87Å; Y458-C484 VanDerWaalsContact CB-SG 3.56Å
459	N	93.1	Very high	90.6	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.059	28%	0.28	C	S	.	.	H	α-helix	trans	-67.6	-29.9	-178.6	-74.7	-89.5	0	0	0	113.1	F202 Y203 W455 T456 L463	F202-N459 WeakPolarHBondContact CB-OD1 3.4Å; F202-N459 HydrophobicContact CD1-CB 3.38Å; F202-N459 HydrophobicContact CE1-CB 3.56Å; F202-N459 HydrophobicContact CG-CB 4Å; F202-N459 WeakPolarHBondContact CG-OD1 3.3Å; F202-N459 HydrophobicContact CZ-CB 4.32Å; Y203-N459 HydrophobicContact CE2-CB 4.24Å; Y203-N459 PolarHBondContact OH-O 3.11Å; Y203-N459 VanDerWaalsContact OH-O 3.07Å; W455-N459 PolarHBondContact O-N 3.43Å; W455-N459 PolarHBondContact O-ND2 3.42Å; T456-N459 PolarHBondContact O-N 3.12Å; N459-L463 WeakPolarHBondContact O-CB 3.41Å; N459-L463 PolarHBondContact O-N 2.96Å
460	I	93.2	Very high	90.2	Very high	82 Å²	82	57 Å²	57	42%	0.421	30%	0.297	S	S	.	.	H	α-helix	trans	-66.2	-41.5	169.5	-73	176.9	0	0	0	111	T456 P457 Y458 L463 V464	T456-I460 HydrophobicContact CG2-CD1 3.48Å; T456-I460 VanDerWaalsContact CG2-CD1 3.48Å; T456-I460 HydrophobicContact CG2-CG1 3.95Å; T456-I460 WeakPolarHBondContact O-CB 3.32Å; T456-I460 WeakPolarHBondContact O-CG1 3.49Å; T456-I460 PolarHBondContact O-N 2.03Å; P457-I460 PolarHBondContact O-N 2.89Å; Y458-I460 VanDerWaalsContact C-N 3.32Å; Y458-I460 PolarHBondContact O-N 2.99Å; I460-L463 PolarHBondContact O-N 2.92Å; I460-V464 HydrophobicContact CG2-CG2 4.28Å; I460-V464 WeakPolarHBondContact O-CB 3.3Å; I460-V464 VanDerWaalsContact O-CG2 3.32Å; I460-V464 WeakPolarHBondContact O-CG2 3.39Å; I460-V464 PolarHBondContact O-N 3.34Å
461	M	91.9	Very high	90.1	Very high	26 Å²	26	59.3 Å²	59.3	13%	0.128	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-39.9	176.1	-71.4	-177.2	-62.7	0	0	112.2	P457 Y458 V464 S465 V472 L476 W477	P457-M461 WeakPolarHBondContact O-CG 3.12Å; P457-M461 PolarHBondContact O-N 3.38Å; Y458-M461 PolarHBondContact O-N 2.88Å; Y458-M461 VanDerWaalsContact O-N 3.07Å; M461-V464 PolarHBondContact O-N 3.28Å; M461-S465 WeakPolarHBondContact O-CB 3.4Å; M461-S465 PolarHBondContact O-N 2.99Å; M461-S465 PolarHBondContact O-OG 3.48Å; M461-V472 HydrophobicContact CB-CG1 4.13Å; M461-V472 HydrophobicContact CB-CG2 4.49Å; M461-V472 HydrophobicContact CG-CG1 3.97Å; M461-V472 HydrophobicContact SD-CG1 3.76Å; M461-L476 VanDerWaalsContact CE-O 3.31Å; M461-L476 WeakPolarHBondContact CE-O 3.38Å; M461-L476 HydrophobicContact SD-CB 3.69Å; M461-W477 HydrophobicContact CB-CE3 4.46Å; M461-W477 HydrophobicContact CB-CH2 4.3Å; M461-W477 HydrophobicContact CB-CZ3 4.22Å
462	V	90.1	Very high	90	Very high	11 Å²	11	60.2 Å²	60.2	7%	0.067	32%	0.317	C	S	.	.	H	α-helix	trans	-54.4	-54.7	168.5	175.7	0	0	0	0	110.2	T194 A198 Y458 V464 S465 T466 W477	T194-V462 HydrophobicContact CG2-CG1 3.44Å; T194-V462 VanDerWaalsContact CG2-CG1 3.44Å; A198-V462 HydrophobicContact CB-CG1 3.97Å; Y458-V462 HydrophobicContact CD1-CG2 4.13Å; Y458-V462 HydrophobicContact CE1-CG2 3.72Å; Y458-V462 HydrophobicContact CE2-CG2 4.32Å; Y458-V462 WeakPolarHBondContact O-CG2 3.33Å; Y458-V462 PolarHBondContact O-N 2.9Å; V462-V464 PolarHBondContact O-N 3.49Å; V462-S465 PolarHBondContact O-N 3.22Å; V462-S465 PolarHBondContact O-OG 2.92Å; V462-T466 PolarHBondContact O-N 3.37Å; V462-W477 HydrophobicContact CB-CH2 4.46Å; V462-W477 HydrophobicContact CG2-CH2 3.9Å; V462-W477 HydrophobicContact CG2-CZ3 3.75Å
463	L	90	Very high	89.9	Confident	53 Å²	53	61 Å²	61	28%	0.277	33%	0.325	S	S	.	.	H	α-helix	trans	-57.5	-46.8	179	-176.6	63.3	0	0	0	112.7	F195 N459 I460 S465 T466 F467	F195-L463 HydrophobicContact CD2-CD1 3.73Å; F195-L463 HydrophobicContact CE2-CD1 3.67Å; N459-L463 WeakPolarHBondContact O-CB 3.41Å; N459-L463 PolarHBondContact O-N 2.96Å; I460-L463 PolarHBondContact O-N 2.92Å; L463-S465 VanDerWaalsContact C-N 3.35Å; L463-S465 PolarHBondContact O-N 2.94Å; L463-T466 PolarHBondContact O-N 3Å; L463-T466 PolarHBondContact O-OG1 3.09Å; L463-F467 HydrophobicContact CD1-CE2 3.71Å; L463-F467 HydrophobicContact CD1-CZ 4.41Å; L463-F467 HydrophobicContact CG-CE2 4.09Å; L463-F467 WeakPolarHBondContact O-CD2 2.99Å
464	V	90.9	Very high	89.6	Confident	62 Å²	62	59.6 Å²	59.6	38%	0.376	32%	0.322	S	S	.	.	H	α-helix	trans	-60.7	-42.8	177.4	168.7	0	0	0	0	111.3	I460 M461 V462 T466 F467 C468 V472	I460-V464 HydrophobicContact CG2-CG2 4.28Å; I460-V464 WeakPolarHBondContact O-CB 3.3Å; I460-V464 VanDerWaalsContact O-CG2 3.32Å; I460-V464 WeakPolarHBondContact O-CG2 3.39Å; I460-V464 PolarHBondContact O-N 3.34Å; M461-V464 PolarHBondContact O-N 3.28Å; V462-V464 PolarHBondContact O-N 3.49Å; V464-T466 PolarHBondContact O-N 2.94Å; V464-F467 PolarHBondContact O-N 3.42Å; V464-C468 WeakPolarHBondContact O-CB 3.27Å; V464-C468 PolarHBondContact O-N 3.22Å; V464-V472 HydrophobicContact CB-CG2 4.47Å; V464-V472 HydrophobicContact CG1-CG2 4.02Å
465	S	86.9	Confident	89.4	Confident	36 Å²	36	63.3 Å²	63.3	25%	0.252	35%	0.345	S	S	.	.	H	α-helix	trans	-64.5	-22.6	178.5	69.6	0	0	0	0	113.8	M461 V462 L463 F467	M461-S465 WeakPolarHBondContact O-CB 3.4Å; M461-S465 PolarHBondContact O-N 2.99Å; M461-S465 PolarHBondContact O-OG 3.48Å; V462-S465 PolarHBondContact O-N 3.22Å; V462-S465 PolarHBondContact O-OG 2.92Å; L463-S465 VanDerWaalsContact C-N 3.35Å; L463-S465 PolarHBondContact O-N 2.94Å; S465-F467 PolarHBondContact O-N 3.4Å
466	T	87.3	Confident	89.2	Confident	21 Å²	21	66.2 Å²	66.2	13%	0.129	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-10.7	173.3	65.2	0	0	0	0	114.3	P191 T194 F195 V462 L463 V464	P191-T466 HydrophobicContact CB-CG2 4.4Å; P191-T466 WeakPolarHBondContact O-CG2 3.43Å; T194-T466 HydrophobicContact CG2-CG2 3.63Å; F195-T466 HydrophobicContact CB-CG2 4.13Å; V462-T466 PolarHBondContact O-N 3.37Å; L463-T466 PolarHBondContact O-N 3Å; L463-T466 PolarHBondContact O-OG1 3.09Å; V464-T466 PolarHBondContact O-N 2.94Å
467	F	87.9	Confident	89.1	Confident	155 Å²	155	67.5 Å²	67.5	68%	0.68	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	0.2	177.1	-60.1	-65.6	0	0	0	113.5	F195 L463 V464 S465	F195-F467 HydrophobicContact CD2-CZ 4.45Å; F195-F467 HydrophobicContact CE2-CZ 4.03Å; L463-F467 HydrophobicContact CD1-CE2 3.71Å; L463-F467 HydrophobicContact CD1-CZ 4.41Å; L463-F467 HydrophobicContact CG-CE2 4.09Å; L463-F467 WeakPolarHBondContact O-CD2 2.99Å; V464-F467 PolarHBondContact O-N 3.42Å; S465-F467 PolarHBondContact O-N 3.4Å
468	C	86.1	Confident	88.9	Confident	51 Å²	51	66.9 Å²	66.9	35%	0.345	36%	0.355	S	S	.	.	S	Bend	trans	-160.9	109.3	-163	-176	0	0	0	0	112.3	V464 K470 C471	V464-C468 WeakPolarHBondContact O-CB 3.27Å; V464-C468 PolarHBondContact O-N 3.22Å; C468-K470 PolarHBondContact O-N 3.49Å; C468-C471 HydrophobicContact CB-CB 4.45Å; C468-C471 WeakPolarHBondContact CB-SG 3.36Å; C468-C471 WeakPolarHBondContact SG-CB 3.21Å; C468-C471 CovalentContact SG-SG 2.03Å; C468-C471 PolarHBondContact SG-SG 3.03Å
469	D	79.1	Confident	88.8	Confident	152 Å²	152	70.8 Å²	70.8	81%	0.813	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	124.3	179.8	-69	-52	0	0	0	112.2	C471	D469-C471 PolarHBondContact O-N 3.38Å
470	K	77.8	Confident	89	Confident	209 Å²	209	70.4 Å²	70.4	91%	0.909	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	9.4	169.1	-58.3	-175.7	178.8	-178.2	0	117.3	C468 V472	C468-K470 PolarHBondContact O-N 3.49Å; K470-V472 VanDerWaalsContact C-N 3.32Å; K470-V472 PolarHBondContact O-N 3.18Å
471	C	87.9	Confident	89	Confident	65 Å²	65	68 Å²	68	44%	0.439	36%	0.361	S	S	.	.			trans	-78.6	-10.2	-176.6	64.2	0	0	0	0	115	C468 D469 P473	C468-C471 HydrophobicContact CB-CB 4.45Å; C468-C471 WeakPolarHBondContact CB-SG 3.36Å; C468-C471 WeakPolarHBondContact SG-CB 3.21Å; C468-C471 CovalentContact SG-SG 2.03Å; C468-C471 PolarHBondContact SG-SG 3.03Å; D469-C471 PolarHBondContact O-N 3.38Å; C471-P473 WeakPolarHBondContact O-CD 3.32Å
472	V	88.3	Confident	89.2	Confident	20 Å²	20	68.1 Å²	68.1	12%	0.121	36%	0.361	C	S	.	.	S	Bend	trans	-91.9	112.5	170.1	-177.7	0	0	0	0	109.2	M461 V464 K470 L476 W477	M461-V472 HydrophobicContact CB-CG1 4.13Å; M461-V472 HydrophobicContact CB-CG2 4.49Å; M461-V472 HydrophobicContact CG-CG1 3.97Å; M461-V472 HydrophobicContact SD-CG1 3.76Å; V464-V472 HydrophobicContact CB-CG2 4.47Å; V464-V472 HydrophobicContact CG1-CG2 4.02Å; K470-V472 VanDerWaalsContact C-N 3.32Å; K470-V472 PolarHBondContact O-N 3.18Å; V472-L476 HydrophobicContact CG1-CB 4.31Å; V472-W477 HydrophobicContact CB-CZ2 4.48Å; V472-W477 HydrophobicContact CG1-CD2 4.27Å; V472-W477 HydrophobicContact CG1-CG 4.25Å; V472-W477 HydrophobicContact CG1-CZ2 4.49Å; V472-W477 PolarHBondContact O-NE1 3.41Å
473	P	91	Very high	89.5	Confident	70 Å²	70	70.4 Å²	70.4	46%	0.455	37%	0.372	S	S	.	.			trans	-67	146.2	-179.4	27.1	-35.5	0	0	0	112.3	C471 T475 L476 W477	C471-P473 WeakPolarHBondContact O-CD 3.32Å; P473-T475 PolarHBondContact O-N 3.36Å; P473-T475 VanDerWaalsContact O-N 3.15Å; P473-L476 HydrophobicContact CG-CB 4.29Å; P473-L476 HydrophobicContact CG-CD1 3.85Å; P473-L476 HydrophobicContact CG-CG 3.96Å; P473-L476 PolarHBondContact O-N 3.48Å; P473-W477 PolarHBondContact O-N 3.33Å
474	V	86.9	Confident	89.8	Confident	76 Å²	76	68.2 Å²	68.2	46%	0.461	36%	0.361	S	S	.	.	H	α-helix	trans	-55.1	-35.7	-175.4	-177.8	0	0	0	0	112.7	L476 W477 H478	V474-L476 VanDerWaalsContact C-N 3.32Å; V474-L476 PolarHBondContact O-N 3.15Å; V474-W477 WeakPolarHBondContact O-CB 3Å; V474-W477 PolarHBondContact O-N 3.01Å; V474-W477 VanDerWaalsContact O-N 3.16Å; V474-H478 WeakPolarHBondContact CG1-NE2 3.45Å; V474-H478 PolarHBondContact O-CD2 3.42Å; V474-H478 PolarHBondContact O-N 3.16Å
475	T	89.6	Confident	90	Very high	87 Å²	87	65.4 Å²	65.4	53%	0.534	34%	0.344	S	S	.	.	H	α-helix	trans	-60.4	-37.8	175.5	-35.9	0	0	0	0	112.9	P473 H478 L479	P473-T475 PolarHBondContact O-N 3.36Å; P473-T475 VanDerWaalsContact O-N 3.15Å; T475-H478 PolarHBondContact O-N 2.85Å; T475-L479 VanDerWaalsContact O-CG 3.3Å; T475-L479 WeakPolarHBondContact O-CG 3.5Å; T475-L479 PolarHBondContact O-N 2.92Å
476	L	91.8	Very high	90.4	Very high	86 Å²	86	66 Å²	66	45%	0.45	35%	0.346	S	S	.	.	H	α-helix	trans	-72.2	-36.4	175.9	-72.7	-177.5	0	0	0	111.6	M461 V472 P473 V474 H478 L479 G480	M461-L476 VanDerWaalsContact CE-O 3.31Å; M461-L476 WeakPolarHBondContact CE-O 3.38Å; M461-L476 HydrophobicContact SD-CB 3.69Å; V472-L476 HydrophobicContact CG1-CB 4.31Å; P473-L476 HydrophobicContact CG-CB 4.29Å; P473-L476 HydrophobicContact CG-CD1 3.85Å; P473-L476 HydrophobicContact CG-CG 3.96Å; P473-L476 PolarHBondContact O-N 3.48Å; V474-L476 VanDerWaalsContact C-N 3.32Å; V474-L476 PolarHBondContact O-N 3.15Å; L476-H478 PolarHBondContact O-N 2.93Å; L476-L479 HydrophobicContact CD2-CD1 4.38Å; L476-L479 PolarHBondContact O-N 3.07Å; L476-G480 PolarHBondContact O-N 3.5Å
477	W	90.9	Very high	90.8	Very high	65 Å²	65	65 Å²	65	25%	0.246	34%	0.34	C	S	.	.	H	α-helix	trans	-57.2	-48.2	171.1	-77	112.8	0	0	0	112	Y458 M461 V462 V472 P473 V474 L479 G480 Y481	Y458-W477 HydrophobicContact CD2-CE3 4.16Å; Y458-W477 HydrophobicContact CD2-CZ3 4.14Å; Y458-W477 AromaticContact CE2-CE3 3.76Å; Y458-W477 HydrophobicContact CE2-CE3 3.76Å; Y458-W477 AromaticContact CE2-CZ3 3.64Å; Y458-W477 HydrophobicContact CE2-CZ3 3.64Å; M461-W477 HydrophobicContact CB-CE3 4.46Å; M461-W477 HydrophobicContact CB-CH2 4.3Å; M461-W477 HydrophobicContact CB-CZ3 4.22Å; V462-W477 HydrophobicContact CB-CH2 4.46Å; V462-W477 HydrophobicContact CG2-CH2 3.9Å; V462-W477 HydrophobicContact CG2-CZ3 3.75Å; V472-W477 HydrophobicContact CB-CZ2 4.48Å; V472-W477 HydrophobicContact CG1-CD2 4.27Å; V472-W477 HydrophobicContact CG1-CG 4.25Å; V472-W477 HydrophobicContact CG1-CZ2 4.49Å; V472-W477 PolarHBondContact O-NE1 3.41Å; P473-W477 PolarHBondContact O-N 3.33Å; V474-W477 WeakPolarHBondContact O-CB 3Å; V474-W477 PolarHBondContact O-N 3.01Å; V474-W477 VanDerWaalsContact O-N 3.16Å; W477-L479 PolarHBondContact O-N 3.37Å; W477-G480 PolarHBondContact O-N 3.26Å; W477-Y481 PolarHBondContact O-N 3.42Å
478	H	92	Very high	91	Very high	40 Å²	40	57.6 Å²	57.6	19%	0.185	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-43.4	176.7	-66.7	-38.5	0	0	0	112.9	Y87 V474 T475 L476 Y481 W482	Y87-H478 AromaticContact CZ-ND1 3.69Å; Y87-H478 WeakPolarHBondContact OH-CA 3.31Å; Y87-H478 PolarHBondContact OH-ND1 3.4Å; V474-H478 WeakPolarHBondContact CG1-NE2 3.45Å; V474-H478 PolarHBondContact O-CD2 3.42Å; V474-H478 PolarHBondContact O-N 3.16Å; T475-H478 PolarHBondContact O-N 2.85Å; L476-H478 PolarHBondContact O-N 2.93Å; H478-Y481 PolarHBondContact O-N 3.32Å; H478-W482 PolarHBondContact O-N 3.06Å
479	L	93.2	Very high	91.5	Very high	108 Å²	108	55.9 Å²	55.9	57%	0.565	30%	0.295	S	S	*	.	H	α-helix	trans	-66.2	-38.8	177.1	-71.5	169.3	0	0	0	112.4	T475 L476 W477 W482 L483	T475-L479 VanDerWaalsContact O-CG 3.3Å; T475-L479 WeakPolarHBondContact O-CG 3.5Å; T475-L479 PolarHBondContact O-N 2.92Å; L476-L479 HydrophobicContact CD2-CD1 4.38Å; L476-L479 PolarHBondContact O-N 3.07Å; W477-L479 PolarHBondContact O-N 3.37Å; L479-W482 PolarHBondContact O-N 3.25Å; L479-L483 WeakPolarHBondContact O-CB 3.49Å; L479-L483 PolarHBondContact O-N 2.86Å
480	G	95.3	Very high	92.1	Very high	4 Å²	4	50.4 Å²	50.4	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-64.5	-42.7	175.3	0	0	0	0	0	112.8	L476 W477 L483 C484	L476-G480 PolarHBondContact O-N 3.5Å; W477-G480 PolarHBondContact O-N 3.26Å; G480-L483 PolarHBondContact O-N 2.86Å; G480-C484 PolarHBondContact O-N 3.48Å
481	Y	94.4	Very high	92.7	Very high	30 Å²	30	40.5 Å²	40.5	12%	0.118	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-47.7	174.8	-124.8	-84.2	0	0	0	111.9	Y87 Y111 Y458 W477 H478 L483 C484 Y485	Y87-Y481 HydrophobicContact CD2-CD1 4.3Å; Y87-Y481 HydrophobicContact CE1-CD1 4.25Å; Y87-Y481 HydrophobicContact CE1-CG 4.08Å; Y87-Y481 AromaticContact CE2-CD1 3.97Å; Y87-Y481 HydrophobicContact CE2-CD1 3.97Å; Y87-Y481 HydrophobicContact CE2-CD2 4.48Å; Y87-Y481 HydrophobicContact CE2-CE1 4.38Å; Y87-Y481 HydrophobicContact CE2-CG 4.03Å; Y87-Y481 AromaticContact CZ-CD1 3.94Å; Y87-Y481 AromaticContact CZ-CG 3.64Å; Y87-Y481 WeakPolarHBondContact OH-CB 3.17Å; Y111-Y481 WeakPolarHBondContact CE2-OH 3.23Å; Y111-Y481 VanDerWaalsContact CZ-OH 3.23Å; Y111-Y481 PolarHBondContact OH-OH 2.86Å; Y458-Y481 HydrophobicContact CD2-CD2 4.18Å; Y458-Y481 AromaticContact CE2-CD2 3.54Å; Y458-Y481 HydrophobicContact CE2-CD2 3.54Å; Y458-Y481 AromaticContact CE2-CE2 3.72Å; Y458-Y481 HydrophobicContact CE2-CE2 3.72Å; Y458-Y481 AromaticContact CZ-CE2 3.87Å; W477-Y481 PolarHBondContact O-N 3.42Å; H478-Y481 PolarHBondContact O-N 3.32Å; Y481-L483 VanDerWaalsContact C-N 3.29Å; Y481-L483 PolarHBondContact O-N 3.19Å; Y481-C484 WeakPolarHBondContact O-CB 3.4Å; Y481-C484 PolarHBondContact O-N 3.28Å; Y481-Y485 HydrophobicContact CD1-CE1 4.13Å; Y481-Y485 HydrophobicContact CD1-CE2 4.07Å; Y481-Y485 AromaticContact CD1-CZ 3.67Å; Y481-Y485 HydrophobicContact CE1-CE1 4.25Å; Y481-Y485 AromaticContact CE1-CZ 3.9Å; Y481-Y485 WeakPolarHBondContact CE1-OH 3.48Å; Y481-Y485 PolarHBondContact O-N 3.4Å; Y481-Y485 VanDerWaalsContact O-N 3.12Å
482	W	96.2	Very high	92.9	Very high	30 Å²	30	37.6 Å²	37.6	11%	0.114	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-36.8	174.9	-91.2	106.8	0	0	0	113	T37 M84 Y87 T88 H478 L479 Y485 V486	T37-W482 HydrophobicContact CG2-CD2 4.18Å; T37-W482 HydrophobicContact CG2-CE3 4.39Å; T37-W482 HydrophobicContact CG2-CH2 3.63Å; T37-W482 HydrophobicContact CG2-CZ2 3.36Å; T37-W482 HydrophobicContact CG2-CZ3 4.13Å; M84-W482 HydrophobicContact CB-CH2 3.72Å; M84-W482 HydrophobicContact CB-CZ3 4.04Å; M84-W482 HydrophobicContact CG-CH2 3.99Å; M84-W482 HydrophobicContact CG-CZ3 3.77Å; M84-W482 VanDerWaalsContact O-CH2 3.27Å; M84-W482 WeakPolarHBondContact O-CH2 3.49Å; M84-W482 WeakPolarHBondContact O-CZ2 3.21Å; M84-W482 HydrophobicContact SD-CZ3 4.3Å; Y87-W482 AromaticContact CD1-CD1 3.91Å; Y87-W482 AromaticContact CD1-CE2 3.96Å; Y87-W482 HydrophobicContact CD1-CZ2 4.39Å; Y87-W482 AromaticContact CD1-NE1 3.47Å; Y87-W482 AromaticContact CE1-CD1 3.84Å; Y87-W482 AromaticContact CE1-NE1 3.83Å; T88-W482 WeakPolarHBondContact OG1-CZ2 3.12Å; H478-W482 PolarHBondContact O-N 3.06Å; L479-W482 PolarHBondContact O-N 3.25Å; W482-Y485 HydrophobicContact CD2-CD2 4.26Å; W482-Y485 HydrophobicContact CE3-CD2 4.03Å; W482-Y485 HydrophobicContact CH2-CD2 4.45Å; W482-Y485 HydrophobicContact CZ3-CD2 4.16Å; W482-Y485 PolarHBondContact O-N 2.87Å; W482-V486 WeakPolarHBondContact O-CG2 3.31Å; W482-V486 PolarHBondContact O-N 3.2Å
483	L	95.9	Very high	92.9	Very high	59 Å²	59	40.7 Å²	40.7	31%	0.309	22%	0.219	S	C	.	.	H	α-helix	trans	-66.5	-39.2	177.6	-166.9	70.2	0	0	0	112	T454 P457 L479 G480 Y481 Y485 V486	T454-L483 VanDerWaalsContact CB-O 3.31Å; T454-L483 WeakPolarHBondContact CB-O 3.25Å; T454-L483 HydrophobicContact CG2-CD1 4.44Å; T454-L483 HydrophobicContact CG2-CG 4.43Å; T454-L483 WeakPolarHBondContact CG2-O 3.36Å; T454-L483 WeakPolarHBondContact O-CD2 3.1Å; T454-L483 WeakPolarHBondContact O-CG 3.36Å; P457-L483 HydrophobicContact CB-CD2 4.06Å; P457-L483 HydrophobicContact CG-CD2 3.63Å; L479-L483 WeakPolarHBondContact O-CB 3.49Å; L479-L483 PolarHBondContact O-N 2.86Å; G480-L483 PolarHBondContact O-N 2.86Å; Y481-L483 VanDerWaalsContact C-N 3.29Å; Y481-L483 PolarHBondContact O-N 3.19Å; L483-Y485 VanDerWaalsContact C-N 3.34Å; L483-Y485 PolarHBondContact O-N 3.38Å; L483-V486 PolarHBondContact O-N 3.39Å
484	C	95.7	Very high	92.7	Very high	7 Å²	7	38 Å²	38	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-58.2	-43.7	169.6	-76.8	0	0	0	0	111.9	W455 Y458 G480 Y481 V486 N487	W455-C484 HydrophobicContact CD2-CB 4.28Å; W455-C484 HydrophobicContact CE3-CB 4.34Å; W455-C484 HydrophobicContact CH2-CB 4.09Å; W455-C484 HydrophobicContact CZ2-CB 4.09Å; W455-C484 HydrophobicContact CZ3-CB 4.25Å; Y458-C484 VanDerWaalsContact CB-SG 3.56Å; G480-C484 PolarHBondContact O-N 3.48Å; Y481-C484 WeakPolarHBondContact O-CB 3.4Å; Y481-C484 PolarHBondContact O-N 3.28Å; C484-V486 PolarHBondContact O-N 2.93Å; C484-N487 WeakPolarHBondContact O-CB 3.47Å; C484-N487 PolarHBondContact O-N 3.23Å
485	Y	96.6	Very high	92.6	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-35.8	176.3	-65	-24.1	0	0	0	113.4	I79 M84 Y87 D110 Y481 W482 L483 N487 S488	I79-Y485 HydrophobicContact CG2-CD1 3.65Å; I79-Y485 HydrophobicContact CG2-CE1 4.23Å; I79-Y485 HydrophobicContact CG2-CG 4.21Å; M84-Y485 WeakPolarHBondContact CE-O 3.49Å; M84-Y485 HydrophobicContact CG-CD2 4.01Å; M84-Y485 HydrophobicContact CG-CG 4.14Å; Y87-Y485 AromaticContact CD1-CE2 3.9Å; Y87-Y485 HydrophobicContact CD1-CE2 3.9Å; Y87-Y485 AromaticContact CG-CE2 3.87Å; Y87-Y485 HydrophobicContact CG-CE2 3.87Å; D110-Y485 WeakPolarHBondContact OD1-CE1 3.31Å; D110-Y485 WeakPolarHBondContact OD2-CE1 3.37Å; D110-Y485 PolarHBondContact OD2-OH 2.98Å; Y481-Y485 HydrophobicContact CD1-CE1 4.13Å; Y481-Y485 HydrophobicContact CD1-CE2 4.07Å; Y481-Y485 AromaticContact CD1-CZ 3.67Å; Y481-Y485 HydrophobicContact CE1-CE1 4.25Å; Y481-Y485 AromaticContact CE1-CZ 3.9Å; Y481-Y485 WeakPolarHBondContact CE1-OH 3.48Å; Y481-Y485 PolarHBondContact O-N 3.4Å; Y481-Y485 VanDerWaalsContact O-N 3.12Å; W482-Y485 HydrophobicContact CD2-CD2 4.26Å; W482-Y485 HydrophobicContact CE3-CD2 4.03Å; W482-Y485 HydrophobicContact CH2-CD2 4.45Å; W482-Y485 HydrophobicContact CZ3-CD2 4.16Å; W482-Y485 PolarHBondContact O-N 2.87Å; L483-Y485 VanDerWaalsContact C-N 3.34Å; L483-Y485 PolarHBondContact O-N 3.38Å; Y485-N487 PolarHBondContact O-N 2.71Å; Y485-N487 VanDerWaalsContact O-N 3.14Å; Y485-S488 WeakPolarHBondContact O-CB 3.45Å; Y485-S488 PolarHBondContact O-N 2.87Å
486	V	95.6	Very high	92.4	Very high	47 Å²	47	31.4 Å²	31.4	29%	0.285	16%	0.164	S	C	.	.	H	α-helix	trans	-60.2	-24.1	178.1	165.5	0	0	0	0	112.7	V40 T454 W482 L483 C484 S488 T489 V490	V40-V486 HydrophobicContact CG1-CG2 4.37Å; T454-V486 HydrophobicContact CG2-CG1 4.46Å; W482-V486 WeakPolarHBondContact O-CG2 3.31Å; W482-V486 PolarHBondContact O-N 3.2Å; L483-V486 PolarHBondContact O-N 3.39Å; C484-V486 PolarHBondContact O-N 2.93Å; V486-S488 VanDerWaalsContact C-N 3.27Å; V486-S488 PolarHBondContact O-N 2.71Å; V486-T489 VanDerWaalsContact O-CB 3.31Å; V486-T489 WeakPolarHBondContact O-CB 3.01Å; V486-T489 PolarHBondContact O-N 2.81Å; V486-T489 VanDerWaalsContact O-N 3.09Å; V486-V490 HydrophobicContact CG1-CG2 4.07Å; V486-V490 WeakPolarHBondContact O-CG2 3.15Å; V486-V490 PolarHBondContact O-N 2.9Å
487	N	93.6	Very high	91.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-51.3	-46.4	169.9	-179.2	65.9	0	0	0	112.4	T454 W455 C484 Y485 T489 V490 N491	T454-N487 HydrophobicContact CG2-CB 4.35Å; T454-N487 WeakPolarHBondContact OG1-CB 3.46Å; T454-N487 PolarHBondContact OG1-OD1 3.42Å; W455-N487 VanDerWaalsContact NE1-CG 3.34Å; W455-N487 PolarHBondContact NE1-ND2 2.86Å; C484-N487 WeakPolarHBondContact O-CB 3.47Å; C484-N487 PolarHBondContact O-N 3.23Å; Y485-N487 PolarHBondContact O-N 2.71Å; Y485-N487 VanDerWaalsContact O-N 3.14Å; N487-T489 VanDerWaalsContact C-N 3.27Å; N487-T489 PolarHBondContact O-N 3.49Å; N487-V490 PolarHBondContact O-N 3.35Å; N487-V490 VanDerWaalsContact O-N 3.1Å; N487-N491 PolarHBondContact O-N 3.17Å; N487-N491 VanDerWaalsContact O-N 3.07Å; N487-N491 PolarHBondContact O-ND2 2.93Å
488	S	93.9	Very high	91.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.3	-26	-179.4	-64.1	0	0	0	0	112.8	N48 D76 Y485 V486 P492	N48-S488 PolarHBondContact ND2-O 2.75Å; N48-S488 VanDerWaalsContact ND2-O 3.11Å; D76-S488 VanDerWaalsContact OD1-CB 3.3Å; D76-S488 WeakPolarHBondContact OD1-CB 3.49Å; D76-S488 PolarHBondContact OD1-OG 2.94Å; Y485-S488 WeakPolarHBondContact O-CB 3.45Å; Y485-S488 PolarHBondContact O-N 2.87Å; V486-S488 VanDerWaalsContact C-N 3.27Å; V486-S488 PolarHBondContact O-N 2.71Å; S488-P492 WeakPolarHBondContact O-CD 3.41Å
489	T	94.9	Very high	90.6	Very high	14 Å²	14	32.3 Å²	32.3	9%	0.086	18%	0.177	C	C	.	.	H	α-helix	trans	-72.3	-38.9	169.7	-39.3	0	0	0	0	111.9	V40 I43 T44 V486 N487	V40-T489 HydrophobicContact CG1-CG2 4.43Å; I43-T489 HydrophobicContact CB-CG2 4.22Å; I43-T489 HydrophobicContact CG2-CG2 3.68Å; T44-T489 WeakPolarHBondContact OG1-CB 3.4Å; T44-T489 WeakPolarHBondContact OG1-CG2 3.28Å; T44-T489 PolarHBondContact OG1-OG1 3.33Å; V486-T489 VanDerWaalsContact O-CB 3.31Å; V486-T489 WeakPolarHBondContact O-CB 3.01Å; V486-T489 PolarHBondContact O-N 2.81Å; V486-T489 VanDerWaalsContact O-N 3.09Å; N487-T489 VanDerWaalsContact C-N 3.27Å; N487-T489 PolarHBondContact O-N 3.49Å
490	V	93.1	Very high	90.1	Very high	38 Å²	38	35.7 Å²	35.7	23%	0.23	18%	0.182	C	C	.	.	H	α-helix	trans	-76.7	-29.9	-175	172.3	0	0	0	0	112.6	A450 V486 N487 I493 C494	A450-V490 HydrophobicContact CB-CG1 3.8Å; V486-V490 HydrophobicContact CG1-CG2 4.07Å; V486-V490 WeakPolarHBondContact O-CG2 3.15Å; V486-V490 PolarHBondContact O-N 2.9Å; N487-V490 PolarHBondContact O-N 3.35Å; N487-V490 VanDerWaalsContact O-N 3.1Å; V490-I493 WeakPolarHBondContact O-CA 3.27Å; V490-I493 WeakPolarHBondContact O-CB 3.45Å; V490-I493 PolarHBondContact O-N 3.3Å; V490-C494 PolarHBondContact O-N 3.44Å
491	N	90.1	Very high	89.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-54.1	-50.4	-177.6	-76.8	-33.3	0	0	0	114.5	L72 D76 N487 I493 C494 Y495	L72-N491 HydrophobicContact CD2-CB 4.22Å; L72-N491 WeakPolarHBondContact CD2-ND2 3.38Å; D76-N491 WeakPolarHBondContact OD2-CB 3.38Å; D76-N491 PolarHBondContact OD2-ND2 2.99Å; N487-N491 PolarHBondContact O-N 3.17Å; N487-N491 VanDerWaalsContact O-N 3.07Å; N487-N491 PolarHBondContact O-ND2 2.93Å; N491-I493 VanDerWaalsContact C-N 3.31Å; N491-I493 PolarHBondContact O-N 3.27Å; N491-C494 WeakPolarHBondContact O-CB 3.23Å; N491-C494 PolarHBondContact O-N 3.29Å; N491-Y495 WeakPolarHBondContact O-CD1 3.04Å; N491-Y495 WeakPolarHBondContact O-CD2 3.22Å; N491-Y495 VanDerWaalsContact O-CG 3.28Å; N491-Y495 PolarHBondContact O-N 3.41Å
492	P	91.3	Very high	89.1	Confident	4 Å²	4	36.4 Å²	36.4	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-36.8	172	-28.1	36	0	0	0	114.6	N48 V51 S488 Y495 A496	N48-P492 HydrophobicContact CB-CG 4.46Å; N48-P492 VanDerWaalsContact OD1-CG 3.28Å; N48-P492 WeakPolarHBondContact OD1-CG 3.41Å; V51-P492 HydrophobicContact CG2-CB 4.16Å; V51-P492 HydrophobicContact CG2-CG 4.32Å; S488-P492 WeakPolarHBondContact O-CD 3.41Å; P492-Y495 PolarHBondContact O-N 3.27Å; P492-A496 WeakPolarHBondContact O-CB 3.47Å; P492-A496 PolarHBondContact O-N 2.92Å
493	I	89.4	Confident	88.8	Confident	85 Å²	85	40.7 Å²	40.7	44%	0.436	21%	0.205	S	C	.	.	H	α-helix	trans	-67.2	-46.3	-180	-57	175.2	0	0	0	109.6	V490 N491 Y495 A496 L497	V490-I493 WeakPolarHBondContact O-CA 3.27Å; V490-I493 WeakPolarHBondContact O-CB 3.45Å; V490-I493 PolarHBondContact O-N 3.3Å; N491-I493 VanDerWaalsContact C-N 3.31Å; N491-I493 PolarHBondContact O-N 3.27Å; I493-Y495 PolarHBondContact O-N 3.12Å; I493-A496 PolarHBondContact O-N 3.06Å; I493-L497 HydrophobicContact CG2-CD1 4.09Å; I493-L497 HydrophobicContact CG2-CG 4.44Å; I493-L497 WeakPolarHBondContact O-CG 3.26Å; I493-L497 PolarHBondContact O-N 2.83Å
494	C	86.8	Confident	88.4	Confident	13 Å²	13	45.8 Å²	45.8	9%	0.088	22%	0.224	C	C	.	.	H	α-helix	trans	-50.9	-55.5	169.8	-77.9	0	0	0	0	110.2	I447 V490 N491 A496 L497 C498	I447-C494 HydrophobicContact CG1-CB 3.75Å; V490-C494 PolarHBondContact O-N 3.44Å; N491-C494 WeakPolarHBondContact O-CB 3.23Å; N491-C494 PolarHBondContact O-N 3.29Å; C494-A496 VanDerWaalsContact C-N 3.29Å; C494-A496 PolarHBondContact O-N 2.91Å; C494-L497 PolarHBondContact O-N 3.07Å; C494-C498 WeakPolarHBondContact O-CB 3.43Å; C494-C498 PolarHBondContact O-N 2.73Å; C494-C498 PolarHBondContact O-SG 3.07Å
495	Y	83.9	Confident	88	Confident	5 Å²	5	45.5 Å²	45.5	2%	0.02	22%	0.222	C	C	.	.	H	α-helix	trans	-57.7	-38.8	-179.4	-55.5	-22.6	0	0	0	113.6	V51 L69 L72 I447 N491 P492 I493 N499	V51-Y495 HydrophobicContact CG1-CD2 4.38Å; V51-Y495 HydrophobicContact CG1-CE2 4.47Å; V51-Y495 HydrophobicContact CG2-CD2 3.82Å; V51-Y495 HydrophobicContact CG2-CE2 4.31Å; L69-Y495 HydrophobicContact CB-CE2 4.12Å; L69-Y495 HydrophobicContact CD1-CD1 4.42Å; L69-Y495 HydrophobicContact CD1-CE1 4.37Å; L69-Y495 HydrophobicContact CD2-CE1 3.78Å; L69-Y495 HydrophobicContact CG-CE1 4.48Å; L72-Y495 WeakPolarHBondContact CD2-OH 3.42Å; I447-Y495 HydrophobicContact CD1-CD1 4.03Å; I447-Y495 HydrophobicContact CD1-CE1 3.71Å; I447-Y495 HydrophobicContact CG1-CE1 4.43Å; N491-Y495 WeakPolarHBondContact O-CD1 3.04Å; N491-Y495 WeakPolarHBondContact O-CD2 3.22Å; N491-Y495 VanDerWaalsContact O-CG 3.28Å; N491-Y495 PolarHBondContact O-N 3.41Å; P492-Y495 PolarHBondContact O-N 3.27Å; I493-Y495 PolarHBondContact O-N 3.12Å; Y495-N499 PolarHBondContact O-N 3.26Å
496	A	84.9	Confident	87.7	Confident	21 Å²	21	46.2 Å²	46.2	17%	0.174	23%	0.226	C	C	.	.	H	α-helix	trans	-68.2	-42.7	179.2	0	0	0	0	0	113	P492 I493 C494 R503 F506	P492-A496 WeakPolarHBondContact O-CB 3.47Å; P492-A496 PolarHBondContact O-N 2.92Å; I493-A496 PolarHBondContact O-N 3.06Å; C494-A496 VanDerWaalsContact C-N 3.29Å; C494-A496 PolarHBondContact O-N 2.91Å; A496-R503 VanDerWaalsContact O-CB 3.22Å; A496-R503 WeakPolarHBondContact O-CB 3.44Å; A496-R503 WeakPolarHBondContact O-CD 3.24Å; A496-R503 WeakPolarHBondContact O-CG 3.4Å; A496-F506 HydrophobicContact CB-CD2 3.71Å; A496-F506 HydrophobicContact CB-CE2 3.76Å
497	L	81.3	Confident	87.4	Confident	124 Å²	124	50.8 Å²	50.8	65%	0.649	24%	0.242	S	C	*	.	H	α-helix	trans	-67.9	-43.7	175.5	-66.9	174.5	0	0	0	110.8	I493 C494	I493-L497 HydrophobicContact CG2-CD1 4.09Å; I493-L497 HydrophobicContact CG2-CG 4.44Å; I493-L497 WeakPolarHBondContact O-CG 3.26Å; I493-L497 PolarHBondContact O-N 2.83Å; C494-L497 PolarHBondContact O-N 3.07Å
498	C	76.1	Confident	87.1	Confident	34 Å²	34	52.5 Å²	52.5	23%	0.23	25%	0.25	C	S	.	.	H	α-helix	trans	-71.3	-54.1	-172	-76	0	0	0	0	114.5	T443 C494	T443-C498 VanDerWaalsContact CA-SG 3.52Å; T443-C498 VanDerWaalsContact CB-CB 3.41Å; T443-C498 WeakPolarHBondContact CB-SG 3.25Å; T443-C498 VanDerWaalsContact CG2-CA 3.46Å; T443-C498 HydrophobicContact CG2-CB 3.23Å; T443-C498 WeakPolarHBondContact CG2-SG 3.38Å; T443-C498 PolarHBondContact O-SG 2.98Å; C494-C498 WeakPolarHBondContact O-CB 3.43Å; C494-C498 PolarHBondContact O-N 2.73Å; C494-C498 PolarHBondContact O-SG 3.07Å
499	N	81.1	Confident	86.8	Confident	52 Å²	52	54.1 Å²	54.1	28%	0.278	26%	0.258	S	S	.	.			trans	-104.3	108.2	-168.4	-175.5	-23.9	0	0	0	110.9	Y495 T501 F502 R503	Y495-N499 PolarHBondContact O-N 3.26Å; N499-T501 PolarHBondContact O-N 3.48Å; N499-T501 WeakPolarHBondContact OD1-CB 3.44Å; N499-T501 PolarHBondContact OD1-N 3Å; N499-F502 HydrophobicContact CB-CB 4.21Å; N499-F502 HydrophobicContact CB-CD2 3.93Å; N499-F502 WeakPolarHBondContact ND2-CD2 3.29Å; N499-F502 PolarHBondContact O-N 2.77Å; N499-R503 PolarHBondContact O-N 3.44Å
500	R	82.6	Confident	86.4	Confident	179 Å²	179	58.9 Å²	58.9	68%	0.675	28%	0.283	S	S	*	.	H	α-helix	trans	-52.8	-29.5	179.2	-68.9	-176.4	173.4	-161.1	-5.3	113.9	K504	R500-K504 WeakPolarHBondContact O-CB 3.31Å; R500-K504 WeakPolarHBondContact O-CG 3.23Å; R500-K504 PolarHBondContact O-N 2.89Å
501	T	84.7	Confident	86.3	Confident	47 Å²	47	62.1 Å²	62.1	29%	0.288	30%	0.298	S	S	.	.	H	α-helix	trans	-78.5	-41.3	178.7	-51.9	0	0	0	0	111.8	Q60 L61 N499 T505	Q60-T501 HydrophobicContact CB-CG2 4.34Å; L61-T501 HydrophobicContact CD2-CG2 3.59Å; L61-T501 HydrophobicContact CG-CG2 3.98Å; N499-T501 PolarHBondContact O-N 3.48Å; N499-T501 WeakPolarHBondContact OD1-CB 3.44Å; N499-T501 PolarHBondContact OD1-N 3Å; T501-T505 WeakPolarHBondContact O-CB 3.4Å; T501-T505 PolarHBondContact O-N 3.04Å; T501-T505 PolarHBondContact O-OG1 3.13Å
502	F	84.4	Confident	86	Confident	1 Å²	1	67 Å²	67	0%	0.004	33%	0.331	C	S	.	.	H	α-helix	trans	-60.5	-48.7	168.1	-86.9	-73.3	0	0	0	110.1	V51 L61 L69 N499 K504 T505 F506	V51-F502 HydrophobicContact CG1-CE1 4.16Å; V51-F502 HydrophobicContact CG1-CZ 4.46Å; L61-F502 HydrophobicContact CD1-CD1 3.71Å; L61-F502 HydrophobicContact CD1-CE1 3.76Å; L61-F502 HydrophobicContact CD1-CG 4.12Å; L61-F502 HydrophobicContact CD1-CZ 4.2Å; L61-F502 HydrophobicContact CD2-CD1 4.49Å; L61-F502 HydrophobicContact CD2-CD2 3.87Å; L61-F502 HydrophobicContact CD2-CE2 3.93Å; L61-F502 HydrophobicContact CD2-CG 4.16Å; L61-F502 HydrophobicContact CD2-CZ 4.28Å; L69-F502 HydrophobicContact CD1-CE2 4.13Å; N499-F502 HydrophobicContact CB-CB 4.21Å; N499-F502 HydrophobicContact CB-CD2 3.93Å; N499-F502 WeakPolarHBondContact ND2-CD2 3.29Å; N499-F502 PolarHBondContact O-N 2.77Å; F502-K504 VanDerWaalsContact C-N 3.34Å; F502-K504 PolarHBondContact O-N 3.33Å; F502-T505 CarbonylContact O-C 3.51Å; F502-T505 WeakPolarHBondContact O-CA 3.15Å; F502-T505 WeakPolarHBondContact O-CB 3.46Å; F502-T505 PolarHBondContact O-N 3.03Å; F502-F506 HydrophobicContact CD1-CD1 4.48Å; F502-F506 AromaticContact CD1-CE1 3.81Å; F502-F506 HydrophobicContact CD1-CE1 3.81Å; F502-F506 HydrophobicContact CD1-CZ 4.4Å; F502-F506 WeakPolarHBondContact O-CD1 3.41Å; F502-F506 PolarHBondContact O-N 3.25Å
503	R	88.3	Confident	85.6	Confident	121 Å²	121	74.7 Å²	74.7	46%	0.457	36%	0.36	S	S	.	.	H	α-helix	trans	-55	-42.7	178.8	-155	171	73.9	179.9	9.3	114.1	A496 N499 K507	A496-R503 VanDerWaalsContact O-CB 3.22Å; A496-R503 WeakPolarHBondContact O-CB 3.44Å; A496-R503 WeakPolarHBondContact O-CD 3.24Å; A496-R503 WeakPolarHBondContact O-CG 3.4Å; N499-R503 PolarHBondContact O-N 3.44Å; R503-K507 PolarHBondContact O-N 3.18Å; R503-K507 VanDerWaalsContact O-N 3.17Å
504	K	88.1	Confident	84.8	Confident	166 Å²	166	72.7 Å²	72.7	72%	0.722	35%	0.347	S	S	*	.	H	α-helix	trans	-66.7	-40.1	173.7	-81	-171.6	173.8	-166.8	0	112	R500 F502 M508	R500-K504 WeakPolarHBondContact O-CB 3.31Å; R500-K504 WeakPolarHBondContact O-CG 3.23Å; R500-K504 PolarHBondContact O-N 2.89Å; F502-K504 VanDerWaalsContact C-N 3.34Å; F502-K504 PolarHBondContact O-N 3.33Å; K504-M508 WeakPolarHBondContact O-CB 3.44Å; K504-M508 PolarHBondContact O-N 3.3Å; K504-M508 VanDerWaalsContact O-N 3.1Å
505	T	87.9	Confident	83.7	Confident	1 Å²	1	80.6 Å²	80.6	1%	0.006	38%	0.38	C	S	.	.	H	α-helix	trans	-67	-47.4	179.3	-51.3	0	0	0	0	110.8	S54 N58 L61 T501 F502 K507 M508 L509 W514	S54-T505 WeakPolarHBondContact OG-CG2 3.38Å; N58-T505 HydrophobicContact CB-CG2 4.17Å; N58-T505 PolarHBondContact ND2-OG1 3.44Å; L61-T505 HydrophobicContact CD1-CG2 4.42Å; T501-T505 WeakPolarHBondContact O-CB 3.4Å; T501-T505 PolarHBondContact O-N 3.04Å; T501-T505 PolarHBondContact O-OG1 3.13Å; F502-T505 CarbonylContact O-C 3.51Å; F502-T505 WeakPolarHBondContact O-CA 3.15Å; F502-T505 WeakPolarHBondContact O-CB 3.46Å; F502-T505 PolarHBondContact O-N 3.03Å; T505-K507 PolarHBondContact O-N 3.13Å; T505-M508 CarbonylContact O-C 3.59Å; T505-M508 PolarHBondContact O-N 2.92Å; T505-M508 VanDerWaalsContact O-N 3.1Å; T505-L509 HydrophobicContact CG2-CD1 4.05Å; T505-L509 HydrophobicContact CG2-CG 4.39Å; T505-L509 WeakPolarHBondContact O-CG 3.29Å; T505-L509 PolarHBondContact O-N 3.15Å; T505-W514 HydrophobicContact CG2-CZ3 4.03Å
506	F	89.6	Confident	82.7	Confident	18 Å²	18	87.3 Å²	87.3	8%	0.079	41%	0.409	C	S	.	.	H	α-helix	trans	-55.9	-52.3	175.6	-78	19.8	0	0	0	111.4	L50 V51 S54 A496 F502 M508 L509 L510	L50-F506 HydrophobicContact CB-CE1 4.2Å; L50-F506 HydrophobicContact CB-CZ 4.29Å; V51-F506 HydrophobicContact CG2-CE1 4.5Å; V51-F506 HydrophobicContact CG2-CZ 3.84Å; S54-F506 VanDerWaalsContact OG-CD1 3.26Å; S54-F506 WeakPolarHBondContact OG-CD1 3.5Å; S54-F506 VanDerWaalsContact OG-CE1 3.31Å; S54-F506 WeakPolarHBondContact OG-CE1 3.38Å; A496-F506 HydrophobicContact CB-CD2 3.71Å; A496-F506 HydrophobicContact CB-CE2 3.76Å; F502-F506 HydrophobicContact CD1-CD1 4.48Å; F502-F506 AromaticContact CD1-CE1 3.81Å; F502-F506 HydrophobicContact CD1-CE1 3.81Å; F502-F506 HydrophobicContact CD1-CZ 4.4Å; F502-F506 WeakPolarHBondContact O-CD1 3.41Å; F502-F506 PolarHBondContact O-N 3.25Å; F506-M508 VanDerWaalsContact C-N 3.25Å; F506-M508 PolarHBondContact O-N 2.99Å; F506-L509 PolarHBondContact O-N 3.07Å; F506-L510 WeakPolarHBondContact O-CB 3.4Å; F506-L510 WeakPolarHBondContact O-CG 3.3Å; F506-L510 PolarHBondContact O-N 2.89Å
507	K	88.6	Confident	81.8	Confident	143 Å²	143	89.7 Å²	89.7	62%	0.622	42%	0.415	S	S	*	.	H	α-helix	trans	-60.2	-33.5	176.8	-74.4	-160.6	173	-156.7	0	113	R503 T505 L511	R503-K507 PolarHBondContact O-N 3.18Å; R503-K507 VanDerWaalsContact O-N 3.17Å; T505-K507 PolarHBondContact O-N 3.13Å; K507-L511 VanDerWaalsContact O-CB 3.27Å; K507-L511 WeakPolarHBondContact O-CB 3.41Å; K507-L511 WeakPolarHBondContact O-CD1 3.46Å; K507-L511 WeakPolarHBondContact O-CG 3.44Å; K507-L511 PolarHBondContact O-N 3.44Å; K507-L511 VanDerWaalsContact O-N 3.16Å
508	M	87.2	Confident	81	Confident	37 Å²	37	89.9 Å²	89.9	18%	0.182	41%	0.411	C	S	.	.	H	α-helix	trans	-78.1	-28.2	178.3	177.4	163.5	36.8	0	0	113.6	K504 T505 F506 C512 R513 W514 K517	K504-M508 WeakPolarHBondContact O-CB 3.44Å; K504-M508 PolarHBondContact O-N 3.3Å; K504-M508 VanDerWaalsContact O-N 3.1Å; T505-M508 CarbonylContact O-C 3.59Å; T505-M508 PolarHBondContact O-N 2.92Å; T505-M508 VanDerWaalsContact O-N 3.1Å; F506-M508 VanDerWaalsContact C-N 3.25Å; F506-M508 PolarHBondContact O-N 2.99Å; M508-C512 CarbonylContact O-C 3.54Å; M508-C512 PolarHBondContact O-N 3.4Å; M508-R513 HydrophobicContact CG-CB 4.33Å; M508-R513 PolarHBondContact O-N 2.03Å; M508-W514 HydrophobicContact CE-CD2 4.45Å; M508-W514 HydrophobicContact CE-CE3 3.45Å; M508-W514 VanDerWaalsContact CE-CE3 3.45Å; M508-W514 HydrophobicContact CE-CH2 4.32Å; M508-W514 HydrophobicContact CE-CZ3 3.38Å; M508-W514 HydrophobicContact CG-CB 4.01Å; M508-W514 HydrophobicContact CG-CE3 3.96Å; M508-W514 PolarHBondContact O-N 2.81Å; M508-W514 HydrophobicContact SD-CD2 4.31Å; M508-W514 HydrophobicContact SD-CE3 3.79Å; M508-W514 HydrophobicContact SD-CZ3 4.28Å; M508-K517 HydrophobicContact CE-CD 4.12Å; M508-K517 HydrophobicContact SD-CB 4.05Å; M508-K517 HydrophobicContact SD-CD 3.64Å; M508-K517 HydrophobicContact SD-CG 4.44Å
509	L	88.3	Confident	80.4	Confident	33 Å²	33	92.2 Å²	92.2	17%	0.173	42%	0.424	C	S	.	.	H	α-helix	trans	-75.3	-50.2	172.1	-69.4	172.5	0	0	0	111.1	L50 I53 S54 T505 F506 L511 C512 W514	L50-L509 HydrophobicContact CD2-CB 4.14Å; L50-L509 HydrophobicContact CD2-CD1 4.18Å; I53-L509 HydrophobicContact CB-CD1 4.41Å; I53-L509 HydrophobicContact CG2-CD1 3.79Å; I53-L509 HydrophobicContact CG2-CD2 3.97Å; S54-L509 WeakPolarHBondContact OG-CD1 3.48Å; T505-L509 HydrophobicContact CG2-CD1 4.05Å; T505-L509 HydrophobicContact CG2-CG 4.39Å; T505-L509 WeakPolarHBondContact O-CG 3.29Å; T505-L509 PolarHBondContact O-N 3.15Å; F506-L509 PolarHBondContact O-N 3.07Å; L509-L511 VanDerWaalsContact C-N 3.31Å; L509-L511 PolarHBondContact O-N 2.91Å; L509-C512 WeakPolarHBondContact O-CA 3.21Å; L509-C512 PolarHBondContact O-N 2.91Å; L509-W514 HydrophobicContact CD2-CB 4.46Å
510	L	87.9	Confident	79.7	Confident	115 Å²	115	94.4 Å²	94.4	60%	0.602	43%	0.432	S	S	*	.	H	α-helix	trans	-61.5	-34.8	179.6	-71.5	169.2	0	0	0	113.2	L50 F506 C512	L50-L510 HydrophobicContact CD1-CD2 3.95Å; L50-L510 HydrophobicContact CD1-CG 4.36Å; F506-L510 WeakPolarHBondContact O-CB 3.4Å; F506-L510 WeakPolarHBondContact O-CG 3.3Å; F506-L510 PolarHBondContact O-N 2.89Å; L510-C512 VanDerWaalsContact C-N 3.28Å
511	L	89.8	Confident	79.1	Confident	105 Å²	105	90 Å²	90	55%	0.55	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	8.3	173.8	-61.1	173.5	0	0	0	113.1	K507 L509 R513	K507-L511 VanDerWaalsContact O-CB 3.27Å; K507-L511 WeakPolarHBondContact O-CB 3.41Å; K507-L511 WeakPolarHBondContact O-CD1 3.46Å; K507-L511 WeakPolarHBondContact O-CG 3.44Å; K507-L511 PolarHBondContact O-N 3.44Å; K507-L511 VanDerWaalsContact O-N 3.16Å; L509-L511 VanDerWaalsContact C-N 3.31Å; L509-L511 PolarHBondContact O-N 2.91Å; L511-R513 HydrophobicContact CB-CG 3.91Å; L511-R513 VanDerWaalsContact O-CG 3.26Å; L511-R513 WeakPolarHBondContact O-CG 3.36Å; L511-R513 PolarHBondContact O-N 2.86Å
512	C	84.6	Confident	78.1	Confident	103 Å²	103	94.3 Å²	94.3	70%	0.696	43%	0.434	S	S	*	.			trans	53	9.6	-175.5	-60.6	0	0	0	0	116.8	M508 L509 L510 W514	M508-C512 CarbonylContact O-C 3.54Å; M508-C512 PolarHBondContact O-N 3.4Å; L509-C512 WeakPolarHBondContact O-CA 3.21Å; L509-C512 PolarHBondContact O-N 2.91Å; L510-C512 VanDerWaalsContact C-N 3.28Å; C512-W514 PolarHBondContact O-N 3.24Å; C512-W514 VanDerWaalsContact O-N 3.09Å
513	R	82.6	Confident	77.3	Confident	165 Å²	165	99.4 Å²	99.4	62%	0.623	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.3	-173.4	-58	-169	-178.7	-171.3	-1.3	114.3	M508 L511 K515 K516 K517	M508-R513 HydrophobicContact CG-CB 4.33Å; M508-R513 PolarHBondContact O-N 2.03Å; L511-R513 HydrophobicContact CB-CG 3.91Å; L511-R513 VanDerWaalsContact O-CG 3.26Å; L511-R513 WeakPolarHBondContact O-CG 3.36Å; L511-R513 PolarHBondContact O-N 2.86Å; R513-K515 VanDerWaalsContact C-N 3.32Å; R513-K515 PolarHBondContact O-N 3.38Å; R513-K516 PolarHBondContact O-N 2.71Å; R513-K516 VanDerWaalsContact O-N 3.14Å; R513-K517 PolarHBondContact O-N 3.02Å; R513-K517 VanDerWaalsContact O-N 3.13Å
514	W	71.8	Confident	76.4	Confident	44 Å²	44	100.3 Å²	100.3	17%	0.167	47%	0.465	C	S	.	.	H	α-helix	trans	-58	-40	179.6	-167.5	-75.3	0	0	0	113	V57 N58 T505 M508 L509 C512 K516 K517 K518	V57-W514 HydrophobicContact CG1-CD2 3.43Å; V57-W514 VanDerWaalsContact CG1-CD2 3.43Å; V57-W514 HydrophobicContact CG1-CE3 3.79Å; V57-W514 HydrophobicContact CG1-CG 4.06Å; V57-W514 HydrophobicContact CG1-CH2 3.82Å; V57-W514 HydrophobicContact CG1-CZ2 3.44Å; V57-W514 VanDerWaalsContact CG1-CZ2 3.44Å; V57-W514 HydrophobicContact CG1-CZ3 3.96Å; N58-W514 HydrophobicContact CB-CH2 3.86Å; N58-W514 HydrophobicContact CB-CZ3 4.21Å; T505-W514 HydrophobicContact CG2-CZ3 4.03Å; M508-W514 HydrophobicContact CE-CD2 4.45Å; M508-W514 HydrophobicContact CE-CE3 3.45Å; M508-W514 VanDerWaalsContact CE-CE3 3.45Å; M508-W514 HydrophobicContact CE-CH2 4.32Å; M508-W514 HydrophobicContact CE-CZ3 3.38Å; M508-W514 HydrophobicContact CG-CB 4.01Å; M508-W514 HydrophobicContact CG-CE3 3.96Å; M508-W514 PolarHBondContact O-N 2.81Å; M508-W514 HydrophobicContact SD-CD2 4.31Å; M508-W514 HydrophobicContact SD-CE3 3.79Å; M508-W514 HydrophobicContact SD-CZ3 4.28Å; L509-W514 HydrophobicContact CD2-CB 4.46Å; C512-W514 PolarHBondContact O-N 3.24Å; C512-W514 VanDerWaalsContact O-N 3.09Å; W514-K516 VanDerWaalsContact C-N 3.32Å; W514-K516 PolarHBondContact O-N 3.39Å; W514-K517 PolarHBondContact O-N 3.4Å; W514-K518 WeakPolarHBondContact O-CB 3.48Å; W514-K518 PolarHBondContact O-N 3.4Å
515	K	64.5	Low	75.2	Confident	178 Å²	178	100.9 Å²	100.9	77%	0.774	46%	0.463	S	S	*	.	H	α-helix	trans	-57.5	-46.3	176.1	-82.2	-172	177.5	-179.8	0	111	R513 K518 V519	R513-K515 VanDerWaalsContact C-N 3.32Å; R513-K515 PolarHBondContact O-N 3.38Å; K515-K518 PolarHBondContact O-N 3.22Å; K515-V519 WeakPolarHBondContact O-CG2 3.41Å; K515-V519 PolarHBondContact O-N 3.18Å; K515-V519 VanDerWaalsContact O-N 3.09Å
516	K	61.8	Low	74	Confident	147 Å²	147	106.7 Å²	106.7	64%	0.639	49%	0.49	S	S	*	.	H	α-helix	trans	-62.4	-49.4	-179	-157.6	-178.3	178	175.3	0	111.5	R513 W514 K518 V519 E520	R513-K516 PolarHBondContact O-N 2.71Å; R513-K516 VanDerWaalsContact O-N 3.14Å; W514-K516 VanDerWaalsContact C-N 3.32Å; W514-K516 PolarHBondContact O-N 3.39Å; K516-K518 VanDerWaalsContact C-N 3.33Å; K516-K518 PolarHBondContact O-N 3.19Å; K516-V519 WeakPolarHBondContact O-CB 3.44Å; K516-V519 PolarHBondContact O-N 3.45Å; K516-V519 VanDerWaalsContact O-N 3.09Å; K516-E520 VanDerWaalsContact CE-OE1 3.27Å; K516-E520 WeakPolarHBondContact CE-OE1 3.47Å; K516-E520 WeakPolarHBondContact CG-OE1 3.39Å; K516-E520 WeakPolarHBondContact O-CG 3.21Å; K516-E520 PolarHBondContact O-N 3.28Å
517	K	66.1	Low	72.6	Confident	71 Å²	71	107.6 Å²	107.6	31%	0.309	50%	0.504	S	S	.	.	H	α-helix	trans	-59.6	-39.4	176	-177.3	174.2	175.7	-73.5	0	113.1	M508 R513 W514 V519 E520 E521	M508-K517 HydrophobicContact CE-CD 4.12Å; M508-K517 HydrophobicContact SD-CB 4.05Å; M508-K517 HydrophobicContact SD-CD 3.64Å; M508-K517 HydrophobicContact SD-CG 4.44Å; R513-K517 PolarHBondContact O-N 3.02Å; R513-K517 VanDerWaalsContact O-N 3.13Å; W514-K517 PolarHBondContact O-N 3.4Å; K517-V519 VanDerWaalsContact C-N 3.28Å; K517-V519 PolarHBondContact O-N 3.48Å; K517-E520 WeakPolarHBondContact CA-OE2 3.29Å; K517-E520 PolarHBondContact O-N 2.71Å; K517-E521 HydrophobicContact CG-CG 4.42Å; K517-E521 IonicContact NZ-OE1 3.28Å; K517-E521 PolarHBondContact NZ-OE1 3.41Å; K517-E521 IonicContact NZ-OE2 3.78Å; K517-E521 PolarHBondContact NZ-OE2 2.99Å; K517-E521 WeakPolarHBondContact O-CB 3.48Å; K517-E521 WeakPolarHBondContact O-CG 3Å; K517-E521 PolarHBondContact O-N 2.7Å
518	K	64.3	Low	71.1	Confident	128 Å²	128	105 Å²	105	56%	0.557	50%	0.498	S	S	*	.	H	α-helix	trans	-68.8	-27	178.2	-167.1	178.7	-179.6	-175.5	0	112.6	W514 K515 K516 K522	W514-K518 WeakPolarHBondContact O-CB 3.48Å; W514-K518 PolarHBondContact O-N 3.4Å; K515-K518 PolarHBondContact O-N 3.22Å; K516-K518 VanDerWaalsContact C-N 3.33Å; K516-K518 PolarHBondContact O-N 3.19Å; K518-K522 PolarHBondContact O-N 3.31Å
519	V	64.6	Low	69.5	Low	82 Å²	82	107.5 Å²	107.5	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-76.2	-46.2	171.1	171.7	0	0	0	0	110.6	K515 K516 K517 E521 K522 L523	K515-V519 WeakPolarHBondContact O-CG2 3.41Å; K515-V519 PolarHBondContact O-N 3.18Å; K515-V519 VanDerWaalsContact O-N 3.09Å; K516-V519 WeakPolarHBondContact O-CB 3.44Å; K516-V519 PolarHBondContact O-N 3.45Å; K516-V519 VanDerWaalsContact O-N 3.09Å; K517-V519 VanDerWaalsContact C-N 3.28Å; K517-V519 PolarHBondContact O-N 3.48Å; V519-E521 VanDerWaalsContact C-N 3.34Å; V519-E521 PolarHBondContact O-N 3.08Å; V519-K522 WeakPolarHBondContact O-CB 3.32Å; V519-K522 PolarHBondContact O-N 2.89Å; V519-K522 VanDerWaalsContact O-N 3.12Å; V519-L523 HydrophobicContact CG1-CD1 3.83Å; V519-L523 HydrophobicContact CG1-CG 4.32Å; V519-L523 WeakPolarHBondContact O-CG 3.31Å; V519-L523 PolarHBondContact O-N 3.21Å
520	E	65.9	Low	67.8	Low	98 Å²	98	114.2 Å²	114.2	46%	0.458	55%	0.546	S	S	.	.	H	α-helix	trans	-57.1	-44	175.5	-69.9	160.5	176.4	0	0	111.7	K516 K517 L523 Y524	K516-E520 VanDerWaalsContact CE-OE1 3.27Å; K516-E520 WeakPolarHBondContact CE-OE1 3.47Å; K516-E520 WeakPolarHBondContact CG-OE1 3.39Å; K516-E520 WeakPolarHBondContact O-CG 3.21Å; K516-E520 PolarHBondContact O-N 3.28Å; K517-E520 WeakPolarHBondContact CA-OE2 3.29Å; K517-E520 PolarHBondContact O-N 2.71Å; E520-L523 PolarHBondContact O-N 3.37Å; E520-Y524 WeakPolarHBondContact O-CB 3.37Å; E520-Y524 PolarHBondContact O-N 2.87Å
521	E	69.7	Low	65.7	Low	86 Å²	86	115.2 Å²	115.2	40%	0.402	55%	0.551	S	S	.	*	H	α-helix	trans	-65.6	-37.6	174.9	-76.1	176.3	137.5	0	0	112.7	K517 V519 W525	K517-E521 HydrophobicContact CG-CG 4.42Å; K517-E521 IonicContact NZ-OE1 3.28Å; K517-E521 PolarHBondContact NZ-OE1 3.41Å; K517-E521 IonicContact NZ-OE2 3.78Å; K517-E521 PolarHBondContact NZ-OE2 2.99Å; K517-E521 WeakPolarHBondContact O-CB 3.48Å; K517-E521 WeakPolarHBondContact O-CG 3Å; K517-E521 PolarHBondContact O-N 2.7Å; V519-E521 VanDerWaalsContact C-N 3.34Å; V519-E521 PolarHBondContact O-N 3.08Å; E521-W525 PolarHBondContact O-N 3.08Å
522	K	64.9	Low	63.6	Low	138 Å²	138	119.6 Å²	119.6	60%	0.6	59%	0.587	S	S	*	*	H	α-helix	trans	-63.5	-47	173.2	-89.3	-167.5	166.6	-158.6	0	111.8	K518 V519 Y524 W525 Q526	K518-K522 PolarHBondContact O-N 3.31Å; V519-K522 WeakPolarHBondContact O-CB 3.32Å; V519-K522 PolarHBondContact O-N 2.89Å; V519-K522 VanDerWaalsContact O-N 3.12Å; K522-Y524 VanDerWaalsContact C-N 3.34Å; K522-Y524 PolarHBondContact O-N 3.15Å; K522-W525 PolarHBondContact O-N 2.93Å; K522-Q526 WeakPolarHBondContact O-CG 3.13Å; K522-Q526 PolarHBondContact O-N 2.65Å
523	L	66.2	Low	62.5	Low	108 Å²	108	120.5 Å²	120.5	57%	0.565	58%	0.581	S	S	*	*	H	α-helix	trans	-63	-40.2	179.9	-70.7	169.8	0	0	0	111.5	V519 E520 Q526 G527	V519-L523 HydrophobicContact CG1-CD1 3.83Å; V519-L523 HydrophobicContact CG1-CG 4.32Å; V519-L523 WeakPolarHBondContact O-CG 3.31Å; V519-L523 PolarHBondContact O-N 3.21Å; E520-L523 PolarHBondContact O-N 3.37Å; L523-Q526 PolarHBondContact O-N 3.2Å; L523-G527 PolarHBondContact O-N 2.92Å
524	Y	70.1	Confident	61.5	Low	140 Å²	140	118.1 Å²	118.1	55%	0.549	58%	0.579	S	S	.	*	H	α-helix	trans	-59.3	-48.4	174.9	-178.6	-95.9	0	0	0	112.2	E520 K522 G527 N528	E520-Y524 WeakPolarHBondContact O-CB 3.37Å; E520-Y524 PolarHBondContact O-N 2.87Å; K522-Y524 VanDerWaalsContact C-N 3.34Å; K522-Y524 PolarHBondContact O-N 3.15Å; Y524-G527 PolarHBondContact O-N 3.47Å; Y524-N528 PolarHBondContact O-N 3.21Å
525	W	62.8	Low	60.9	Low	179 Å²	179	122.2 Å²	122.2	68%	0.678	60%	0.602	S	S	*	*	H	α-helix	trans	-67.4	-35.1	177.6	-72.5	115.5	0	0	0	113.1	E521 K522 G527 S529	E521-W525 PolarHBondContact O-N 3.08Å; K522-W525 PolarHBondContact O-N 2.93Å; W525-G527 VanDerWaalsContact C-N 3.32Å; W525-S529 WeakPolarHBondContact O-CB 2.98Å; W525-S529 PolarHBondContact O-N 2.8Å; W525-S529 VanDerWaalsContact O-N 3.11Å; W525-S529 PolarHBondContact O-OG 3.36Å
526	Q	61.9	Low	60.7	Low	122 Å²	122	118.9 Å²	118.9	57%	0.57	59%	0.592	S	S	*	*	H	α-helix	trans	-73.2	-20.2	174.1	-70.5	-176.5	-88.9	0	0	113.9	K522 L523 S529	K522-Q526 WeakPolarHBondContact O-CG 3.13Å; K522-Q526 PolarHBondContact O-N 2.65Å; L523-Q526 PolarHBondContact O-N 3.2Å; Q526-S529 PolarHBondContact O-OG 2.91Å
527	G	60.5	Low	60.6	Low	37 Å²	37	117.2 Å²	117.2	38%	0.381	59%	0.589	S	S	.	*	H	α-helix	trans	-79.5	-49.7	171.4	0	0	0	0	0	111.9	L523 Y524 W525 S529 K530	L523-G527 PolarHBondContact O-N 2.92Å; Y524-G527 PolarHBondContact O-N 3.47Å; W525-G527 VanDerWaalsContact C-N 3.32Å; G527-S529 PolarHBondContact O-N 2.86Å; G527-K530 PolarHBondContact O-N 3.1Å; G527-K530 VanDerWaalsContact O-N 3.11Å
528	N	57.6	Low	60.3	Low	90 Å²	90	120.3 Å²	120.3	48%	0.481	61%	0.607	S	S	.	*	H	α-helix	trans	-66.3	-23.3	178	-86.8	27.4	0	0	0	113.3	Y524 K530	Y524-N528 PolarHBondContact O-N 3.21Å; N528-K530 PolarHBondContact O-N 3.36Å
529	S	54.5	Low	60	Low	89 Å²	89	119.7 Å²	119.7	62%	0.622	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	18.7	172.5	76	0	0	0	0	113.9	W525 Q526 G527	W525-S529 WeakPolarHBondContact O-CB 2.98Å; W525-S529 PolarHBondContact O-N 2.8Å; W525-S529 VanDerWaalsContact O-N 3.11Å; W525-S529 PolarHBondContact O-OG 3.36Å; Q526-S529 PolarHBondContact O-OG 2.91Å; G527-S529 PolarHBondContact O-N 2.86Å
530	K	51.6	Low	59.6	Low	174 Å²	174	122.6 Å²	122.6	76%	0.757	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.1	7.5	-176.5	-78.7	-166.1	171.1	-164.2	0	115.1	G527 N528	G527-K530 PolarHBondContact O-N 3.1Å; G527-K530 VanDerWaalsContact O-N 3.11Å; N528-K530 PolarHBondContact O-N 3.36Å
531	L	43.1	Very low	59.1	Low	135 Å²	135	124.7 Å²	124.7	71%	0.707	63%	0.633	S	S	*	*			trans	-88.2	133.3	161.9	-74.8	90.8	0	0	0	108.8
532	P	46.6	Very low	58.2	Low	198 Å²	198	128.2 Å²	128.2	100%	1.286	65%	0.654	S	S	*	*			trans	-76.1	0	174.4	34.4	-35.7	0	0	0	112.6

Retrieved 532 of 532 residues in 88.7 ms (Link to these results)

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