A0A060WXA8_ONCMY Loading...

Nfe2 like bZIP transcription factor 2a

AlphaFold DB , UniProt , Accession A0A060WXA8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 613 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	55.4	Low	213 Å²	213	162.5 Å²	162.5	100%	1.049	81%	0.809	S	S	*	*				0	155.1	0	-61.8	175	-170.2	0	0	106.8
2	M	38.5	Very low	58.1	Low	188 Å²	188	153.6 Å²	153.6	93%	0.926	77%	0.774	S	S	*	*			trans	-88.5	113.3	160.8	-75	179	176.8	0	0	106.6	T4	M2-T4 PolarHBondContact O-N 3.44Å
3	E	44.6	Very low	60.4	Low	176 Å²	176	151.5 Å²	151.5	82%	0.822	76%	0.76	S	S	*	*			trans	-81.6	105.1	171	-70.8	173.3	166.7	0	0	106.8	E5	E3-E5 PolarHBondContact O-N 3.09Å
4	T	49.8	Very low	62.4	Low	131 Å²	131	152 Å²	152	80%	0.804	76%	0.758	S	S	*	*			trans	-72	98.2	172.1	44.2	0	0	0	0	108.4	M2 M6	M2-T4 PolarHBondContact O-N 3.44Å; T4-M6 VanDerWaalsContact C-N 3.32Å; T4-M6 PolarHBondContact O-N 2.74Å
5	E	48.3	Very low	64.1	Low	168 Å²	168	146.9 Å²	146.9	79%	0.785	74%	0.735	S	S	*	*			trans	-59.7	92.8	171.4	-78.3	-168	117.4	0	0	110.5	E3 H7	E3-E5 PolarHBondContact O-N 3.09Å; E5-H7 PolarHBondContact O-N 2.91Å; E5-H7 PolarHBondContact O-ND1 2.77Å; E5-H7 VanDerWaalsContact O-ND1 3.13Å
6	M	55.1	Low	65.5	Low	176 Å²	176	141.6 Å²	141.6	87%	0.867	71%	0.712	S	S	*	*			trans	-57.4	107.7	164.5	-98.8	-169.8	66.5	0	0	108.3	T4 K8	T4-M6 VanDerWaalsContact C-N 3.32Å; T4-M6 PolarHBondContact O-N 2.74Å; M6-K8 PolarHBondContact O-N 2.88Å
7	H	53.9	Low	66.8	Low	164 Å²	164	137.9 Å²	137.9	76%	0.759	70%	0.695	S	S	*	*			trans	-59.7	110.5	176.4	-81.2	40.2	0	0	0	109.1	E5 M9	E5-H7 PolarHBondContact O-N 2.91Å; E5-H7 PolarHBondContact O-ND1 2.77Å; E5-H7 VanDerWaalsContact O-ND1 3.13Å; H7-M9 VanDerWaalsContact C-N 3.31Å; H7-M9 PolarHBondContact O-N 3.48Å
8	K	56.3	Low	68	Low	183 Å²	183	135.4 Å²	135.4	80%	0.796	68%	0.684	S	S	*	*			trans	-71.5	87.4	-178.3	-170.9	175.2	-178.2	177.4	0	109.5	M6 N10	M6-K8 PolarHBondContact O-N 2.88Å; K8-N10 PolarHBondContact O-N 3.33Å
9	M	67.6	Low	68.9	Low	180 Å²	180	133.6 Å²	133.6	89%	0.887	68%	0.675	S	S	*	*			trans	-58.5	108.9	169.5	-80.7	-173.2	151.3	0	0	109	H7	H7-M9 VanDerWaalsContact C-N 3.31Å; H7-M9 PolarHBondContact O-N 3.48Å
10	N	75.3	Confident	69.7	Low	132 Å²	132	129.7 Å²	129.7	71%	0.706	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-75.6	135	168.9	-63.3	-47.7	0	0	0	108.3	K8	K8-N10 PolarHBondContact O-N 3.33Å
11	P	80	Confident	70.4	Confident	77 Å²	77	127.9 Å²	127.9	50%	0.5	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-61.3	147.4	176.4	26.4	-34.2	0	0	0	110.6	D15 V16	P11-D15 HydrophobicContact CB-CB 3.89Å; P11-V16 HydrophobicContact CB-CG2 4.08Å; P11-V16 HydrophobicContact CG-CG2 3.82Å
12	S	88.5	Confident	72.6	Confident	55 Å²	55	120.2 Å²	120.2	39%	0.385	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-70.7	162.7	172.2	77.8	0	0	0	0	110.5	Q14 D15 V16	S12-Q14 PolarHBondContact O-N 2.82Å; S12-Q14 PolarHBondContact OG-N 2.92Å; S12-D15 WeakPolarHBondContact CA-OD2 3.21Å; S12-D15 WeakPolarHBondContact CB-OD2 3.44Å; S12-D15 PolarHBondContact N-OD2 3.34Å; S12-D15 WeakPolarHBondContact O-CB 3.23Å; S12-D15 PolarHBondContact O-N 2.6Å; S12-D15 VanDerWaalsContact OG-CG 3.29Å; S12-D15 PolarHBondContact OG-N 2.8Å; S12-D15 PolarHBondContact OG-OD2 3.36Å; S12-V16 WeakPolarHBondContact O-CG2 3.49Å; S12-V16 PolarHBondContact O-N 2.7Å
13	Q	88.1	Confident	74.6	Confident	126 Å²	126	116.9 Å²	116.9	59%	0.589	59%	0.587	S	S	*	*	H	α-helix	trans	-56.4	-34.5	175	-171.9	61.1	50.1	0	0	111.9	D15 V16 D17	Q13-D15 VanDerWaalsContact C-N 3.35Å; Q13-D15 PolarHBondContact O-N 2.94Å; Q13-V16 PolarHBondContact O-N 3.06Å; Q13-D17 PolarHBondContact NE2-OD1 3.05Å; Q13-D17 WeakPolarHBondContact O-CB 3.48Å; Q13-D17 PolarHBondContact O-N 2.93Å
14	Q	88.3	Confident	76.3	Confident	159 Å²	159	115.3 Å²	115.3	74%	0.743	57%	0.574	S	S	*	*	H	α-helix	trans	-67.3	-35.6	177.3	-61.9	-178.6	4	0	0	112.1	S12 L18	S12-Q14 PolarHBondContact O-N 2.82Å; S12-Q14 PolarHBondContact OG-N 2.92Å; Q14-L18 WeakPolarHBondContact O-CB 3.45Å; Q14-L18 PolarHBondContact O-N 2.79Å
15	D	87.3	Confident	77.7	Confident	76 Å²	76	112.4 Å²	112.4	41%	0.406	55%	0.551	S	S	.	*	H	α-helix	trans	-69.6	-41.1	174	-56	-60.1	0	0	0	111	P11 S12 Q13 L18 I19	P11-D15 HydrophobicContact CB-CB 3.89Å; S12-D15 WeakPolarHBondContact CA-OD2 3.21Å; S12-D15 WeakPolarHBondContact CB-OD2 3.44Å; S12-D15 PolarHBondContact N-OD2 3.34Å; S12-D15 WeakPolarHBondContact O-CB 3.23Å; S12-D15 PolarHBondContact O-N 2.6Å; S12-D15 VanDerWaalsContact OG-CG 3.29Å; S12-D15 PolarHBondContact OG-N 2.8Å; S12-D15 PolarHBondContact OG-OD2 3.36Å; Q13-D15 VanDerWaalsContact C-N 3.35Å; Q13-D15 PolarHBondContact O-N 2.94Å; D15-L18 PolarHBondContact O-N 3.44Å; D15-I19 WeakPolarHBondContact O-CB 3.45Å; D15-I19 WeakPolarHBondContact O-CD1 3.49Å; D15-I19 WeakPolarHBondContact O-CG1 3.37Å; D15-I19 PolarHBondContact O-N 3.11Å
16	V	86.6	Confident	79.1	Confident	61 Å²	61	104.5 Å²	104.5	37%	0.37	51%	0.514	S	S	.	.	H	α-helix	trans	-63.1	-48.8	176.1	175.7	0	0	0	0	110.9	P11 S12 Q13 L18 I19 D20	P11-V16 HydrophobicContact CB-CG2 4.08Å; P11-V16 HydrophobicContact CG-CG2 3.82Å; S12-V16 WeakPolarHBondContact O-CG2 3.49Å; S12-V16 PolarHBondContact O-N 2.7Å; Q13-V16 PolarHBondContact O-N 3.06Å; V16-L18 VanDerWaalsContact C-N 3.29Å; V16-L18 PolarHBondContact O-N 2.95Å; V16-I19 PolarHBondContact O-N 3.02Å; V16-D20 WeakPolarHBondContact O-CB 3.5Å; V16-D20 PolarHBondContact O-N 3Å
17	D	87.8	Confident	80.1	Confident	80 Å²	80	100.3 Å²	100.3	43%	0.428	50%	0.495	S	S	.	.	H	α-helix	trans	-60	-40.4	176.7	-65.9	-16.9	0	0	0	111.2	Q13 D20 I21	Q13-D17 PolarHBondContact NE2-OD1 3.05Å; Q13-D17 WeakPolarHBondContact O-CB 3.48Å; Q13-D17 PolarHBondContact O-N 2.93Å; D17-D20 PolarHBondContact O-N 3.17Å; D17-I21 WeakPolarHBondContact O-CB 3.46Å; D17-I21 WeakPolarHBondContact O-CD1 3.36Å; D17-I21 VanDerWaalsContact O-CG1 3.24Å; D17-I21 WeakPolarHBondContact O-CG1 3.42Å; D17-I21 PolarHBondContact O-N 3.42Å
18	L	88.8	Confident	81	Confident	92 Å²	92	98.9 Å²	98.9	48%	0.482	49%	0.493	S	S	.	.	H	α-helix	trans	-66.7	-44.5	176.2	179.2	60.1	0	0	0	111.9	Q14 D15 V16 D20 I21 L22	Q14-L18 WeakPolarHBondContact O-CB 3.45Å; Q14-L18 PolarHBondContact O-N 2.79Å; D15-L18 PolarHBondContact O-N 3.44Å; V16-L18 VanDerWaalsContact C-N 3.29Å; V16-L18 PolarHBondContact O-N 2.95Å; L18-D20 VanDerWaalsContact C-N 3.29Å; L18-D20 PolarHBondContact O-N 2.79Å; L18-I21 PolarHBondContact O-N 3.2Å; L18-L22 HydrophobicContact CD1-CD1 3.98Å; L18-L22 HydrophobicContact CD1-CG 4.04Å; L18-L22 HydrophobicContact CG-CD1 3.84Å; L18-L22 HydrophobicContact CG-CG 4.34Å; L18-L22 VanDerWaalsContact O-CB 3.24Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 3.13Å
19	I	84.4	Confident	81.6	Confident	101 Å²	101	93.5 Å²	93.5	52%	0.518	47%	0.472	S	S	.	.	H	α-helix	trans	-57.9	-44.4	174.1	-73.3	161.6	0	0	0	110.1	D15 V16 L22 W23	D15-I19 WeakPolarHBondContact O-CB 3.45Å; D15-I19 WeakPolarHBondContact O-CD1 3.49Å; D15-I19 WeakPolarHBondContact O-CG1 3.37Å; D15-I19 PolarHBondContact O-N 3.11Å; V16-I19 PolarHBondContact O-N 3.02Å; I19-L22 PolarHBondContact O-N 2.99Å; I19-W23 VanDerWaalsContact O-CB 3.29Å; I19-W23 WeakPolarHBondContact O-CB 3.45Å; I19-W23 PolarHBondContact O-N 2.89Å
20	D	84.4	Confident	81.5	Confident	56 Å²	56	88.2 Å²	88.2	30%	0.299	46%	0.464	S	S	.	.	H	α-helix	trans	-68	-39.2	-178.2	-151.7	61.3	0	0	0	111.8	V16 D17 L18 R24	V16-D20 WeakPolarHBondContact O-CB 3.5Å; V16-D20 PolarHBondContact O-N 3Å; D17-D20 PolarHBondContact O-N 3.17Å; L18-D20 VanDerWaalsContact C-N 3.29Å; L18-D20 PolarHBondContact O-N 2.79Å; D20-R24 WeakPolarHBondContact O-CB 3.5Å; D20-R24 VanDerWaalsContact O-CD 3.27Å; D20-R24 WeakPolarHBondContact O-CD 3.27Å; D20-R24 WeakPolarHBondContact O-CG 3.34Å; D20-R24 PolarHBondContact O-N 2.79Å; D20-R24 VanDerWaalsContact O-N 3.11Å; D20-R24 IonicContact OD1-NH2 2.65Å; D20-R24 IonicContact OD2-CZ 2.79Å; D20-R24 IonicContact OD2-NE 3.55Å; D20-R24 PolarHBondContact OD2-NE 3.3Å; D20-R24 IonicContact OD2-NH2 3.78Å; D20-R24 PolarHBondContact OD2-NH2 3.32Å
21	I	86.2	Confident	81.2	Confident	91 Å²	91	82.5 Å²	82.5	47%	0.467	43%	0.434	S	S	.	.	H	α-helix	trans	-63.1	-44.6	170.8	-72.9	164.9	0	0	0	111.5	D17 L18 Q25	D17-I21 WeakPolarHBondContact O-CB 3.46Å; D17-I21 WeakPolarHBondContact O-CD1 3.36Å; D17-I21 VanDerWaalsContact O-CG1 3.24Å; D17-I21 WeakPolarHBondContact O-CG1 3.42Å; D17-I21 PolarHBondContact O-N 3.42Å; L18-I21 PolarHBondContact O-N 3.2Å; I21-Q25 VanDerWaalsContact CG2-NE2 3.33Å; I21-Q25 VanDerWaalsContact O-CG 3.31Å; I21-Q25 WeakPolarHBondContact O-CG 3.35Å; I21-Q25 PolarHBondContact O-N 3.5Å; I21-Q25 VanDerWaalsContact O-N 3.07Å
22	L	84.9	Confident	80.4	Confident	52 Å²	52	79.9 Å²	79.9	27%	0.272	42%	0.421	S	S	.	.	H	α-helix	trans	-67.8	-40.5	-179	-77	174.8	0	0	0	111.8	L18 I19 Q25 D26 R521	L18-L22 HydrophobicContact CD1-CD1 3.98Å; L18-L22 HydrophobicContact CD1-CG 4.04Å; L18-L22 HydrophobicContact CG-CD1 3.84Å; L18-L22 HydrophobicContact CG-CG 4.34Å; L18-L22 VanDerWaalsContact O-CB 3.24Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 3.13Å; I19-L22 PolarHBondContact O-N 2.99Å; L22-Q25 WeakPolarHBondContact O-CB 3.44Å; L22-Q25 PolarHBondContact O-N 2.89Å; L22-D26 PolarHBondContact O-N 3.24Å; L22-R521 VanDerWaalsContact C-NH1 3.3Å; L22-R521 PolarHBondContact O-NH1 3.32Å
23	W	79.4	Confident	79	Confident	118 Å²	118	85.8 Å²	85.8	45%	0.447	44%	0.435	S	S	.	.	H	α-helix	trans	-64.5	-47.4	176.6	180	33.3	0	0	0	111.7	I19 Q25 D26 I27	I19-W23 VanDerWaalsContact O-CB 3.29Å; I19-W23 WeakPolarHBondContact O-CB 3.45Å; I19-W23 PolarHBondContact O-N 2.89Å; W23-Q25 VanDerWaalsContact C-N 3.26Å; W23-Q25 PolarHBondContact O-N 3.23Å; W23-D26 PolarHBondContact O-N 2.96Å; W23-D26 VanDerWaalsContact O-N 3.07Å; W23-I27 HydrophobicContact CD2-CD1 4.35Å; W23-I27 HydrophobicContact CG-CD1 4.38Å; W23-I27 HydrophobicContact CZ2-CD1 4.49Å; W23-I27 WeakPolarHBondContact O-CG1 3.25Å; W23-I27 PolarHBondContact O-N 2.65Å
24	R	80.8	Confident	77.8	Confident	144 Å²	144	84.7 Å²	84.7	54%	0.543	43%	0.43	S	S	.	.	H	α-helix	trans	-58.2	-38.7	174.3	-69	165.5	-166.5	-73.5	-3.1	111.8	D20 D26 I27 D28	D20-R24 WeakPolarHBondContact O-CB 3.5Å; D20-R24 VanDerWaalsContact O-CD 3.27Å; D20-R24 WeakPolarHBondContact O-CD 3.27Å; D20-R24 WeakPolarHBondContact O-CG 3.34Å; D20-R24 PolarHBondContact O-N 2.79Å; D20-R24 VanDerWaalsContact O-N 3.11Å; D20-R24 IonicContact OD1-NH2 2.65Å; D20-R24 IonicContact OD2-CZ 2.79Å; D20-R24 IonicContact OD2-NE 3.55Å; D20-R24 PolarHBondContact OD2-NE 3.3Å; D20-R24 IonicContact OD2-NH2 3.78Å; D20-R24 PolarHBondContact OD2-NH2 3.32Å; R24-D26 VanDerWaalsContact C-N 3.31Å; R24-D26 PolarHBondContact O-N 2.76Å; R24-I27 PolarHBondContact O-N 2.99Å; R24-D28 WeakPolarHBondContact O-CB 3.45Å; R24-D28 PolarHBondContact O-N 3.07Å
25	Q	80.5	Confident	76.5	Confident	69 Å²	69	79 Å²	79	32%	0.322	41%	0.407	S	S	.	.	H	α-helix	trans	-63.4	-31.7	175.8	-81.3	-179.4	50.7	0	0	114	I21 L22 W23 L29 K514	I21-Q25 VanDerWaalsContact CG2-NE2 3.33Å; I21-Q25 VanDerWaalsContact O-CG 3.31Å; I21-Q25 WeakPolarHBondContact O-CG 3.35Å; I21-Q25 PolarHBondContact O-N 3.5Å; I21-Q25 VanDerWaalsContact O-N 3.07Å; L22-Q25 WeakPolarHBondContact O-CB 3.44Å; L22-Q25 PolarHBondContact O-N 2.89Å; W23-Q25 VanDerWaalsContact C-N 3.26Å; W23-Q25 PolarHBondContact O-N 3.23Å; Q25-L29 PolarHBondContact O-N 2.78Å; Q25-K514 WeakPolarHBondContact O-CE 3.45Å; Q25-K514 PolarHBondContact O-NZ 3.37Å
26	D	77.1	Confident	75.2	Confident	3 Å²	3	78 Å²	78	2%	0.016	40%	0.398	C	S	.	.	H	α-helix	trans	-82.3	-36.4	179.1	-68.5	-1.7	0	0	0	111.4	L22 W23 R24 D28 L29 G30 A31 F36 R521	L22-D26 PolarHBondContact O-N 3.24Å; W23-D26 PolarHBondContact O-N 2.96Å; W23-D26 VanDerWaalsContact O-N 3.07Å; R24-D26 VanDerWaalsContact C-N 3.31Å; R24-D26 PolarHBondContact O-N 2.76Å; D26-D28 VanDerWaalsContact C-N 3.28Å; D26-D28 PolarHBondContact O-N 2.84Å; D26-L29 WeakPolarHBondContact O-CA 3.48Å; D26-L29 WeakPolarHBondContact O-CB 3.47Å; D26-L29 PolarHBondContact O-N 3.18Å; D26-G30 PolarHBondContact O-N 3.11Å; D26-A31 HydrophobicContact CB-CB 4.26Å; D26-A31 VanDerWaalsContact O-CB 3.31Å; D26-A31 WeakPolarHBondContact O-CB 3.32Å; D26-A31 PolarHBondContact O-N 3.11Å; D26-A31 VanDerWaalsContact O-N 3.13Å; D26-F36 HydrophobicContact CB-CE2 3.84Å; D26-F36 HydrophobicContact CB-CZ 3.98Å; D26-F36 VanDerWaalsContact OD2-CZ 3.29Å; D26-F36 WeakPolarHBondContact OD2-CZ 3.49Å; D26-R521 VanDerWaalsContact CG-CZ 3.49Å; D26-R521 IonicContact OD1-CZ 3.09Å; D26-R521 IonicContact OD1-NH1 2.67Å; D26-R521 PolarHBondContact OD1-NH1 2.83Å; D26-R521 IonicContact OD1-NH2 3.08Å; D26-R521 PolarHBondContact OD1-NH2 2.89Å; D26-R521 IonicContact OD2-CZ 2.73Å; D26-R521 IonicContact OD2-NE 3.31Å; D26-R521 IonicContact OD2-NH1 3.61Å; D26-R521 PolarHBondContact OD2-NH1 2.86Å; D26-R521 IonicContact OD2-NH2 3.53Å
27	I	76.5	Confident	74.2	Confident	88 Å²	88	77.8 Å²	77.8	45%	0.451	40%	0.396	S	S	.	.	H	α-helix	trans	-57.6	-44.1	168.4	-63.9	169.2	0	0	0	110	W23 R24 L29 G30	W23-I27 HydrophobicContact CD2-CD1 4.35Å; W23-I27 HydrophobicContact CG-CD1 4.38Å; W23-I27 HydrophobicContact CZ2-CD1 4.49Å; W23-I27 WeakPolarHBondContact O-CG1 3.25Å; W23-I27 PolarHBondContact O-N 2.65Å; R24-I27 PolarHBondContact O-N 2.99Å; I27-L29 PolarHBondContact O-N 2.85Å; I27-L29 VanDerWaalsContact O-N 3.14Å; I27-G30 PolarHBondContact O-N 2.82Å
28	D	72.8	Confident	73	Confident	134 Å²	134	78.7 Å²	78.7	72%	0.717	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-8.1	174.5	-81.3	-11.7	0	0	0	113.9	R24 D26	R24-D28 WeakPolarHBondContact O-CB 3.45Å; R24-D28 PolarHBondContact O-N 3.07Å; D26-D28 VanDerWaalsContact C-N 3.28Å; D26-D28 PolarHBondContact O-N 2.84Å
29	L	69.2	Low	72.1	Confident	70 Å²	70	78.3 Å²	78.3	37%	0.366	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	1.6	168.8	-72.2	177.5	0	0	0	113.4	Q25 D26 I27 A31 K514 Q518	Q25-L29 PolarHBondContact O-N 2.78Å; D26-L29 WeakPolarHBondContact O-CA 3.48Å; D26-L29 WeakPolarHBondContact O-CB 3.47Å; D26-L29 PolarHBondContact O-N 3.18Å; I27-L29 PolarHBondContact O-N 2.85Å; I27-L29 VanDerWaalsContact O-N 3.14Å; L29-A31 VanDerWaalsContact C-N 3.34Å; L29-K514 HydrophobicContact CD1-CD 3.88Å; L29-K514 HydrophobicContact CD1-CG 4.05Å; L29-K514 HydrophobicContact CD2-CD 4.08Å; L29-K514 HydrophobicContact CG-CD 4.16Å; L29-Q518 HydrophobicContact CD1-CB 4.46Å; L29-Q518 VanDerWaalsContact CD1-OE1 3.28Å
30	G	63.6	Low	71.6	Confident	69 Å²	69	78.1 Å²	78.1	71%	0.711	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	17.9	-174	0	0	0	0	0	113.8	D26 I27 G32	D26-G30 PolarHBondContact O-N 3.11Å; I27-G30 PolarHBondContact O-N 2.82Å; G30-G32 PolarHBondContact O-N 2.96Å
31	A	69.1	Low	70.9	Confident	11 Å²	11	77 Å²	77	9%	0.091	39%	0.386	C	S	.	.			trans	-70.4	110.1	162.6	0	0	0	0	0	108.3	D26 L29 F36	D26-A31 HydrophobicContact CB-CB 4.26Å; D26-A31 VanDerWaalsContact O-CB 3.31Å; D26-A31 WeakPolarHBondContact O-CB 3.32Å; D26-A31 PolarHBondContact O-N 3.11Å; D26-A31 VanDerWaalsContact O-N 3.13Å; L29-A31 VanDerWaalsContact C-N 3.34Å; A31-F36 HydrophobicContact CB-CE2 3.69Å; A31-F36 HydrophobicContact CB-CZ 4.45Å
32	G	63.6	Low	70.1	Confident	22 Å²	22	77 Å²	77	23%	0.227	38%	0.384	C	S	.	.			trans	-70.6	173.9	177.4	0	0	0	0	0	112.5	G30 E34 V35	G30-G32 PolarHBondContact O-N 2.96Å; G32-E34 VanDerWaalsContact C-N 3.28Å; G32-E34 VanDerWaalsContact C-OE2 3.27Å; G32-E34 WeakPolarHBondContact CA-OE1 3.21Å; G32-E34 WeakPolarHBondContact CA-OE2 3.18Å; G32-E34 PolarHBondContact O-N 3.05Å; G32-V35 PolarHBondContact O-N 3.42Å
33	R	59.7	Low	69.9	Low	179 Å²	179	81.1 Å²	81.1	68%	0.675	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-60.2	-42.9	-175.6	-178.7	179.2	-63.9	-84.2	-2.2	110.6	V35 F36 D37	R33-V35 PolarHBondContact O-N 2.76Å; R33-V35 VanDerWaalsContact O-N 3.13Å; R33-F36 PolarHBondContact O-N 2.93Å; R33-F36 VanDerWaalsContact O-N 3.08Å; R33-D37 HydrophobicContact CG-CB 4.3Å; R33-D37 WeakPolarHBondContact O-CB 3.49Å; R33-D37 PolarHBondContact O-N 3.19Å
34	E	62	Low	70	Confident	103 Å²	103	80.9 Å²	80.9	48%	0.481	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-54.2	-26	179.5	65.7	-70.9	165.1	0	0	114.7	G32 F36	G32-E34 VanDerWaalsContact C-N 3.28Å; G32-E34 VanDerWaalsContact C-OE2 3.27Å; G32-E34 WeakPolarHBondContact CA-OE1 3.21Å; G32-E34 WeakPolarHBondContact CA-OE2 3.18Å; G32-E34 PolarHBondContact O-N 3.05Å; E34-F36 VanDerWaalsContact C-N 3.31Å; E34-F36 PolarHBondContact O-N 3.38Å
35	V	61.7	Low	69.8	Low	41 Å²	41	77.9 Å²	77.9	25%	0.248	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-70.3	-30	178.8	-176.4	0	0	0	0	112.1	G32 R33 R41	G32-V35 PolarHBondContact O-N 3.42Å; R33-V35 PolarHBondContact O-N 2.76Å; R33-V35 VanDerWaalsContact O-N 3.13Å; V35-R41 PolarHBondContact O-NH2 2.86Å
36	F	60.4	Low	70	Confident	53 Å²	53	78.7 Å²	78.7	23%	0.232	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-5.6	-175.9	-58.3	-71.9	0	0	0	113.8	D26 A31 R33 E34 Y38 M525	D26-F36 HydrophobicContact CB-CE2 3.84Å; D26-F36 HydrophobicContact CB-CZ 3.98Å; D26-F36 VanDerWaalsContact OD2-CZ 3.29Å; D26-F36 WeakPolarHBondContact OD2-CZ 3.49Å; A31-F36 HydrophobicContact CB-CE2 3.69Å; A31-F36 HydrophobicContact CB-CZ 4.45Å; R33-F36 PolarHBondContact O-N 2.93Å; R33-F36 VanDerWaalsContact O-N 3.08Å; E34-F36 VanDerWaalsContact C-N 3.31Å; E34-F36 PolarHBondContact O-N 3.38Å; F36-Y38 PolarHBondContact O-N 2.87Å; F36-M525 HydrophobicContact CD1-CG 4.39Å
37	D	66.3	Low	70.5	Confident	58 Å²	58	82.6 Å²	82.6	31%	0.31	42%	0.42	S	S	.	.			trans	-72.7	99.1	175	-167.6	-42.5	0	0	0	109.6	R33 C39 H40 R41	R33-D37 HydrophobicContact CG-CB 4.3Å; R33-D37 WeakPolarHBondContact O-CB 3.49Å; R33-D37 PolarHBondContact O-N 3.19Å; D37-C39 VanDerWaalsContact C-N 3.25Å; D37-C39 PolarHBondContact O-N 3.49Å; D37-C39 WeakPolarHBondContact OD1-CB 3.45Å; D37-C39 PolarHBondContact OD1-N 3.29Å; D37-C39 VanDerWaalsContact OD1-N 3.1Å; D37-H40 HydrophobicContact CB-CB 3.78Å; D37-H40 WeakPolarHBondContact O-CB 3.25Å; D37-H40 PolarHBondContact O-N 3.4Å; D37-H40 VanDerWaalsContact O-N 3.08Å; D37-H40 PolarHBondContact OD1-N 2.99Å; D37-R41 PolarHBondContact O-N 3.47Å
38	Y	62.1	Low	70.9	Confident	99 Å²	99	83.4 Å²	83.4	39%	0.388	42%	0.422	S	S	.	.	H	α-helix	trans	-49.4	-45.9	177.7	175.3	-84.1	0	0	0	112.1	F36 H40 R41 Q42 V529 E532	F36-Y38 PolarHBondContact O-N 2.87Å; Y38-H40 VanDerWaalsContact C-N 3.33Å; Y38-H40 PolarHBondContact O-N 3.45Å; Y38-R41 PolarHBondContact O-N 2.87Å; Y38-Q42 WeakPolarHBondContact O-CB 3.13Å; Y38-Q42 PolarHBondContact O-N 3.3Å; Y38-V529 HydrophobicContact CD2-CG2 4.45Å; Y38-V529 HydrophobicContact CE2-CG2 4.39Å; Y38-E532 VanDerWaalsContact CE2-OE2 3.23Å; Y38-E532 WeakPolarHBondContact CE2-OE2 3.35Å; Y38-E532 PolarHBondContact OH-OE2 2.91Å
39	C	69.1	Low	71.4	Confident	84 Å²	84	82.2 Å²	82.2	57%	0.568	41%	0.407	S	S	*	.	H	α-helix	trans	-69.3	-32.4	-178.3	-64	0	0	0	0	111.9	D37 K43	D37-C39 VanDerWaalsContact C-N 3.25Å; D37-C39 PolarHBondContact O-N 3.49Å; D37-C39 WeakPolarHBondContact OD1-CB 3.45Å; D37-C39 PolarHBondContact OD1-N 3.29Å; D37-C39 VanDerWaalsContact OD1-N 3.1Å; C39-K43 WeakPolarHBondContact O-CB 3.29Å; C39-K43 PolarHBondContact O-N 3.45Å; C39-K43 VanDerWaalsContact O-N 3.15Å
40	H	73.6	Confident	72.3	Confident	97 Å²	97	83.9 Å²	83.9	45%	0.449	41%	0.413	S	S	.	.	H	α-helix	trans	-66	-48.4	172.4	-167	80.4	0	0	0	111.6	D37 Y38 K43 E44	D37-H40 HydrophobicContact CB-CB 3.78Å; D37-H40 WeakPolarHBondContact O-CB 3.25Å; D37-H40 PolarHBondContact O-N 3.4Å; D37-H40 VanDerWaalsContact O-N 3.08Å; D37-H40 PolarHBondContact OD1-N 2.99Å; Y38-H40 VanDerWaalsContact C-N 3.33Å; Y38-H40 PolarHBondContact O-N 3.45Å; H40-K43 PolarHBondContact O-N 2.74Å; H40-E44 PolarHBondContact O-N 3.04Å
41	R	69.6	Low	73.7	Confident	32 Å²	32	87.2 Å²	87.2	12%	0.121	40%	0.404	C	S	.	.	H	α-helix	trans	-64.5	-44	180	-173.3	-178.8	-69.3	-95.9	7.9	112.4	V35 D37 Y38 K43 E44 H45 E526 V529	V35-R41 PolarHBondContact O-NH2 2.86Å; D37-R41 PolarHBondContact O-N 3.47Å; Y38-R41 PolarHBondContact O-N 2.87Å; R41-K43 VanDerWaalsContact C-N 3.28Å; R41-K43 PolarHBondContact O-N 3.43Å; R41-E44 PolarHBondContact O-N 3.26Å; R41-H45 PolarHBondContact O-CD2 3.32Å; R41-H45 PolarHBondContact O-N 2.92Å; R41-H45 VanDerWaalsContact O-N 3.08Å; R41-E526 IonicContact NH1-OE1 3.8Å; R41-V529 HydrophobicContact CG-CG1 4.35Å; R41-V529 HydrophobicContact CG-CG2 4.34Å
42	Q	70.5	Confident	74.8	Confident	90 Å²	90	90.7 Å²	90.7	42%	0.421	42%	0.424	S	S	.	.	H	α-helix	trans	-59.6	-40.9	174.7	-168.3	-179	25.1	0	0	111.2	Y38 H45 E46	Y38-Q42 WeakPolarHBondContact O-CB 3.13Å; Y38-Q42 PolarHBondContact O-N 3.3Å; Q42-H45 PolarHBondContact O-N 3.2Å; Q42-E46 WeakPolarHBondContact O-CB 3.38Å; Q42-E46 PolarHBondContact O-N 2.9Å
43	K	81.1	Confident	76	Confident	140 Å²	140	93.7 Å²	93.7	61%	0.609	43%	0.432	S	S	*	.	H	α-helix	trans	-69	-34.2	176.5	-175.4	174.5	-179	176.4	0	113.3	C39 H40 R41 E46 L47	C39-K43 WeakPolarHBondContact O-CB 3.29Å; C39-K43 PolarHBondContact O-N 3.45Å; C39-K43 VanDerWaalsContact O-N 3.15Å; H40-K43 PolarHBondContact O-N 2.74Å; R41-K43 VanDerWaalsContact C-N 3.28Å; R41-K43 PolarHBondContact O-N 3.43Å; K43-E46 PolarHBondContact O-N 3.3Å; K43-L47 VanDerWaalsContact O-CB 3.29Å; K43-L47 WeakPolarHBondContact O-CB 3.39Å; K43-L47 PolarHBondContact O-N 3.42Å
44	E	80.8	Confident	77.5	Confident	113 Å²	113	91.8 Å²	91.8	53%	0.528	43%	0.431	S	S	.	.	H	α-helix	trans	-64.3	-47.4	173.7	-177	173.9	-150.1	0	0	111.2	H40 R41 E46 L47 Q48	H40-E44 PolarHBondContact O-N 3.04Å; R41-E44 PolarHBondContact O-N 3.26Å; E44-E46 PolarHBondContact O-N 3.11Å; E44-L47 PolarHBondContact O-N 3.09Å; E44-Q48 PolarHBondContact O-N 3.29Å
45	H	76.3	Confident	79	Confident	81 Å²	81	92.5 Å²	92.5	38%	0.375	43%	0.434	S	S	.	.	H	α-helix	trans	-62	-41.4	174.3	-83.5	-108.7	0	0	0	112.2	R41 Q42 Q48 R49	R41-H45 PolarHBondContact O-CD2 3.32Å; R41-H45 PolarHBondContact O-N 2.92Å; R41-H45 VanDerWaalsContact O-N 3.08Å; Q42-H45 PolarHBondContact O-N 3.2Å; H45-Q48 PolarHBondContact O-N 2.89Å; H45-R49 PolarHBondContact O-N 3Å
46	E	84.3	Confident	80.5	Confident	85 Å²	85	96.1 Å²	96.1	40%	0.397	45%	0.448	S	S	.	.	H	α-helix	trans	-62.8	-42	174	170.8	156.4	-117.8	0	0	112.4	Q42 K43 E44 Q48 R49 Q50	Q42-E46 WeakPolarHBondContact O-CB 3.38Å; Q42-E46 PolarHBondContact O-N 2.9Å; K43-E46 PolarHBondContact O-N 3.3Å; E44-E46 PolarHBondContact O-N 3.11Å; E46-Q48 VanDerWaalsContact C-N 3.31Å; E46-Q48 PolarHBondContact O-N 2.88Å; E46-R49 WeakPolarHBondContact O-CB 3.43Å; E46-R49 PolarHBondContact O-N 2.93Å; E46-R49 IonicContact OE1-CZ 3.14Å; E46-R49 IonicContact OE1-NH2 3.78Å; E46-R49 PolarHBondContact OE1-NH2 3.06Å; E46-Q50 WeakPolarHBondContact O-CG 3.43Å; E46-Q50 PolarHBondContact O-N 3.31Å
47	L	88.9	Confident	82.1	Confident	86 Å²	86	99.6 Å²	99.6	45%	0.45	46%	0.463	S	S	.	.	H	α-helix	trans	-66.8	-33.9	177	-169.5	153.6	0	0	0	111.3	K43 E44 Q50 R51	K43-L47 VanDerWaalsContact O-CB 3.29Å; K43-L47 WeakPolarHBondContact O-CB 3.39Å; K43-L47 PolarHBondContact O-N 3.42Å; E44-L47 PolarHBondContact O-N 3.09Å; L47-Q50 PolarHBondContact O-N 3.47Å; L47-R51 HydrophobicContact CD2-CG 4.38Å; L47-R51 WeakPolarHBondContact O-CG 3.45Å; L47-R51 PolarHBondContact O-N 3.34Å
48	Q	84	Confident	83.4	Confident	105 Å²	105	105.7 Å²	105.7	49%	0.491	48%	0.482	S	S	.	.	H	α-helix	trans	-65.1	-44.8	170.2	-174.1	169.2	-11.3	0	0	111.8	E44 H45 E46 Q50 R51 V52	E44-Q48 PolarHBondContact O-N 3.29Å; H45-Q48 PolarHBondContact O-N 2.89Å; E46-Q48 VanDerWaalsContact C-N 3.31Å; E46-Q48 PolarHBondContact O-N 2.88Å; Q48-Q50 VanDerWaalsContact C-N 3.33Å; Q48-Q50 PolarHBondContact O-N 3.46Å; Q48-R51 PolarHBondContact O-N 3.29Å; Q48-V52 WeakPolarHBondContact O-CG2 3.22Å; Q48-V52 PolarHBondContact O-N 3.28Å
49	R	82.9	Confident	84.9	Confident	108 Å²	108	105.1 Å²	105.1	41%	0.408	48%	0.483	S	S	.	.	H	α-helix	trans	-56.9	-44	172.4	175.7	177.6	66.8	-172.9	1.1	112	H45 E46 V52 Q53	H45-R49 PolarHBondContact O-N 3Å; E46-R49 WeakPolarHBondContact O-CB 3.43Å; E46-R49 PolarHBondContact O-N 2.93Å; E46-R49 IonicContact OE1-CZ 3.14Å; E46-R49 IonicContact OE1-NH2 3.78Å; E46-R49 PolarHBondContact OE1-NH2 3.06Å; R49-V52 PolarHBondContact O-N 2.97Å; R49-Q53 WeakPolarHBondContact O-CG 3.39Å; R49-Q53 PolarHBondContact O-N 3.46Å
50	Q	89.9	Confident	86.2	Confident	106 Å²	106	106.4 Å²	106.4	50%	0.495	48%	0.481	S	S	.	.	H	α-helix	trans	-62.6	-44.3	177.3	-72.5	175.6	14.5	0	0	111.9	E46 L47 Q48 Q53 E54	E46-Q50 WeakPolarHBondContact O-CG 3.43Å; E46-Q50 PolarHBondContact O-N 3.31Å; L47-Q50 PolarHBondContact O-N 3.47Å; Q48-Q50 VanDerWaalsContact C-N 3.33Å; Q48-Q50 PolarHBondContact O-N 3.46Å; Q50-Q53 PolarHBondContact O-N 2.93Å; Q50-E54 WeakPolarHBondContact O-CB 3.42Å; Q50-E54 PolarHBondContact O-N 3.49Å
51	R	92.2	Very high	87.2	Confident	139 Å²	139	106.9 Å²	106.9	53%	0.525	49%	0.486	S	S	.	.	H	α-helix	trans	-61.1	-44.1	175.2	-75.3	-175.2	-67.3	168.2	-3	112.7	L47 Q48 Q53 E54 E55	L47-R51 HydrophobicContact CD2-CG 4.38Å; L47-R51 WeakPolarHBondContact O-CG 3.45Å; L47-R51 PolarHBondContact O-N 3.34Å; Q48-R51 PolarHBondContact O-N 3.29Å; R51-Q53 PolarHBondContact O-N 3.38Å; R51-E54 PolarHBondContact O-N 3.14Å; R51-E55 WeakPolarHBondContact O-CB 3.44Å; R51-E55 PolarHBondContact O-N 2.99Å
52	V	91.5	Very high	88.4	Confident	84 Å²	84	109.6 Å²	109.6	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-61.9	-43	176.7	172.6	0	0	0	0	111.1	Q48 R49 E54 E55 E56	Q48-V52 WeakPolarHBondContact O-CG2 3.22Å; Q48-V52 PolarHBondContact O-N 3.28Å; R49-V52 PolarHBondContact O-N 2.97Å; V52-E54 PolarHBondContact O-N 2.92Å; V52-E55 PolarHBondContact O-N 2.75Å; V52-E56 WeakPolarHBondContact O-CB 3.4Å; V52-E56 PolarHBondContact O-N 3.13Å
53	Q	89.3	Confident	89.5	Confident	85 Å²	85	111.4 Å²	111.4	40%	0.397	51%	0.505	S	S	.	.	H	α-helix	trans	-67.7	-31.3	175.8	-71.7	-178.4	4.7	0	0	113.5	R49 Q50 R51 K57	R49-Q53 WeakPolarHBondContact O-CG 3.39Å; R49-Q53 PolarHBondContact O-N 3.46Å; Q50-Q53 PolarHBondContact O-N 2.93Å; R51-Q53 PolarHBondContact O-N 3.38Å; Q53-K57 WeakPolarHBondContact O-CB 3.37Å; Q53-K57 WeakPolarHBondContact O-CD 3.32Å; Q53-K57 WeakPolarHBondContact O-CG 3.26Å; Q53-K57 PolarHBondContact O-N 2.96Å; Q53-K57 VanDerWaalsContact O-N 3.16Å
54	E	91.8	Very high	90.1	Very high	138 Å²	138	110.9 Å²	110.9	65%	0.645	51%	0.505	S	S	*	.	H	α-helix	trans	-70.5	-43.4	174.1	-174.1	178.6	-177.2	0	0	111.1	Q50 R51 V52 K57 R58	Q50-E54 WeakPolarHBondContact O-CB 3.42Å; Q50-E54 PolarHBondContact O-N 3.49Å; R51-E54 PolarHBondContact O-N 3.14Å; V52-E54 PolarHBondContact O-N 2.92Å; E54-K57 PolarHBondContact O-N 3.45Å; E54-R58 WeakPolarHBondContact O-CB 3.36Å; E54-R58 PolarHBondContact O-N 2.84Å
55	E	93.7	Very high	90.7	Very high	119 Å²	119	111.6 Å²	111.6	56%	0.556	51%	0.509	S	S	*	.	H	α-helix	trans	-64.9	-43.2	175.8	-174	169	-170.6	0	0	111.9	R51 V52 K57 R58 Q59	R51-E55 WeakPolarHBondContact O-CB 3.44Å; R51-E55 PolarHBondContact O-N 2.99Å; V52-E55 PolarHBondContact O-N 2.75Å; E55-K57 PolarHBondContact O-N 2.66Å; E55-R58 WeakPolarHBondContact O-CB 3.39Å; E55-R58 PolarHBondContact O-N 2.9Å; E55-Q59 WeakPolarHBondContact O-CG 3.37Å; E55-Q59 PolarHBondContact O-N 3.44Å
56	E	92.1	Very high	91.4	Very high	116 Å²	116	113.5 Å²	113.5	54%	0.542	52%	0.517	S	S	.	.	H	α-helix	trans	-59.6	-46	174.5	-175.5	-179.8	-160.1	0	0	111.7	V52 R58 Q59 Q60	V52-E56 WeakPolarHBondContact O-CB 3.4Å; V52-E56 PolarHBondContact O-N 3.13Å; E56-R58 VanDerWaalsContact C-N 3.32Å; E56-R58 PolarHBondContact O-N 3.44Å; E56-Q59 PolarHBondContact O-N 3.32Å; E56-Q60 WeakPolarHBondContact O-CB 3.34Å; E56-Q60 PolarHBondContact O-N 3.13Å
57	K	95.1	Very high	91.8	Very high	126 Å²	126	116.8 Å²	116.8	55%	0.548	53%	0.531	S	S	.	.	H	α-helix	trans	-61.3	-39.6	174.9	-73.4	163.2	-165.8	160.2	0	111.8	Q53 E54 E55 Q60 L61	Q53-K57 WeakPolarHBondContact O-CB 3.37Å; Q53-K57 WeakPolarHBondContact O-CD 3.32Å; Q53-K57 WeakPolarHBondContact O-CG 3.26Å; Q53-K57 PolarHBondContact O-N 2.96Å; Q53-K57 VanDerWaalsContact O-N 3.16Å; E54-K57 PolarHBondContact O-N 3.45Å; E55-K57 PolarHBondContact O-N 2.66Å; K57-Q60 PolarHBondContact O-N 2.94Å; K57-L61 WeakPolarHBondContact O-CB 3.47Å; K57-L61 PolarHBondContact O-N 3.42Å
58	R	93.9	Very high	91.8	Very high	186 Å²	186	115.1 Å²	115.1	70%	0.702	53%	0.529	S	S	*	.	H	α-helix	trans	-64.7	-43.9	175.8	-176	176.3	178.8	161.7	0	111.6	E54 E55 E56 Q60 L61 L62	E54-R58 WeakPolarHBondContact O-CB 3.36Å; E54-R58 PolarHBondContact O-N 2.84Å; E55-R58 WeakPolarHBondContact O-CB 3.39Å; E55-R58 PolarHBondContact O-N 2.9Å; E56-R58 VanDerWaalsContact C-N 3.32Å; E56-R58 PolarHBondContact O-N 3.44Å; R58-Q60 VanDerWaalsContact C-N 3.34Å; R58-L61 PolarHBondContact O-N 3.38Å; R58-L62 WeakPolarHBondContact O-CG 3.48Å; R58-L62 PolarHBondContact O-N 3.31Å
59	Q	93.7	Very high	92	Very high	88 Å²	88	115 Å²	115	41%	0.411	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-37.9	173.8	-67.6	-178.6	21.6	0	0	112.1	E55 E56 L62 R63	E55-Q59 WeakPolarHBondContact O-CG 3.37Å; E55-Q59 PolarHBondContact O-N 3.44Å; E56-Q59 PolarHBondContact O-N 3.32Å; Q59-L62 PolarHBondContact O-N 2.94Å; Q59-R63 WeakPolarHBondContact O-CG 3.49Å; Q59-R63 PolarHBondContact O-N 2.76Å
60	Q	94.5	Very high	92.1	Very high	110 Å²	110	114.2 Å²	114.2	51%	0.514	53%	0.534	S	S	.	.	H	α-helix	trans	-63.7	-44.5	175.9	-176.1	175.8	-0.6	0	0	111.6	E56 K57 R58 L62 R63 E64	E56-Q60 WeakPolarHBondContact O-CB 3.34Å; E56-Q60 PolarHBondContact O-N 3.13Å; K57-Q60 PolarHBondContact O-N 2.94Å; R58-Q60 VanDerWaalsContact C-N 3.34Å; Q60-L62 VanDerWaalsContact C-N 3.35Å; Q60-L62 PolarHBondContact O-N 2.88Å; Q60-R63 PolarHBondContact O-N 2.95Å; Q60-E64 WeakPolarHBondContact O-CB 3.42Å; Q60-E64 PolarHBondContact O-N 2.83Å
61	L	95.8	Very high	91.9	Very high	107 Å²	107	112.2 Å²	112.2	56%	0.56	54%	0.536	S	S	*	.	H	α-helix	trans	-63	-39.5	176.1	-176	151.5	0	0	0	112	K57 R58 E64 Q65	K57-L61 WeakPolarHBondContact O-CB 3.47Å; K57-L61 PolarHBondContact O-N 3.42Å; R58-L61 PolarHBondContact O-N 3.38Å; L61-E64 PolarHBondContact O-N 3.28Å; L61-Q65 WeakPolarHBondContact O-CB 3.49Å; L61-Q65 PolarHBondContact O-N 3Å
62	L	94.9	Very high	91.6	Very high	89 Å²	89	111.8 Å²	111.8	47%	0.466	54%	0.54	S	S	.	.	H	α-helix	trans	-63.5	-46.3	174.2	-72.1	169.2	0	0	0	111.7	R58 Q59 Q60 E64 Q65 E66	R58-L62 WeakPolarHBondContact O-CG 3.48Å; R58-L62 PolarHBondContact O-N 3.31Å; Q59-L62 PolarHBondContact O-N 2.94Å; Q60-L62 VanDerWaalsContact C-N 3.35Å; Q60-L62 PolarHBondContact O-N 2.88Å; L62-E64 VanDerWaalsContact C-N 3.28Å; L62-E64 PolarHBondContact O-N 3.14Å; L62-Q65 PolarHBondContact O-N 3.29Å; L62-E66 WeakPolarHBondContact O-CB 3.27Å; L62-E66 PolarHBondContact O-N 3.2Å
63	R	93.3	Very high	91.3	Very high	128 Å²	128	110.2 Å²	110.2	48%	0.483	53%	0.529	S	S	.	.	H	α-helix	trans	-62.8	-32.7	174.6	-72.3	-175.9	-118.9	113.2	-4.1	112.7	Q59 Q60 K67	Q59-R63 WeakPolarHBondContact O-CG 3.49Å; Q59-R63 PolarHBondContact O-N 2.76Å; Q60-R63 PolarHBondContact O-N 2.95Å; R63-K67 WeakPolarHBondContact O-CB 3.48Å; R63-K67 PolarHBondContact O-N 3.3Å
64	E	93.3	Very high	91	Very high	130 Å²	130	111.6 Å²	111.6	61%	0.607	54%	0.535	S	S	*	.	H	α-helix	trans	-71.7	-41.4	174.9	-174.1	167.1	-165.7	0	0	111.9	Q60 L61 L62 K67 A68	Q60-E64 WeakPolarHBondContact O-CB 3.42Å; Q60-E64 PolarHBondContact O-N 2.83Å; L61-E64 PolarHBondContact O-N 3.28Å; L62-E64 VanDerWaalsContact C-N 3.28Å; L62-E64 PolarHBondContact O-N 3.14Å; E64-K67 PolarHBondContact O-N 3.39Å; E64-A68 VanDerWaalsContact O-CB 3.25Å; E64-A68 WeakPolarHBondContact O-CB 3.24Å; E64-A68 PolarHBondContact O-N 3.06Å
65	Q	93.4	Very high	90.3	Very high	128 Å²	128	109.2 Å²	109.2	60%	0.598	53%	0.527	S	S	*	.	H	α-helix	trans	-62.9	-47	173.7	180	178.1	88.9	0	0	111.9	L61 L62 A68 L69	L61-Q65 WeakPolarHBondContact O-CB 3.49Å; L61-Q65 PolarHBondContact O-N 3Å; L62-Q65 PolarHBondContact O-N 3.29Å; Q65-A68 PolarHBondContact O-N 3.1Å; Q65-L69 PolarHBondContact O-N 3.19Å
66	E	91	Very high	89.7	Confident	120 Å²	120	106 Å²	106	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-57.6	-49.7	174.6	179.6	-177.8	-156.9	0	0	111	L62 A68 L69 L70	L62-E66 WeakPolarHBondContact O-CB 3.27Å; L62-E66 PolarHBondContact O-N 3.2Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-A68 PolarHBondContact O-N 2.83Å; E66-L69 PolarHBondContact O-N 3.3Å; E66-L70 HydrophobicContact CG-CD1 4.08Å; E66-L70 WeakPolarHBondContact O-CG 3.45Å; E66-L70 PolarHBondContact O-N 3.48Å
67	K	92.1	Very high	89.2	Confident	155 Å²	155	109.7 Å²	109.7	67%	0.674	53%	0.53	S	S	*	.	H	α-helix	trans	-61.6	-37.6	176.4	-176.7	-179.9	178.9	-176.8	0	112.7	R63 E64 A71	R63-K67 WeakPolarHBondContact O-CB 3.48Å; R63-K67 PolarHBondContact O-N 3.3Å; E64-K67 PolarHBondContact O-N 3.39Å; K67-A71 VanDerWaalsContact O-CB 3.23Å; K67-A71 WeakPolarHBondContact O-CB 3.47Å; K67-A71 PolarHBondContact O-N 3.03Å
68	A	89.3	Confident	88.3	Confident	50 Å²	50	112.5 Å²	112.5	41%	0.413	55%	0.545	S	S	.	.	H	α-helix	trans	-70.1	-32.9	177.3	0	0	0	0	0	112.4	E64 Q65 E66 Q72	E64-A68 VanDerWaalsContact O-CB 3.25Å; E64-A68 WeakPolarHBondContact O-CB 3.24Å; E64-A68 PolarHBondContact O-N 3.06Å; Q65-A68 PolarHBondContact O-N 3.1Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-A68 PolarHBondContact O-N 2.83Å; A68-Q72 WeakPolarHBondContact O-CG 3.35Å; A68-Q72 PolarHBondContact O-NE2 3.08Å
69	L	88.4	Confident	87.4	Confident	103 Å²	103	108.1 Å²	108.1	54%	0.539	54%	0.54	S	S	.	.	H	α-helix	trans	-69.4	-49.3	171.7	-174.1	154.9	0	0	0	110.6	Q65 E66 A71 Q72 L73	Q65-L69 PolarHBondContact O-N 3.19Å; E66-L69 PolarHBondContact O-N 3.3Å; L69-A71 VanDerWaalsContact C-N 3.28Å; L69-A71 PolarHBondContact O-N 3.1Å; L69-Q72 WeakPolarHBondContact O-CB 3.49Å; L69-Q72 PolarHBondContact O-N 3.26Å; L69-L73 HydrophobicContact CD2-CD1 3.86Å; L69-L73 PolarHBondContact O-N 3.46Å
70	L	85.8	Confident	86.7	Confident	91 Å²	91	106.3 Å²	106.3	48%	0.476	54%	0.544	S	S	.	.	H	α-helix	trans	-60.2	-35.7	176.6	-70	171.1	0	0	0	112.5	E66 Q72 L73	E66-L70 HydrophobicContact CG-CD1 4.08Å; E66-L70 WeakPolarHBondContact O-CG 3.45Å; E66-L70 PolarHBondContact O-N 3.48Å; L70-Q72 PolarHBondContact O-N 3.01Å; L70-L73 HydrophobicContact CD2-CD1 4.47Å; L70-L73 PolarHBondContact O-N 2.92Å; L70-L73 VanDerWaalsContact O-N 3.08Å
71	A	85.9	Confident	86.2	Confident	65 Å²	65	107.1 Å²	107.1	54%	0.537	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-13	176.1	0	0	0	0	0	114.6	K67 L69	K67-A71 VanDerWaalsContact O-CB 3.23Å; K67-A71 WeakPolarHBondContact O-CB 3.47Å; K67-A71 PolarHBondContact O-N 3.03Å; L69-A71 VanDerWaalsContact C-N 3.28Å; L69-A71 PolarHBondContact O-N 3.1Å
72	Q	84.1	Confident	85.4	Confident	130 Å²	130	108.4 Å²	108.4	61%	0.607	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-5.5	170.9	-71.1	169.2	85.5	0	0	112.6	A68 L69 L70 R85	A68-Q72 WeakPolarHBondContact O-CG 3.35Å; A68-Q72 PolarHBondContact O-NE2 3.08Å; L69-Q72 WeakPolarHBondContact O-CB 3.49Å; L69-Q72 PolarHBondContact O-N 3.26Å; L70-Q72 PolarHBondContact O-N 3.01Å; Q72-R85 VanDerWaalsContact O-CB 3.25Å; Q72-R85 WeakPolarHBondContact O-CB 3.16Å; Q72-R85 PolarHBondContact O-N 3.34Å
73	L	85.1	Confident	84.7	Confident	50 Å²	50	107.3 Å²	107.3	26%	0.262	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	150.4	173.2	-62.6	169.6	0	0	0	109.8	L69 L70 F82 P84	L69-L73 HydrophobicContact CD2-CD1 3.86Å; L69-L73 PolarHBondContact O-N 3.46Å; L70-L73 HydrophobicContact CD2-CD1 4.47Å; L70-L73 PolarHBondContact O-N 2.92Å; L70-L73 VanDerWaalsContact O-N 3.08Å; L73-F82 HydrophobicContact CB-CB 4.25Å; L73-F82 HydrophobicContact CB-CD1 4.19Å; L73-F82 HydrophobicContact CD1-CB 4.15Å; L73-F82 HydrophobicContact CD2-CB 4.47Å; L73-P84 HydrophobicContact CD2-CG 4.4Å
74	Q	83	Confident	84	Confident	114 Å²	114	105.7 Å²	105.7	53%	0.533	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.3	132.6	169.8	176.9	168.6	-24.1	0	0	107.5	D76 V83 R85	Q74-D76 PolarHBondContact O-N 3.17Å; Q74-V83 PolarHBondContact N-O 3.45Å; Q74-V83 PolarHBondContact O-N 2.81Å; Q74-R85 HydrophobicContact CB-CB 4.46Å; Q74-R85 HydrophobicContact CB-CG 4.41Å
75	L	78.3	Confident	83.1	Confident	89 Å²	89	107.4 Å²	107.4	47%	0.466	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.8	126	170.2	-166.9	78.6	0	0	0	108.1	G80 F82	L75-G80 WeakPolarHBondContact CD1-O 3.45Å; L75-F82 HydrophobicContact CB-CE1 4.38Å; L75-F82 HydrophobicContact CD1-CD1 4.17Å; L75-F82 HydrophobicContact CD1-CD2 4.17Å; L75-F82 HydrophobicContact CD1-CE1 3.92Å; L75-F82 HydrophobicContact CD1-CE2 3.91Å; L75-F82 HydrophobicContact CD1-CG 4.3Å; L75-F82 HydrophobicContact CD1-CZ 3.78Å
76	D	80.9	Confident	81.8	Confident	52 Å²	52	109.1 Å²	109.1	28%	0.278	57%	0.566	S	S	.	*			trans	-77.5	127.4	167.6	176.7	29.3	0	0	0	109.7	Q74 E78 T79 G80 E81 V83	Q74-D76 PolarHBondContact O-N 3.17Å; D76-E78 VanDerWaalsContact C-N 3.33Å; D76-E78 PolarHBondContact OD1-N 2.98Å; D76-E78 VanDerWaalsContact OD1-N 3.16Å; D76-T79 WeakPolarHBondContact OD2-CB 3.39Å; D76-T79 PolarHBondContact OD2-N 2.93Å; D76-T79 PolarHBondContact OD2-OG1 2.86Å; D76-G80 WeakPolarHBondContact O-CA 3.22Å; D76-G80 PolarHBondContact O-N 2.85Å; D76-E81 PolarHBondContact N-O 2.8Å; D76-V83 HydrophobicContact CB-CG2 4.11Å
77	E	82.4	Confident	80.1	Confident	192 Å²	192	107.3 Å²	107.3	90%	0.897	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-15.7	-178.7	-63.5	-176.9	171.9	0	0	112.5
78	E	75.9	Confident	78	Confident	186 Å²	186	106.3 Å²	106.3	87%	0.869	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-42.6	178	-167.3	167.6	-177	0	0	112.5	D76	D76-E78 VanDerWaalsContact C-N 3.33Å; D76-E78 PolarHBondContact OD1-N 2.98Å; D76-E78 VanDerWaalsContact OD1-N 3.16Å
79	T	74.3	Confident	76.1	Confident	94 Å²	94	110 Å²	110	58%	0.577	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-21.3	-179.4	-36.5	0	0	0	0	113.7	D76 E81	D76-T79 WeakPolarHBondContact OD2-CB 3.39Å; D76-T79 PolarHBondContact OD2-N 2.93Å; D76-T79 PolarHBondContact OD2-OG1 2.86Å; T79-E81 VanDerWaalsContact C-N 3.3Å; T79-E81 HydrophobicContact CG2-CG 3.96Å
80	G	78.9	Confident	74	Confident	50 Å²	50	108 Å²	108	52%	0.515	61%	0.608	S	S	.	*			trans	78	7.9	-175.3	0	0	0	0	0	115.1	L75 D76	L75-G80 WeakPolarHBondContact CD1-O 3.45Å; D76-G80 WeakPolarHBondContact O-CA 3.22Å; D76-G80 PolarHBondContact O-N 2.85Å
81	E	84.3	Confident	71.8	Confident	127 Å²	127	113.3 Å²	113.3	59%	0.593	63%	0.63	S	S	*	*			trans	-92.4	155.1	-177.5	-65.2	-171.3	167.4	0	0	112.5	D76 T79 V83	D76-E81 PolarHBondContact N-O 2.8Å; T79-E81 VanDerWaalsContact C-N 3.3Å; T79-E81 HydrophobicContact CG2-CG 3.96Å; E81-V83 PolarHBondContact O-N 2.99Å
82	F	78.1	Confident	69.3	Low	133 Å²	133	115.1 Å²	115.1	58%	0.583	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.4	100.6	174.7	-75	-82.4	0	0	0	110.8	L73 L75	L73-F82 HydrophobicContact CB-CB 4.25Å; L73-F82 HydrophobicContact CB-CD1 4.19Å; L73-F82 HydrophobicContact CD1-CB 4.15Å; L73-F82 HydrophobicContact CD2-CB 4.47Å; L75-F82 HydrophobicContact CB-CE1 4.38Å; L75-F82 HydrophobicContact CD1-CD1 4.17Å; L75-F82 HydrophobicContact CD1-CD2 4.17Å; L75-F82 HydrophobicContact CD1-CE1 3.92Å; L75-F82 HydrophobicContact CD1-CE2 3.91Å; L75-F82 HydrophobicContact CD1-CG 4.3Å; L75-F82 HydrophobicContact CD1-CZ 3.78Å
83	V	80	Confident	67.2	Low	67 Å²	67	115 Å²	115	41%	0.406	65%	0.65	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.9	139.3	-176.5	-175	0	0	0	0	110.7	Q74 D76 E81 R85	Q74-V83 PolarHBondContact N-O 3.45Å; Q74-V83 PolarHBondContact O-N 2.81Å; D76-V83 HydrophobicContact CB-CG2 4.11Å; E81-V83 PolarHBondContact O-N 2.99Å; V83-R85 PolarHBondContact O-N 2.71Å
84	P	80.2	Confident	64.9	Low	93 Å²	93	121.2 Å²	121.2	60%	0.604	68%	0.677	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-56.8	128.8	173.3	-27.2	36.2	0	0	0	112.9	L73 L86	L73-P84 HydrophobicContact CD2-CG 4.4Å; P84-L86 PolarHBondContact O-N 3.4Å
85	R	72.9	Confident	62.7	Low	166 Å²	166	121.2 Å²	121.2	63%	0.626	69%	0.689	S	S	*	*			trans	-73.6	94	-170.9	-167.6	179.4	-171	-157	1.7	111.9	Q72 Q74 V83 A87	Q72-R85 VanDerWaalsContact O-CB 3.25Å; Q72-R85 WeakPolarHBondContact O-CB 3.16Å; Q72-R85 PolarHBondContact O-N 3.34Å; Q74-R85 HydrophobicContact CB-CB 4.46Å; Q74-R85 HydrophobicContact CB-CG 4.41Å; V83-R85 PolarHBondContact O-N 2.71Å; R85-A87 PolarHBondContact O-N 2.71Å
86	L	67.3	Low	60.5	Low	165 Å²	165	121 Å²	121	86%	0.864	70%	0.701	S	S	*	*			trans	-57.5	128.7	176.3	-70.6	169.5	0	0	0	111.5	P84	P84-L86 PolarHBondContact O-N 3.4Å
87	A	54.3	Low	58	Low	82 Å²	82	124.5 Å²	124.5	68%	0.678	72%	0.724	S	S	*	*			trans	-68.1	144.1	176.6	0	0	0	0	0	111.2	R85 S89	R85-A87 PolarHBondContact O-N 2.71Å; A87-S89 PolarHBondContact O-N 3.18Å
88	P	49.5	Very low	55.5	Low	134 Å²	134	121.6 Å²	121.6	87%	0.87	72%	0.72	S	S	*	*			trans	-70.1	94	-175	27.9	-35.2	0	0	0	112.2	G90	P88-G90 PolarHBondContact O-N 2.97Å
89	S	47.9	Very low	53.4	Low	126 Å²	126	117.7 Å²	117.7	88%	0.881	72%	0.719	S	S	*	*			trans	-77.3	85.7	175.5	60.9	0	0	0	0	111.5	A87	A87-S89 PolarHBondContact O-N 3.18Å
90	G	45.4	Very low	51.4	Low	62 Å²	62	117.9 Å²	117.9	64%	0.639	73%	0.73	S	S	*	*			trans	178.9	94.8	173.2	0	0	0	0	0	117.1	P88	P88-G90 PolarHBondContact O-N 2.97Å
91	Q	38	Very low	49.8	Very low	203 Å²	203	120.7 Å²	120.7	95%	0.949	74%	0.74	S	S	*	*				-178.3	162.3	109.4	-95	171.4	41	0	0	111.1
92	S	33.5	Very low	47.5	Very low	103 Å²	103	120.7 Å²	120.7	72%	0.72	75%	0.751	S	S	*	*			trans	-105.8	148.2	-169.3	54.4	0	0	0	0	113.6
93	P	40.6	Very low	45.5	Very low	128 Å²	128	122.8 Å²	122.8	83%	0.831	76%	0.762	S	S	*	*			trans	-108.4	107.2	160.7	33.1	-23.6	0	0	0	111.7
94	Q	36.8	Very low	43.2	Very low	180 Å²	180	125.5 Å²	125.5	84%	0.841	78%	0.779	S	S	*	*			trans	-93.7	139.5	152.3	-59.3	-178	10.6	0	0	106.6
95	S	36.9	Very low	40.8	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	78%	0.784	S	S	*	*			cis	-143.8	172	-2.9	-45.3	0	0	0	0	106.6
96	A	32.7	Very low	39.4	Very low	86 Å²	86	127.7 Å²	127.7	71%	0.711	80%	0.796	S	S	*	*			cis	-154.2	-178.3	9.1	0	0	0	0	0	107.2
97	T	29	Very low	37.6	Very low	124 Å²	124	126.9 Å²	126.9	76%	0.761	79%	0.793	S	S	*	*			cis	-158.4	159.2	18.8	-28.5	0	0	0	0	110.2
98	T	29.8	Very low	36.7	Very low	131 Å²	131	128.8 Å²	128.8	80%	0.804	80%	0.796	S	S	*	*			trans	67.3	88.3	154.7	-40	0	0	0	0	119.5
99	A	30.9	Very low	35.6	Very low	104 Å²	104	127.6 Å²	127.6	86%	0.86	79%	0.791	S	S	*	*				-178.1	141	119.4	0	0	0	0	0	110.6
100	A	33	Very low	35	Very low	98 Å²	98	129.7 Å²	129.7	81%	0.81	78%	0.784	S	S	*	*			trans	-115.3	160.7	178.5	0	0	0	0	0	111
101	P	44.4	Very low	34.5	Very low	110 Å²	110	133.1 Å²	133.1	71%	0.714	79%	0.793	S	S	*	*			trans	-105.8	174.4	-151.1	40.8	-37.8	0	0	0	114.7
102	P	36.8	Very low	34.9	Very low	127 Å²	127	131.3 Å²	131.3	83%	0.825	79%	0.785	S	S	*	*			trans	-94	141.9	144.7	34.9	-27.6	0	0	0	111.4
103	Q	35.5	Very low	35.2	Very low	176 Å²	176	134.6 Å²	134.6	82%	0.822	79%	0.794	S	S	*	*			trans	-97.6	172.6	162.4	-70.6	-173.5	-14.7	0	0	110.4
104	V	32	Very low	35.1	Very low	125 Å²	125	132.2 Å²	132.2	76%	0.758	79%	0.792	S	S	*	*			trans	71	103.3	162.6	-167.5	0	0	0	0	116.2
105	T	29.4	Very low	35.9	Very low	117 Å²	117	130.7 Å²	130.7	72%	0.718	79%	0.79	S	S	*	*				-155.7	138.2	96.3	30.1	0	0	0	0	110.5
106	Q	43.2	Very low	36.9	Very low	188 Å²	188	130 Å²	130	88%	0.879	79%	0.791	S	S	*	*			trans	-68.3	135.3	154.1	-68.2	169.7	-37.6	0	0	108
107	N	29.2	Very low	38.2	Very low	147 Å²	147	130.7 Å²	130.7	79%	0.786	78%	0.781	S	S	*	*			trans	-159.8	104.6	155.9	-96.3	-37.6	0	0	0	108.4	S109	N107-S109 PolarHBondContact O-N 3Å
108	V	35.1	Very low	40.3	Very low	123 Å²	123	127.6 Å²	127.6	75%	0.745	77%	0.765	S	S	*	*			trans	-85.4	103.2	169.2	-179.8	0	0	0	0	107	F110	V108-F110 HydrophobicContact CG1-CD2 3.72Å; V108-F110 HydrophobicContact CG1-CE2 3.62Å; V108-F110 HydrophobicContact CG1-CZ 4.44Å; V108-F110 PolarHBondContact O-N 2.62Å
109	S	28.5	Very low	42.2	Very low	109 Å²	109	129 Å²	129	76%	0.762	76%	0.76	S	S	*	*			trans	-88.6	98	167.3	56.7	0	0	0	0	109	N107	N107-S109 PolarHBondContact O-N 3Å
110	F	33.5	Very low	44.4	Very low	169 Å²	169	130 Å²	130	74%	0.741	75%	0.751	S	S	*	*			trans	-65.1	131.9	160.6	-78.3	-92.8	0	0	0	109.1	V108	V108-F110 HydrophobicContact CG1-CD2 3.72Å; V108-F110 HydrophobicContact CG1-CE2 3.62Å; V108-F110 HydrophobicContact CG1-CZ 4.44Å; V108-F110 PolarHBondContact O-N 2.62Å
111	T	34.8	Very low	46.6	Very low	135 Å²	135	129.2 Å²	129.2	83%	0.828	73%	0.73	S	S	*	*			trans	-127.5	118.2	148.7	48.8	0	0	0	0	105.5
112	E	47.9	Very low	48.2	Very low	165 Å²	165	127.1 Å²	127.1	77%	0.771	72%	0.718	S	S	*	*			trans	-75.2	-177	-176.9	-68.6	158.1	114	0	0	111.8
113	D	39.7	Very low	50.1	Low	172 Å²	172	125.5 Å²	125.5	92%	0.92	70%	0.7	S	S	*	*			trans	85.1	110.9	179.1	-54.5	-23	0	0	0	116.3
114	G	38.3	Very low	52	Low	77 Å²	77	122.3 Å²	122.3	79%	0.794	69%	0.685	S	S	*	*	S	Bend	trans	168.8	14.1	-179	0	0	0	0	0	118.3
115	D	52.7	Low	54.2	Low	148 Å²	148	120.4 Å²	120.4	79%	0.791	67%	0.67	S	S	*	*			trans	55.1	60.4	163.6	-144.9	34.3	0	0	0	117.3
116	A	59.3	Low	56.2	Low	99 Å²	99	119.1 Å²	119.1	82%	0.818	66%	0.658	S	S	*	*			trans	-90.2	101.1	162.4	0	0	0	0	0	109.4	S118	A116-S118 PolarHBondContact O-N 3.23Å
117	M	59.3	Low	57.5	Low	100 Å²	100	112.9 Å²	112.9	49%	0.493	64%	0.639	S	S	.	*			trans	-39.8	125.1	176.7	-62.1	-67.6	-71.4	0	0	111.2	E121 L125	M117-E121 VanDerWaalsContact CE-CD 3.47Å; M117-E121 HydrophobicContact CE-CG 3.66Å; M117-L125 HydrophobicContact CE-CD1 3.66Å
118	S	74.1	Confident	59.4	Low	60 Å²	60	112 Å²	112	42%	0.42	63%	0.63	S	S	.	*			trans	-71.4	157.5	-173	70.1	0	0	0	0	112	A116 D120 E121 C122	A116-S118 PolarHBondContact O-N 3.23Å; S118-D120 VanDerWaalsContact C-N 3.29Å; S118-D120 PolarHBondContact O-N 2.96Å; S118-E121 PolarHBondContact N-OE2 3.39Å; S118-E121 WeakPolarHBondContact O-CB 3.4Å; S118-E121 PolarHBondContact O-N 3.37Å; S118-E121 VanDerWaalsContact O-N 3.12Å; S118-E121 WeakPolarHBondContact OG-CB 3.4Å; S118-E121 PolarHBondContact OG-N 3.49Å; S118-C122 PolarHBondContact O-N 2.91Å
119	F	68.9	Low	61	Low	159 Å²	159	110.4 Å²	110.4	70%	0.697	62%	0.621	S	S	*	*	H	α-helix	trans	-59.2	-41.9	178.7	177.4	-96.3	0	0	0	111.9	E121 C122 M123	F119-E121 VanDerWaalsContact C-N 3.31Å; F119-E121 PolarHBondContact O-N 2.85Å; F119-C122 WeakPolarHBondContact O-CB 3.21Å; F119-C122 PolarHBondContact O-N 3.47Å; F119-M123 HydrophobicContact CD1-CG 4.29Å; F119-M123 HydrophobicContact CE1-CG 3.8Å; F119-M123 HydrophobicContact CE2-CG 4.45Å; F119-M123 HydrophobicContact CZ-CG 3.89Å; F119-M123 HydrophobicContact CZ-SD 4.27Å; F119-M123 WeakPolarHBondContact O-CG 3.45Å; F119-M123 PolarHBondContact O-N 2.89Å
120	D	76.5	Confident	62.1	Low	126 Å²	126	112.7 Å²	112.7	67%	0.674	62%	0.618	S	S	*	*	H	α-helix	trans	-66.5	-32.8	177	-68.1	-25.1	0	0	0	112	S118 M123 Q124	S118-D120 VanDerWaalsContact C-N 3.29Å; S118-D120 PolarHBondContact O-N 2.96Å; D120-M123 PolarHBondContact O-N 3.29Å; D120-Q124 VanDerWaalsContact O-CB 3.26Å; D120-Q124 WeakPolarHBondContact O-CB 3.13Å; D120-Q124 PolarHBondContact O-N 3.08Å
121	E	78.8	Confident	63.2	Low	82 Å²	82	109 Å²	109	38%	0.383	61%	0.61	S	S	.	*	H	α-helix	trans	-73.2	-36.1	176	-175.7	177.5	-155.9	0	0	112.5	M117 S118 F119 Q124 L125	M117-E121 VanDerWaalsContact CE-CD 3.47Å; M117-E121 HydrophobicContact CE-CG 3.66Å; S118-E121 PolarHBondContact N-OE2 3.39Å; S118-E121 WeakPolarHBondContact O-CB 3.4Å; S118-E121 PolarHBondContact O-N 3.37Å; S118-E121 VanDerWaalsContact O-N 3.12Å; S118-E121 WeakPolarHBondContact OG-CB 3.4Å; S118-E121 PolarHBondContact OG-N 3.49Å; F119-E121 VanDerWaalsContact C-N 3.31Å; F119-E121 PolarHBondContact O-N 2.85Å; E121-Q124 PolarHBondContact O-N 3.21Å; E121-L125 WeakPolarHBondContact O-CB 3.36Å; E121-L125 WeakPolarHBondContact O-CG 3.46Å; E121-L125 PolarHBondContact O-N 2.98Å
122	C	77.9	Confident	63.6	Low	66 Å²	66	109.9 Å²	109.9	45%	0.446	61%	0.609	S	S	.	*	H	α-helix	trans	-62.4	-43.5	168.3	-173.4	0	0	0	0	111.2	S118 F119 L125 L126	S118-C122 PolarHBondContact O-N 2.91Å; F119-C122 WeakPolarHBondContact O-CB 3.21Å; F119-C122 PolarHBondContact O-N 3.47Å; C122-L125 PolarHBondContact O-N 3.23Å; C122-L126 WeakPolarHBondContact O-CG 3.5Å; C122-L126 PolarHBondContact O-N 2.58Å
123	M	77.9	Confident	63.6	Low	92 Å²	92	108.7 Å²	108.7	45%	0.453	61%	0.613	S	S	.	*	H	α-helix	trans	-66.8	-37.1	174.6	-73.6	-55.5	-46.4	0	0	112.9	F119 D120 L126 A127	F119-M123 HydrophobicContact CD1-CG 4.29Å; F119-M123 HydrophobicContact CE1-CG 3.8Å; F119-M123 HydrophobicContact CE2-CG 4.45Å; F119-M123 HydrophobicContact CZ-CG 3.89Å; F119-M123 HydrophobicContact CZ-SD 4.27Å; F119-M123 WeakPolarHBondContact O-CG 3.45Å; F119-M123 PolarHBondContact O-N 2.89Å; D120-M123 PolarHBondContact O-N 3.29Å; M123-L126 PolarHBondContact O-N 2.86Å; M123-L126 HydrophobicContact SD-CD1 4.14Å; M123-A127 PolarHBondContact O-N 2.78Å
124	Q	75.9	Confident	63.5	Low	110 Å²	110	107.9 Å²	107.9	51%	0.514	60%	0.604	S	S	.	*	H	α-helix	trans	-64.3	-44.5	174.9	-173.6	69	24.4	0	0	110.8	D120 E121 L126 A127 E128	D120-Q124 VanDerWaalsContact O-CB 3.26Å; D120-Q124 WeakPolarHBondContact O-CB 3.13Å; D120-Q124 PolarHBondContact O-N 3.08Å; E121-Q124 PolarHBondContact O-N 3.21Å; Q124-L126 VanDerWaalsContact C-N 3.34Å; Q124-L126 PolarHBondContact O-N 3.45Å; Q124-A127 PolarHBondContact O-N 3.41Å; Q124-A127 VanDerWaalsContact O-N 3.16Å; Q124-E128 PolarHBondContact O-N 2.85Å
125	L	78.4	Confident	63.8	Low	85 Å²	85	109 Å²	109	45%	0.445	61%	0.605	S	S	.	*	H	α-helix	trans	-60.9	-39.7	174.2	-81.5	165.6	0	0	0	112.4	M117 E121 C122 E128 T129	M117-L125 HydrophobicContact CE-CD1 3.66Å; E121-L125 WeakPolarHBondContact O-CB 3.36Å; E121-L125 WeakPolarHBondContact O-CG 3.46Å; E121-L125 PolarHBondContact O-N 2.98Å; C122-L125 PolarHBondContact O-N 3.23Å; L125-E128 PolarHBondContact O-N 3.39Å; L125-T129 VanDerWaalsContact O-CB 3.25Å; L125-T129 WeakPolarHBondContact O-CB 3.39Å; L125-T129 PolarHBondContact O-N 3.03Å; L125-T129 PolarHBondContact O-OG1 2.91Å
126	L	71.3	Confident	62.8	Low	89 Å²	89	108.5 Å²	108.5	47%	0.466	61%	0.608	S	S	.	*	H	α-helix	trans	-64.8	-38.7	174	-72.7	169.4	0	0	0	112	C122 M123 Q124 F130	C122-L126 WeakPolarHBondContact O-CG 3.5Å; C122-L126 PolarHBondContact O-N 2.58Å; M123-L126 PolarHBondContact O-N 2.86Å; M123-L126 HydrophobicContact SD-CD1 4.14Å; Q124-L126 VanDerWaalsContact C-N 3.34Å; Q124-L126 PolarHBondContact O-N 3.45Å; L126-F130 PolarHBondContact O-N 3.16Å; L126-F130 VanDerWaalsContact O-N 3.15Å
127	A	69.2	Low	61.7	Low	57 Å²	57	108 Å²	108	47%	0.471	60%	0.604	S	S	.	*	H	α-helix	trans	-69.4	-37.6	176.2	0	0	0	0	0	113.1	M123 Q124 F130	M123-A127 PolarHBondContact O-N 2.78Å; Q124-A127 PolarHBondContact O-N 3.41Å; Q124-A127 VanDerWaalsContact O-N 3.16Å; A127-F130 CarbonylContact O-C 3.56Å
128	E	70	Confident	60.3	Low	128 Å²	128	109.7 Å²	109.7	60%	0.598	62%	0.62	S	S	*	*	H	α-helix	trans	-74.9	-30.2	175	-71.4	-171.5	171.5	0	0	112.9	Q124 L125 F130 P131	Q124-E128 PolarHBondContact O-N 2.85Å; L125-E128 PolarHBondContact O-N 3.39Å; E128-F130 VanDerWaalsContact C-N 3.35Å; E128-P131 WeakPolarHBondContact O-CD 3.17Å; E128-P131 WeakPolarHBondContact O-CG 3.4Å
129	T	67.2	Low	58.2	Low	91 Å²	91	111.7 Å²	111.7	56%	0.558	64%	0.64	S	S	*	*	H	α-helix	trans	-73.4	-27.8	175.9	-56	0	0	0	0	112	L125	L125-T129 VanDerWaalsContact O-CB 3.25Å; L125-T129 WeakPolarHBondContact O-CB 3.39Å; L125-T129 PolarHBondContact O-N 3.03Å; L125-T129 PolarHBondContact O-OG1 2.91Å
130	F	53.1	Low	56.3	Low	157 Å²	157	109.3 Å²	109.3	69%	0.689	64%	0.643	S	S	*	*	S	Bend	trans	-128.3	72	176.2	-61.2	-78.8	0	0	0	112.5	L126 A127 E128 L132	L126-F130 PolarHBondContact O-N 3.16Å; L126-F130 VanDerWaalsContact O-N 3.15Å; A127-F130 CarbonylContact O-C 3.56Å; E128-F130 VanDerWaalsContact C-N 3.35Å; F130-L132 PolarHBondContact O-N 3.25Å
131	P	56.7	Low	54.1	Low	90 Å²	90	109.4 Å²	109.4	58%	0.584	65%	0.648	S	S	*	*			trans	-64.7	109.3	-178.6	-21.2	34.4	0	0	0	111.9	E128 V133	E128-P131 WeakPolarHBondContact O-CD 3.17Å; E128-P131 WeakPolarHBondContact O-CG 3.4Å; P131-V133 PolarHBondContact O-N 3.39Å
132	L	42.9	Very low	51.6	Low	155 Å²	155	110.4 Å²	110.4	81%	0.812	66%	0.663	S	S	*	*			trans	-73.6	94.2	175.1	-175	66.8	0	0	0	109.9	F130 E134	F130-L132 PolarHBondContact O-N 3.25Å; L132-E134 VanDerWaalsContact C-N 3.3Å; L132-E134 PolarHBondContact O-N 3.31Å
133	V	47	Very low	49.5	Very low	139 Å²	139	114.7 Å²	114.7	84%	0.842	68%	0.68	S	S	*	*			trans	-75.1	82.8	174.6	-176.5	0	0	0	0	109.8	P131	P131-V133 PolarHBondContact O-N 3.39Å
134	E	38	Very low	47.1	Very low	156 Å²	156	116.5 Å²	116.5	73%	0.729	69%	0.692	S	S	*	*			trans	-107.5	116.6	166.3	-169.6	159.9	-132.9	0	0	110.5	L132 T136	L132-E134 VanDerWaalsContact C-N 3.3Å; L132-E134 PolarHBondContact O-N 3.31Å; E134-T136 PolarHBondContact O-N 2.83Å
135	A	44	Very low	44.9	Very low	100 Å²	100	116.9 Å²	116.9	83%	0.826	70%	0.702	S	S	*	*			trans	-83.8	101.3	-168.5	0	0	0	0	0	112.3
136	T	32.5	Very low	42.6	Very low	138 Å²	138	118.3 Å²	118.3	85%	0.847	71%	0.714	S	S	*	*			trans	-122.4	148.4	164.1	52	0	0	0	0	111.2	E134	E134-T136 PolarHBondContact O-N 2.83Å
137	A	35.3	Very low	40.6	Very low	89 Å²	89	120.8 Å²	120.8	74%	0.736	73%	0.732	S	S	*	*			trans	-113.9	-178.6	-168.4	0	0	0	0	0	112.6
138	T	30.7	Very low	38.6	Very low	135 Å²	135	122.1 Å²	122.1	83%	0.828	74%	0.744	S	S	*	*			trans	84.1	85	166	65.1	0	0	0	0	119.2
139	A	30.3	Very low	37.3	Very low	102 Å²	102	122.3 Å²	122.3	84%	0.843	76%	0.756	S	S	*	*				59.7	131.5	114.1	0	0	0	0	0	122.4
140	S	29.1	Very low	35.4	Very low	108 Å²	108	122.2 Å²	122.2	76%	0.755	77%	0.765	S	S	*	*				-176.9	106.6	122.9	177.4	0	0	0	0	114.2
141	V	29.8	Very low	34.9	Very low	129 Å²	129	119.7 Å²	119.7	78%	0.782	76%	0.764	S	S	*	*				42.9	129.3	119.7	177.7	0	0	0	0	117.9
142	C	27.4	Very low	33.6	Very low	103 Å²	103	122.3 Å²	122.3	70%	0.696	77%	0.773	S	S	*	*				-168.4	166.1	67.5	-152.5	0	0	0	0	117.5
143	L	33.2	Very low	32.9	Very low	155 Å²	155	119.6 Å²	119.6	81%	0.812	77%	0.767	S	S	*	*			trans	76.3	149.4	165.1	-54.2	178.5	0	0	0	118.2
144	D	27.6	Very low	32.1	Very low	131 Å²	131	119.8 Å²	119.8	70%	0.701	76%	0.763	S	S	*	*			cis	-164.3	165.2	-32.6	-172.2	33.3	0	0	0	110.4
145	V	28.5	Very low	31.8	Very low	118 Å²	118	121.4 Å²	121.4	72%	0.715	77%	0.77	S	S	*	*			trans	148.2	95.2	134	169.1	0	0	0	0	110.4
146	T	30.1	Very low	31	Very low	115 Å²	115	122.8 Å²	122.8	71%	0.706	77%	0.768	S	S	*	*			trans	37	133.1	142.6	1.9	0	0	0	0	119.5
147	V	30.7	Very low	30.9	Very low	140 Å²	140	125.5 Å²	125.5	85%	0.848	77%	0.774	S	S	*	*				-158.3	154.6	58.9	168.2	0	0	0	0	112.2
148	A	26.7	Very low	30.5	Very low	86 Å²	86	125.4 Å²	125.4	71%	0.711	77%	0.773	S	S	*	*			trans	-111.4	-176.7	-178.7	0	0	0	0	0	111.6
149	P	43.1	Very low	30.4	Very low	131 Å²	131	125.2 Å²	125.2	85%	0.851	78%	0.776	S	S	*	*			cis	-138.3	-171.6	14.7	42.2	-20.8	0	0	0	117.4
150	A	27	Very low	30.2	Very low	90 Å²	90	130 Å²	130	74%	0.744	78%	0.78	S	S	*	*			trans	-96.4	-157.7	-173.7	0	0	0	0	0	112.4
151	P	43.4	Very low	30.3	Very low	103 Å²	103	132.6 Å²	132.6	67%	0.669	79%	0.785	S	S	*	*			cis	-130.6	-179.6	-5.3	23.8	4	0	0	0	114.2
152	N	28.2	Very low	30.8	Very low	146 Å²	146	131.9 Å²	131.9	78%	0.781	78%	0.783	S	S	*	*				176.9	139.5	92	-80.2	-34.7	0	0	0	114.3
153	S	29.1	Very low	30.8	Very low	98 Å²	98	130.9 Å²	130.9	69%	0.685	78%	0.783	S	S	*	*			trans	32.3	117.7	145.8	-172.6	0	0	0	0	123.5
154	N	30.2	Very low	30.4	Very low	142 Å²	142	131.5 Å²	131.5	76%	0.759	79%	0.786	S	S	*	*			trans	28.7	128.8	132.5	-51	-15.5	0	0	0	121.5
155	H	31.6	Very low	30.4	Very low	190 Å²	190	131.3 Å²	131.3	88%	0.88	79%	0.79	S	S	*	*				-163.5	159.6	120.9	-116.3	-81	0	0	0	113
156	V	27.2	Very low	30.8	Very low	130 Å²	130	134.2 Å²	134.2	79%	0.788	80%	0.795	S	S	*	*			trans	-106	141.8	179.3	-99.8	0	0	0	0	112.4
157	M	29.3	Very low	31.2	Very low	194 Å²	194	134.1 Å²	134.1	96%	0.956	80%	0.796	S	S	*	*			trans	-172.5	167.6	135.4	-104.6	-56.7	-176.4	0	0	111.6
158	A	28.3	Very low	31.6	Very low	88 Å²	88	132.9 Å²	132.9	73%	0.727	79%	0.792	S	S	*	*			trans	-111.4	172.4	-169.7	0	0	0	0	0	114.6
159	C	27.2	Very low	31.8	Very low	131 Å²	131	136.8 Å²	136.8	89%	0.885	80%	0.8	S	S	*	*			trans	-138.7	165.9	162.3	-81.5	0	0	0	0	109.3
160	E	27.2	Very low	31.4	Very low	201 Å²	201	138.3 Å²	138.3	94%	0.939	80%	0.8	S	S	*	*			trans	-103.8	169.6	-147.2	-60.9	177.6	115.2	0	0	117.1
161	L	29.9	Very low	31.8	Very low	163 Å²	163	139.9 Å²	139.9	85%	0.853	80%	0.802	S	S	*	*			trans	-76.5	-175.4	172.6	-79.8	161.6	0	0	0	111.8
162	P	42.3	Very low	31.4	Very low	115 Å²	115	138.9 Å²	138.9	75%	0.747	80%	0.803	S	S	*	*			cis	-139.2	-178.5	5.1	39.5	-19.7	0	0	0	118
163	A	26.3	Very low	31.7	Very low	82 Å²	82	138.2 Å²	138.2	68%	0.678	81%	0.807	S	S	*	*			trans	104	121.1	134.7	0	0	0	0	0	122.2
164	L	25	Very low	32.1	Very low	167 Å²	167	142.1 Å²	142.1	87%	0.874	81%	0.814	S	S	*	*			trans	67	141.9	156.6	-55.8	171.9	0	0	0	117.3
165	T	27.9	Very low	32.3	Very low	128 Å²	128	140.5 Å²	140.5	79%	0.785	81%	0.811	S	S	*	*			cis	-150	158	2.9	-18.9	0	0	0	0	111.4
166	Q	35.7	Very low	32.6	Very low	178 Å²	178	137.5 Å²	137.5	83%	0.832	81%	0.809	S	S	*	*			trans	-97.2	-178.6	159.3	-70.1	-172.7	-2.4	0	0	109.3
167	P	38.8	Very low	32.8	Very low	113 Å²	113	139.5 Å²	139.5	73%	0.734	81%	0.809	S	S	*	*			cis	-135.1	-155.3	7.9	47.6	-28.8	0	0	0	112
168	P	38.8	Very low	33.1	Very low	115 Å²	115	142.2 Å²	142.2	75%	0.747	81%	0.809	S	S	*	*			cis	-121.2	170.3	-15.8	40.3	-26.2	0	0	0	114.6
169	L	32.3	Very low	33.6	Very low	168 Å²	168	143.6 Å²	143.6	88%	0.88	81%	0.809	S	S	*	*			trans	-84.9	146.7	169.2	-68.9	161.1	0	0	0	110.8
170	L	33.7	Very low	34.2	Very low	162 Å²	162	142.5 Å²	142.5	85%	0.848	80%	0.802	S	S	*	*			trans	-105.5	143.9	160.4	-70.7	176	0	0	0	109.4
171	P	36.2	Very low	35.2	Very low	123 Å²	123	138.5 Å²	138.5	80%	0.799	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-68.7	147.6	176.9	-17.2	31.4	0	0	0	112.4
172	A	34.3	Very low	36.8	Very low	83 Å²	83	135.7 Å²	135.7	69%	0.686	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-71.8	151.8	163.4	0	0	0	0	0	110.4	Q174	A172-Q174 PolarHBondContact O-N 3.38Å
173	P	34.5	Very low	38	Very low	132 Å²	132	136 Å²	136	86%	0.857	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-64.3	133.4	-179.8	-19.5	32.4	0	0	0	112
174	Q	37.8	Very low	40.2	Very low	180 Å²	180	138.4 Å²	138.4	84%	0.841	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-81.7	151.7	165.9	-72.2	-171.7	-22.2	0	0	110.4	A172	A172-Q174 PolarHBondContact O-N 3.38Å
175	P	35.3	Very low	42.4	Very low	108 Å²	108	135.5 Å²	135.5	70%	0.701	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-63.1	148.5	173	28	-35.2	0	0	0	110.8	Q177	P175-Q177 PolarHBondContact O-N 3.49Å
176	P	36.5	Very low	44.7	Very low	127 Å²	127	131.5 Å²	131.5	83%	0.825	73%	0.734	S	S	*	*			trans	-71.9	98.7	-173.7	29	-35.1	0	0	0	111.6	R178	P176-R178 PolarHBondContact O-N 2.95Å
177	Q	32.3	Very low	46.3	Very low	172 Å²	172	130.3 Å²	130.3	80%	0.804	72%	0.721	S	S	*	*			trans	-67	120.6	162.5	-70.7	-162.6	-2.5	0	0	109.2	P175 T179	P175-Q177 PolarHBondContact O-N 3.49Å; Q177-T179 VanDerWaalsContact C-N 3.3Å; Q177-T179 PolarHBondContact O-N 3.38Å
178	R	34.9	Very low	48	Very low	250 Å²	250	129.8 Å²	129.8	94%	0.943	71%	0.71	S	S	*	*			trans	-73.4	85.2	165.8	-77.8	-168.5	179.2	-176.5	1.6	109.8	P176 S180	P176-R178 PolarHBondContact O-N 2.95Å; R178-S180 PolarHBondContact O-N 2.86Å
179	T	39.1	Very low	49.9	Very low	118 Å²	118	130.5 Å²	130.5	72%	0.724	70%	0.704	S	S	*	*			trans	-73.7	108.4	147.8	51.7	0	0	0	0	106.9	Q177 P181	Q177-T179 VanDerWaalsContact C-N 3.3Å; Q177-T179 PolarHBondContact O-N 3.38Å; T179-P181 WeakPolarHBondContact O-CD 3.4Å
180	S	39.6	Very low	52	Low	107 Å²	107	126.6 Å²	126.6	75%	0.748	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-62.5	120.2	170.3	46.9	0	0	0	0	109.1	R178	R178-S180 PolarHBondContact O-N 2.86Å
181	P	48.1	Very low	53.5	Low	118 Å²	118	123.8 Å²	123.8	77%	0.766	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-61.4	146.1	159.2	30.2	-33.4	0	0	0	107.8	T179 L183	T179-P181 WeakPolarHBondContact O-CD 3.4Å; P181-L183 PolarHBondContact O-N 3.2Å
182	D	64.1	Low	55.1	Low	103 Å²	103	121.7 Å²	121.7	55%	0.551	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-59.3	131.1	-172.5	-165.7	-16.7	0	0	0	111.3	E184 Q185 A186	D182-E184 PolarHBondContact O-N 3.24Å; D182-E184 PolarHBondContact OD1-N 3.48Å; D182-Q185 HydrophobicContact CB-CB 4.03Å; D182-Q185 WeakPolarHBondContact O-CB 3.46Å; D182-Q185 PolarHBondContact O-N 3.43Å; D182-Q185 VanDerWaalsContact O-N 3.14Å; D182-A186 PolarHBondContact O-N 3.45Å; D182-A186 VanDerWaalsContact O-N 3.11Å
183	L	67.8	Low	57.4	Low	121 Å²	121	121.5 Å²	121.5	63%	0.634	64%	0.644	S	S	*	*	H	α-helix	trans	-62.3	-33.5	177.7	-178.4	60.3	0	0	0	110.6	P181 A186 W187	P181-L183 PolarHBondContact O-N 3.2Å; L183-A186 PolarHBondContact O-N 2.93Å; L183-W187 PolarHBondContact O-N 2.89Å
184	E	72.1	Confident	58.8	Low	133 Å²	133	118.7 Å²	118.7	62%	0.621	63%	0.626	S	S	*	*	H	α-helix	trans	-67.5	-36.8	176.1	-169.9	163.6	-170.7	0	0	111.6	D182 W187 M188	D182-E184 PolarHBondContact O-N 3.24Å; D182-E184 PolarHBondContact OD1-N 3.48Å; E184-W187 PolarHBondContact O-N 2.89Å; E184-M188 WeakPolarHBondContact O-CG 3.35Å; E184-M188 PolarHBondContact O-N 2.65Å
185	Q	70.5	Confident	60.4	Low	107 Å²	107	115.9 Å²	115.9	50%	0.5	61%	0.613	S	S	.	*	H	α-helix	trans	-65.8	-39.8	174	-173.6	61.5	58	0	0	111.9	D182 M188 E189	D182-Q185 HydrophobicContact CB-CB 4.03Å; D182-Q185 WeakPolarHBondContact O-CB 3.46Å; D182-Q185 PolarHBondContact O-N 3.43Å; D182-Q185 VanDerWaalsContact O-N 3.14Å; Q185-M188 PolarHBondContact O-N 3.09Å; Q185-E189 WeakPolarHBondContact O-CB 3.18Å; Q185-E189 PolarHBondContact O-N 3.11Å
186	A	76.7	Confident	61.7	Low	44 Å²	44	114 Å²	114	36%	0.364	60%	0.596	S	S	.	*	H	α-helix	trans	-66	-36.5	175.3	0	0	0	0	0	112.5	D182 L183 L190	D182-A186 PolarHBondContact O-N 3.45Å; D182-A186 VanDerWaalsContact O-N 3.11Å; L183-A186 PolarHBondContact O-N 2.93Å; A186-L190 WeakPolarHBondContact O-CB 3.42Å; A186-L190 PolarHBondContact O-N 3.39Å
187	W	69	Low	62.9	Low	152 Å²	152	113.3 Å²	113.3	58%	0.576	58%	0.582	S	S	*	*	H	α-helix	trans	-68.6	-40.7	172.6	-78.2	117	0	0	0	112.6	L183 E184 E189 L190 L191	L183-W187 PolarHBondContact O-N 2.89Å; E184-W187 PolarHBondContact O-N 2.89Å; W187-E189 VanDerWaalsContact C-N 3.35Å; W187-L190 HydrophobicContact CE3-CD1 4.25Å; W187-L190 HydrophobicContact CZ3-CD1 4.37Å; W187-L190 PolarHBondContact O-N 3.45Å; W187-L191 WeakPolarHBondContact O-CB 3.19Å; W187-L191 VanDerWaalsContact O-CG 3.27Å; W187-L191 WeakPolarHBondContact O-CG 3.33Å; W187-L191 PolarHBondContact O-N 2.79Å
188	M	73.9	Confident	64.2	Low	102 Å²	102	111.2 Å²	111.2	50%	0.502	57%	0.572	S	S	.	*	H	α-helix	trans	-62.4	-41.4	173.8	-75.1	-168.4	-71.4	0	0	112	E184 Q185 L191 S192	E184-M188 WeakPolarHBondContact O-CG 3.35Å; E184-M188 PolarHBondContact O-N 2.65Å; Q185-M188 PolarHBondContact O-N 3.09Å; M188-L191 PolarHBondContact O-N 2.67Å; M188-S192 WeakPolarHBondContact O-CB 3.31Å; M188-S192 PolarHBondContact O-N 3.1Å
189	E	79.4	Confident	65.2	Low	130 Å²	130	103.6 Å²	103.6	61%	0.607	56%	0.556	S	S	*	*	H	α-helix	trans	-63.8	-47	176.5	-166.9	165.1	-138.9	0	0	111.6	Q185 W187 L191 S192	Q185-E189 WeakPolarHBondContact O-CB 3.18Å; Q185-E189 PolarHBondContact O-N 3.11Å; W187-E189 VanDerWaalsContact C-N 3.35Å; E189-L191 PolarHBondContact O-N 3.15Å; E189-S192 PolarHBondContact O-N 3.3Å; E189-S192 PolarHBondContact O-OG 2.77Å
190	L	76.9	Confident	66.1	Low	86 Å²	86	102.7 Å²	102.7	45%	0.45	55%	0.547	S	S	.	.	H	α-helix	trans	-56.2	-44.6	171.8	-94.9	161	0	0	0	113.5	A186 W187 S192 L193 L196	A186-L190 WeakPolarHBondContact O-CB 3.42Å; A186-L190 PolarHBondContact O-N 3.39Å; W187-L190 HydrophobicContact CE3-CD1 4.25Å; W187-L190 HydrophobicContact CZ3-CD1 4.37Å; W187-L190 PolarHBondContact O-N 3.45Å; L190-S192 VanDerWaalsContact C-N 3.25Å; L190-S192 PolarHBondContact O-N 2.73Å; L190-L193 HydrophobicContact CD2-CD1 4.23Å; L190-L193 WeakPolarHBondContact O-CG 3.22Å; L190-L193 PolarHBondContact O-N 3.05Å; L190-L196 VanDerWaalsContact O-CD2 3.27Å; L190-L196 WeakPolarHBondContact O-CD2 3.17Å
191	L	64.4	Low	66.8	Low	104 Å²	104	101.8 Å²	101.8	55%	0.545	53%	0.533	S	S	.	.	H	α-helix	trans	-73.8	-15.7	-179.6	-70.9	170.9	0	0	0	113.4	W187 M188 E189	W187-L191 WeakPolarHBondContact O-CB 3.19Å; W187-L191 VanDerWaalsContact O-CG 3.27Å; W187-L191 WeakPolarHBondContact O-CG 3.33Å; W187-L191 PolarHBondContact O-N 2.79Å; M188-L191 PolarHBondContact O-N 2.67Å; E189-L191 PolarHBondContact O-N 3.15Å
192	S	69.4	Low	66.9	Low	79 Å²	79	101.4 Å²	101.4	55%	0.552	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.3	175.5	77	0	0	0	0	114.5	M188 E189 L190 P194	M188-S192 WeakPolarHBondContact O-CB 3.31Å; M188-S192 PolarHBondContact O-N 3.1Å; E189-S192 PolarHBondContact O-N 3.3Å; E189-S192 PolarHBondContact O-OG 2.77Å; L190-S192 VanDerWaalsContact C-N 3.25Å; L190-S192 PolarHBondContact O-N 2.73Å; S192-P194 WeakPolarHBondContact O-CD 3.33Å
193	L	83.1	Confident	66.1	Low	78 Å²	78	104 Å²	104	41%	0.408	53%	0.531	S	S	.	.			trans	-68	119.1	-179.9	-64.5	175.5	0	0	0	110.3	L190 E195 L196 Q197	L190-L193 HydrophobicContact CD2-CD1 4.23Å; L190-L193 WeakPolarHBondContact O-CG 3.22Å; L190-L193 PolarHBondContact O-N 3.05Å; L193-E195 PolarHBondContact O-N 2.89Å; L193-L196 HydrophobicContact CB-CB 4.05Å; L193-L196 PolarHBondContact O-N 3.32Å; L193-Q197 PolarHBondContact O-N 3.37Å
194	P	64.4	Low	65	Low	73 Å²	73	105.1 Å²	105.1	47%	0.474	54%	0.535	S	S	.	.	H	α-helix	trans	-64.6	-27.4	-174.4	25	-33.1	0	0	0	112.8	S192 Q198	S192-P194 WeakPolarHBondContact O-CD 3.33Å; P194-Q198 WeakPolarHBondContact O-CG 3.21Å; P194-Q198 PolarHBondContact O-N 2.96Å; P194-Q198 VanDerWaalsContact O-N 3.11Å
195	E	71.7	Confident	63.6	Low	122 Å²	122	104 Å²	104	57%	0.57	53%	0.528	S	S	*	.	H	α-helix	trans	-66.3	-40.9	173.7	-57.6	75.5	-165.5	0	0	111.3	L193 Q198 C199	L193-E195 PolarHBondContact O-N 2.89Å; E195-Q198 PolarHBondContact O-N 3.44Å; E195-C199 PolarHBondContact O-N 2.99Å; E195-C199 PolarHBondContact O-SG 3.26Å; E195-C199 VanDerWaalsContact O-SG 3.41Å
196	L	62.5	Low	62.3	Low	69 Å²	69	104 Å²	104	36%	0.361	53%	0.532	S	S	.	.	H	α-helix	trans	-70.9	-38.5	178.3	-162.9	73.8	0	0	0	111.1	L190 L193 Q198 C199 L200	L190-L196 VanDerWaalsContact O-CD2 3.27Å; L190-L196 WeakPolarHBondContact O-CD2 3.17Å; L193-L196 HydrophobicContact CB-CB 4.05Å; L193-L196 PolarHBondContact O-N 3.32Å; L196-Q198 VanDerWaalsContact C-N 3.29Å; L196-Q198 PolarHBondContact O-N 3.42Å; L196-C199 WeakPolarHBondContact O-CB 3.48Å; L196-C199 PolarHBondContact O-N 3.23Å; L196-L200 PolarHBondContact O-N 2.99Å
197	Q	62.2	Low	60.6	Low	111 Å²	111	107 Å²	107	52%	0.519	55%	0.545	S	S	.	.	H	α-helix	trans	-68.7	-25.9	177.3	-163.2	172.1	25.9	0	0	112.9	L193 N201	L193-Q197 PolarHBondContact O-N 3.37Å; Q197-N201 WeakPolarHBondContact O-CB 3.49Å; Q197-N201 PolarHBondContact O-N 3.26Å; Q197-N201 VanDerWaalsContact O-N 3.11Å; Q197-N201 PolarHBondContact O-ND2 3.21Å
198	Q	58.1	Low	59.2	Low	129 Å²	129	105.7 Å²	105.7	60%	0.603	55%	0.549	S	S	*	.	H	α-helix	trans	-68.6	-46.3	168.7	-74.8	175.2	30.2	0	0	111.7	P194 E195 L196 L200 N201 M202	P194-Q198 WeakPolarHBondContact O-CG 3.21Å; P194-Q198 PolarHBondContact O-N 2.96Å; P194-Q198 VanDerWaalsContact O-N 3.11Å; E195-Q198 PolarHBondContact O-N 3.44Å; L196-Q198 VanDerWaalsContact C-N 3.29Å; L196-Q198 PolarHBondContact O-N 3.42Å; Q198-L200 VanDerWaalsContact C-N 3.31Å; Q198-L200 PolarHBondContact O-N 3.26Å; Q198-N201 PolarHBondContact O-N 2.81Å; Q198-M202 PolarHBondContact O-N 2.85Å
199	C	56.4	Low	57.6	Low	90 Å²	90	106.1 Å²	106.1	61%	0.608	55%	0.554	S	S	*	*	H	α-helix	trans	-57.9	-41.8	176.6	-66.6	0	0	0	0	112.4	E195 L196	E195-C199 PolarHBondContact O-N 2.99Å; E195-C199 PolarHBondContact O-SG 3.26Å; E195-C199 VanDerWaalsContact O-SG 3.41Å; L196-C199 WeakPolarHBondContact O-CB 3.48Å; L196-C199 PolarHBondContact O-N 3.23Å
200	L	57	Low	55.6	Low	99 Å²	99	108.3 Å²	108.3	52%	0.518	56%	0.564	S	S	.	*	H	α-helix	trans	-71.2	-36.8	178.1	-69.2	168.8	0	0	0	113.1	L196 Q198	L196-L200 PolarHBondContact O-N 2.99Å; Q198-L200 VanDerWaalsContact C-N 3.31Å; Q198-L200 PolarHBondContact O-N 3.26Å
201	N	56.3	Low	53.6	Low	88 Å²	88	110.3 Å²	110.3	47%	0.471	58%	0.58	S	S	.	*	H	α-helix	trans	-72.2	-32.5	177.7	-88.4	-69.6	0	0	0	113.5	Q197 Q198 Q203 M204 K205	Q197-N201 WeakPolarHBondContact O-CB 3.49Å; Q197-N201 PolarHBondContact O-N 3.26Å; Q197-N201 VanDerWaalsContact O-N 3.11Å; Q197-N201 PolarHBondContact O-ND2 3.21Å; Q198-N201 PolarHBondContact O-N 2.81Å; N201-Q203 PolarHBondContact O-N 2.97Å; N201-M204 PolarHBondContact O-N 3.25Å; N201-M204 VanDerWaalsContact O-N 3.11Å; N201-K205 PolarHBondContact O-N 2.99Å
202	M	49.8	Very low	52	Low	109 Å²	109	109.2 Å²	109.2	54%	0.537	59%	0.593	S	S	.	*	H	α-helix	trans	-52.6	-43.8	179.4	-146.3	78	77	0	0	111.3	Q198 M204 K205 D206	Q198-M202 PolarHBondContact O-N 2.85Å; M202-M204 VanDerWaalsContact C-N 3.27Å; M202-M204 PolarHBondContact O-N 3.44Å; M202-K205 WeakPolarHBondContact O-CB 3.43Å; M202-K205 PolarHBondContact O-N 3.32Å; M202-D206 PolarHBondContact O-N 3.14Å
203	Q	47.5	Very low	49.9	Very low	157 Å²	157	108.4 Å²	108.4	73%	0.734	60%	0.598	S	S	*	*	H	α-helix	trans	-68.5	-19	-175.7	-165.2	161.1	72.5	0	0	114.3	N201	N201-Q203 PolarHBondContact O-N 2.97Å
204	M	43.8	Very low	47.3	Very low	145 Å²	145	115.3 Å²	115.3	71%	0.714	62%	0.62	S	S	*	*	H	α-helix	trans	-97.2	-7.9	169.3	-69.6	-150.9	-59.8	0	0	113.9	N201 M202 T207	N201-M204 PolarHBondContact O-N 3.25Å; N201-M204 VanDerWaalsContact O-N 3.11Å; M202-M204 VanDerWaalsContact C-N 3.27Å; M202-M204 PolarHBondContact O-N 3.44Å; M204-T207 PolarHBondContact O-OG1 3.22Å
205	K	43.7	Very low	45.6	Very low	109 Å²	109	119.9 Å²	119.9	47%	0.474	64%	0.64	S	S	.	*	H	α-helix	trans	-85.4	-49.2	178	-171.8	60.5	-179.6	141.5	0	111.3	N201 M202 T207 L208 D209	N201-K205 PolarHBondContact O-N 2.99Å; M202-K205 WeakPolarHBondContact O-CB 3.43Å; M202-K205 PolarHBondContact O-N 3.32Å; K205-T207 PolarHBondContact O-N 2.83Å; K205-T207 VanDerWaalsContact O-N 3.11Å; K205-L208 PolarHBondContact O-N 3.46Å; K205-L208 VanDerWaalsContact O-N 3.09Å; K205-D209 WeakPolarHBondContact CE-OD2 3.35Å; K205-D209 IonicContact NZ-OD1 2.77Å; K205-D209 IonicContact NZ-OD2 3.68Å; K205-D209 PolarHBondContact NZ-OD2 2.95Å
206	D	42.7	Very low	43.9	Very low	109 Å²	109	118.7 Å²	118.7	58%	0.583	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-20.1	-176.3	-65.5	-28.1	0	0	0	114	M202	M202-D206 PolarHBondContact O-N 3.14Å
207	T	40.3	Very low	42.1	Very low	105 Å²	105	121 Å²	121	64%	0.644	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-14.9	178.2	38.7	0	0	0	0	114.2	M204 K205	M204-T207 PolarHBondContact O-OG1 3.22Å; K205-T207 PolarHBondContact O-N 2.83Å; K205-T207 VanDerWaalsContact O-N 3.11Å
208	L	39.7	Very low	40.4	Very low	125 Å²	125	123.5 Å²	123.5	65%	0.654	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-39.6	-179.4	-174.2	58.6	0	0	0	112.7	K205 Q210	K205-L208 PolarHBondContact O-N 3.46Å; K205-L208 VanDerWaalsContact O-N 3.09Å; L208-Q210 PolarHBondContact O-N 3.21Å; L208-Q210 VanDerWaalsContact O-N 3.16Å
209	D	41.3	Very low	38.9	Very low	112 Å²	112	123 Å²	123	60%	0.599	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	4.9	-170.7	-67.2	-44.7	0	0	0	114	K205	K205-D209 WeakPolarHBondContact CE-OD2 3.35Å; K205-D209 IonicContact NZ-OD1 2.77Å; K205-D209 IonicContact NZ-OD2 3.68Å; K205-D209 PolarHBondContact NZ-OD2 2.95Å
210	Q	37.6	Very low	37.4	Very low	175 Å²	175	124.9 Å²	124.9	82%	0.818	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	7.2	-177.5	-155.7	165.1	113.8	0	0	115.6	L208	L208-Q210 PolarHBondContact O-N 3.21Å; L208-Q210 VanDerWaalsContact O-N 3.16Å
211	T	34	Very low	36.5	Very low	128 Å²	128	125.6 Å²	125.6	79%	0.785	70%	0.702	S	S	*	*			trans	-119.8	24.5	-175.6	-41.8	0	0	0	0	114
212	G	29.7	Very low	34.9	Very low	81 Å²	81	130.1 Å²	130.1	84%	0.835	72%	0.72	S	S	*	*			trans	-109.3	72.8	-167.7	0	0	0	0	0	117.6
213	G	25.9	Very low	33.9	Very low	62 Å²	62	130.4 Å²	130.4	64%	0.639	73%	0.728	S	S	*	*			trans	147	148.2	167.3	0	0	0	0	0	113.8
214	Y	28.9	Very low	32.9	Very low	224 Å²	224	131.7 Å²	131.7	88%	0.878	73%	0.734	S	S	*	*			cis	-147.9	153.4	3.1	-68	-103.9	0	0	0	109.5
215	L	27.7	Very low	32.1	Very low	169 Å²	169	132 Å²	132	89%	0.885	74%	0.738	S	S	*	*			trans	170.1	159.4	143.6	-93.1	161.1	0	0	0	110.3
216	P	35.9	Very low	32.3	Very low	96 Å²	96	131.4 Å²	131.4	62%	0.623	75%	0.745	S	S	*	*				-130.5	165.8	-107.4	44.6	-31.9	0	0	0	117.7
217	T	25.9	Very low	31.6	Very low	118 Å²	118	132.7 Å²	132.7	72%	0.724	75%	0.752	S	S	*	*			trans	41.5	120.2	146.3	56.4	0	0	0	0	120.9
218	N	26.1	Very low	31	Very low	163 Å²	163	138.1 Å²	138.1	87%	0.872	76%	0.763	S	S	*	*				-158.1	151.8	113.4	-98.4	-29.1	0	0	0	112
219	T	26.1	Very low	30.4	Very low	120 Å²	120	136.7 Å²	136.7	74%	0.736	76%	0.763	S	S	*	*			trans	-78.9	169.2	172.8	53.4	0	0	0	0	110.6
220	T	26.4	Very low	29.6	Very low	128 Å²	128	140.8 Å²	140.8	79%	0.785	78%	0.776	S	S	*	*			cis	-163.4	-171.7	46.2	-8.2	0	0	0	0	109
221	P	36.7	Very low	29.2	Very low	115 Å²	115	142.4 Å²	142.4	75%	0.747	78%	0.776	S	S	*	*			trans	-118.8	-148.4	-147.1	45.3	-29.4	0	0	0	114.8
222	E	23.5	Very low	29.6	Very low	182 Å²	182	142 Å²	142	85%	0.85	78%	0.776	S	S	*	*			trans	88.7	138.8	168	-151.8	175.3	176.8	0	0	116.1
223	V	29	Very low	29.6	Very low	116 Å²	116	145 Å²	145	70%	0.703	77%	0.772	S	S	*	*			cis	-172.6	168	-40.3	123.2	0	0	0	0	108.6
224	Q	27.3	Very low	30.5	Very low	184 Å²	184	148.2 Å²	148.2	86%	0.86	78%	0.782	S	S	*	*			trans	90.3	112.1	165.8	-88.5	165.8	116.2	0	0	121.5
225	D	25.7	Very low	30.5	Very low	151 Å²	151	144.4 Å²	144.4	81%	0.807	78%	0.776	S	S	*	*			trans	-62.4	-171.5	155.8	-113.1	-44.4	0	0	0	114.2
226	P	47.8	Very low	30.4	Very low	96 Å²	96	144.3 Å²	144.3	62%	0.623	78%	0.776	S	S	*	*			cis	-137.9	175.1	-17.4	33.5	-14.3	0	0	0	116.1
227	N	28.2	Very low	30.1	Very low	137 Å²	137	143.8 Å²	143.8	73%	0.733	78%	0.78	S	S	*	*			trans	140.1	147.9	147.2	-84.5	-78.4	0	0	0	111.7
228	Y	27.1	Very low	30.2	Very low	219 Å²	219	147.1 Å²	147.1	86%	0.859	79%	0.787	S	S	*	*			cis	-135.6	178.5	10.3	-144	-91.8	0	0	0	110
229	S	28.1	Very low	30.3	Very low	95 Å²	95	145 Å²	145	66%	0.664	78%	0.78	S	S	*	*			trans	-132.7	173.4	-165.7	-169	0	0	0	0	116.5
230	F	24.4	Very low	30.4	Very low	198 Å²	198	143.5 Å²	143.5	87%	0.868	78%	0.779	S	S	*	*			trans	104.7	127	161.9	-82.2	-88.3	0	0	0	122.9
231	Y	28.6	Very low	30.6	Very low	208 Å²	208	142.2 Å²	142.2	82%	0.816	78%	0.776	S	S	*	*			trans	-89.3	-177.3	161.9	-92.9	-77.5	0	0	0	110
232	P	42.8	Very low	30.3	Very low	120 Å²	120	144.1 Å²	144.1	78%	0.779	78%	0.779	S	S	*	*			cis	-147.2	-169.2	25.6	43.9	-21	0	0	0	119.4
233	L	28.7	Very low	30.6	Very low	143 Å²	143	140 Å²	140	75%	0.749	78%	0.777	S	S	*	*			trans	-48.5	174.4	170.2	-112.2	71.4	0	0	0	116.8
234	P	45.7	Very low	30.6	Very low	131 Å²	131	138.8 Å²	138.8	85%	0.851	78%	0.779	S	S	*	*			cis	-147.3	-160.5	46.9	43.6	-20.8	0	0	0	118.7
235	N	28.1	Very low	30.6	Very low	144 Å²	144	139 Å²	139	77%	0.77	78%	0.78	S	S	*	*			trans	-120	150.1	-154.1	178.6	19.6	0	0	0	113.2
236	L	26.6	Very low	30.7	Very low	167 Å²	167	137.5 Å²	137.5	87%	0.874	78%	0.776	S	S	*	*			trans	-167.5	164.3	153.6	-149.9	68.2	0	0	0	112.2
237	A	28.9	Very low	29.6	Very low	85 Å²	85	138.5 Å²	138.5	70%	0.702	78%	0.784	S	S	*	*			trans	-142	152.7	174.1	0	0	0	0	0	111.6
238	E	27.6	Very low	30.7	Very low	187 Å²	187	137.5 Å²	137.5	87%	0.874	79%	0.785	S	S	*	*			trans	172.9	146.2	144.2	-100.1	-167.5	139.9	0	0	115.1
239	V	29.6	Very low	31.8	Very low	120 Å²	120	131.2 Å²	131.2	73%	0.727	77%	0.771	S	S	*	*			trans	51	100.5	142.2	-173.1	0	0	0	0	123
240	A	28.5	Very low	31.7	Very low	87 Å²	87	134.3 Å²	134.3	72%	0.719	78%	0.775	S	S	*	*				49	135.8	126.4	0	0	0	0	0	125.9
241	S	30.2	Very low	31.9	Very low	102 Å²	102	133.3 Å²	133.3	71%	0.713	77%	0.77	S	S	*	*				133.4	138.7	127.6	-56.9	0	0	0	0	117.4
242	N	29.3	Very low	32	Very low	154 Å²	154	129.6 Å²	129.6	82%	0.824	76%	0.763	S	S	*	*			trans	68.9	123.1	162.9	-56.2	-40.5	0	0	0	117.2
243	A	29.7	Very low	31.2	Very low	97 Å²	97	131.2 Å²	131.2	80%	0.802	77%	0.766	S	S	*	*				84.4	144.3	58.1	0	0	0	0	0	113.7
244	A	29.3	Very low	31.1	Very low	90 Å²	90	129.1 Å²	129.1	74%	0.744	77%	0.769	S	S	*	*			cis	-171.9	159.7	-15.7	0	0	0	0	0	110.9
245	E	27	Very low	30.2	Very low	188 Å²	188	131.9 Å²	131.9	88%	0.879	77%	0.768	S	S	*	*			trans	-168	120.3	156.2	-108.4	170.6	-169.4	0	0	106.9
246	V	28	Very low	30.2	Very low	120 Å²	120	132.7 Å²	132.7	73%	0.727	77%	0.767	S	S	*	*			cis	76.1	95	50	-177.5	0	0	0	0	111.3
247	C	25.2	Very low	30.1	Very low	116 Å²	116	133.6 Å²	133.6	78%	0.784	77%	0.767	S	S	*	*				70.7	156	67.8	-69.1	0	0	0	0	115
248	P	50.7	Low	29.9	Very low	116 Å²	116	134.8 Å²	134.8	75%	0.753	77%	0.77	S	S	*	*			cis	-134	-133.1	-25.8	37.1	-13.9	0	0	0	109.5
249	P	50.5	Low	30.1	Very low	88 Å²	88	135.2 Å²	135.2	57%	0.571	77%	0.769	S	S	*	*			cis	-136.5	175.6	-26.8	36.4	-16.4	0	0	0	117.6
250	E	26.4	Very low	30.9	Very low	160 Å²	160	134.9 Å²	134.9	75%	0.748	77%	0.769	S	S	*	*			trans	50.6	136.7	144.7	-64.7	143.7	-143.3	0	0	121.7
251	F	28.7	Very low	30.8	Very low	176 Å²	176	137.8 Å²	137.8	77%	0.772	77%	0.773	S	S	*	*				-164.8	134.1	63.1	-120.2	-88	0	0	0	116.3
252	I	30.2	Very low	30.6	Very low	130 Å²	130	140.9 Å²	140.9	67%	0.667	78%	0.778	S	S	*	*			trans	0.9	129.7	153.1	-46.8	178.2	0	0	0	123.3
253	N	26.6	Very low	30.7	Very low	155 Å²	155	137.4 Å²	137.4	83%	0.829	77%	0.771	S	S	*	*			trans	42.5	129.5	149.5	-55.4	-9.8	0	0	0	125
254	A	25.9	Very low	31.2	Very low	98 Å²	98	138.4 Å²	138.4	81%	0.81	77%	0.769	S	S	*	*				-167.9	140.8	127.6	0	0	0	0	0	115.5
255	F	26.8	Very low	31.1	Very low	189 Å²	189	141 Å²	141	83%	0.829	77%	0.77	S	S	*	*			trans	-20.8	162.3	142.4	-84.4	-106.6	0	0	0	118.1
256	E	27.8	Very low	31.2	Very low	161 Å²	161	137.9 Å²	137.9	75%	0.752	76%	0.759	S	S	*	*			cis	-161.6	-175.1	16.3	-157.3	154.5	178.7	0	0	113.5
257	E	24.4	Very low	31.3	Very low	187 Å²	187	140.7 Å²	140.7	87%	0.874	76%	0.764	S	S	*	*			trans	78.4	155.2	159.5	-58.5	-168.9	143	0	0	120.9
258	S	26.7	Very low	31.5	Very low	110 Å²	110	142.3 Å²	142.3	77%	0.769	76%	0.764	S	S	*	*			cis	-172	151.3	-40.4	-168.7	0	0	0	0	110
259	F	31.5	Very low	30.8	Very low	195 Å²	195	144 Å²	144	86%	0.855	77%	0.767	S	S	*	*			trans	-84.1	178.9	165.9	-82.3	-78.3	0	0	0	110.4
260	P	46.2	Very low	29.9	Very low	113 Å²	113	147.8 Å²	147.8	73%	0.734	78%	0.777	S	S	*	*			cis	-150	-177.5	22.3	38.3	-14.1	0	0	0	119.5
261	N	26.5	Very low	29.8	Very low	148 Å²	148	148.7 Å²	148.7	79%	0.791	78%	0.783	S	S	*	*				131.5	153.1	116.8	-145.8	-0.1	0	0	0	118.7
262	M	26.3	Very low	29.8	Very low	167 Å²	167	145.6 Å²	145.6	82%	0.823	78%	0.779	S	S	*	*			trans	78	119.8	167.5	-61.7	-155.6	70.8	0	0	121.3
263	A	30.3	Very low	29.7	Very low	82 Å²	82	147.1 Å²	147.1	68%	0.678	79%	0.788	S	S	*	*			trans	-103.4	-173	158	0	0	0	0	0	108.5
264	P	40.4	Very low	29.9	Very low	118 Å²	118	148.5 Å²	148.5	77%	0.766	79%	0.786	S	S	*	*			cis	-143.9	-173.3	11.8	41	-19.2	0	0	0	117.6
265	L	28	Very low	30	Very low	144 Å²	144	147.7 Å²	147.7	75%	0.754	78%	0.78	S	S	*	*			trans	124.2	113.7	131.3	-154.6	69.1	0	0	0	119.1
266	D	29.4	Very low	30.3	Very low	123 Å²	123	144.3 Å²	144.3	66%	0.658	78%	0.777	S	S	*	*			trans	65.4	143	146.5	-63.5	-10.7	0	0	0	127
267	H	29.6	Very low	30.7	Very low	178 Å²	178	144.5 Å²	144.5	82%	0.824	78%	0.783	S	S	*	*			trans	60.4	110.8	155.9	-71.9	-61	0	0	0	121.3
268	L	29.6	Very low	31.2	Very low	150 Å²	150	143.4 Å²	143.4	79%	0.785	78%	0.782	S	S	*	*				-174.3	138.5	96.6	-177.2	59.3	0	0	0	112.1
269	N	35.6	Very low	31.4	Very low	152 Å²	152	145.6 Å²	145.6	81%	0.813	79%	0.785	S	S	*	*			trans	-85.2	127.2	170.9	-80.1	-28.4	0	0	0	111.9
270	Q	30.4	Very low	31.8	Very low	167 Å²	167	142.4 Å²	142.4	78%	0.78	78%	0.782	S	S	*	*			trans	-174	103.9	151.9	-108	154.7	106.6	0	0	110.3
271	M	25.8	Very low	31.2	Very low	179 Å²	179	144.4 Å²	144.4	88%	0.882	79%	0.786	S	S	*	*			trans	-106.6	96.4	173.5	-164.7	68.1	174.7	0	0	109.4	L273	M271-L273 PolarHBondContact O-N 3.24Å
272	T	27.5	Very low	31.5	Very low	111 Å²	111	146.1 Å²	146.1	68%	0.681	79%	0.787	S	S	*	*			trans	-84	110.1	-178.2	-59.2	0	0	0	0	110.8
273	L	28.6	Very low	32	Very low	163 Å²	163	141.2 Å²	141.2	85%	0.853	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-87.3	124.5	165.6	-74.1	173.3	0	0	0	110.3	M271	M271-L273 PolarHBondContact O-N 3.24Å
274	K	30.3	Very low	32.7	Very low	184 Å²	184	139 Å²	139	80%	0.8	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-84.4	126.6	176.8	-82.2	-78.2	-168.5	166.8	0	110.3
275	A	28.6	Very low	32.7	Very low	81 Å²	81	136.6 Å²	136.6	67%	0.669	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-81	150.2	158.5	0	0	0	0	0	109.7
276	P	33.7	Very low	33.5	Very low	118 Å²	118	133.7 Å²	133.7	77%	0.766	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-75.9	144.3	177.7	31.2	-34.5	0	0	0	111.9	L278	P276-L278 PolarHBondContact O-N 3.2Å
277	D	35.8	Very low	34.4	Very low	164 Å²	164	133.4 Å²	133.4	88%	0.877	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-69.2	125.1	-178.4	-60.2	-73.8	0	0	0	112.1
278	L	33.8	Very low	35.4	Very low	164 Å²	164	125.8 Å²	125.8	86%	0.859	69%	0.689	S	S	*	*			trans	-109.9	141.7	169.5	-74.5	176.4	0	0	0	110.7	P276 T280	P276-L278 PolarHBondContact O-N 3.2Å; L278-T280 PolarHBondContact O-N 3.11Å
279	N	30.8	Very low	36.6	Very low	157 Å²	157	122.8 Å²	122.8	84%	0.84	67%	0.673	S	S	*	*			trans	-53.7	122.8	-164.7	-111.6	-50.7	0	0	0	114.8	N281	N279-N281 PolarHBondContact O-N 3.07Å
280	T	40.8	Very low	37.4	Very low	128 Å²	128	119.6 Å²	119.6	79%	0.785	66%	0.659	S	S	*	*	S	Bend	trans	-72.5	86.8	173.2	40.5	0	0	0	0	111.8	L278	L278-T280 PolarHBondContact O-N 3.11Å
281	N	34	Very low	38.6	Very low	154 Å²	154	113.7 Å²	113.7	82%	0.824	63%	0.631	S	S	*	*			trans	-147	6.3	163	-100.6	-39.8	0	0	0	115.7	N279 S283	N279-N281 PolarHBondContact O-N 3.07Å; N281-S283 PolarHBondContact O-N 2.86Å
282	F	31.9	Very low	40.1	Very low	185 Å²	185	106.9 Å²	106.9	81%	0.811	60%	0.596	S	S	*	*	S	Bend	trans	-80.9	98.5	169.1	-139.5	-89.4	0	0	0	109.7	A284	F282-A284 PolarHBondContact O-N 2.91Å; F282-A284 VanDerWaalsContact O-N 3.14Å
283	S	37.5	Very low	41.3	Very low	64 Å²	64	106.9 Å²	106.9	45%	0.448	59%	0.588	S	S	.	*			trans	-61.1	115.9	-176.7	179.9	0	0	0	0	111.8	N281 A285 T286	N281-S283 PolarHBondContact O-N 2.86Å; S283-A285 PolarHBondContact O-N 3.25Å; S283-A285 VanDerWaalsContact O-N 3.14Å; S283-T286 WeakPolarHBondContact O-CB 3.23Å; S283-T286 PolarHBondContact O-N 3.45Å; S283-T286 PolarHBondContact O-OG1 3.03Å
284	A	44.3	Very low	42.2	Very low	36 Å²	36	103.9 Å²	103.9	30%	0.298	57%	0.573	S	S	.	*	H	α-helix	trans	-59.6	-24.1	177.9	0	0	0	0	0	113	F282 T286 F287 C288	F282-A284 PolarHBondContact O-N 2.91Å; F282-A284 VanDerWaalsContact O-N 3.14Å; A284-T286 VanDerWaalsContact C-N 3.34Å; A284-F287 PolarHBondContact O-N 3.08Å; A284-C288 PolarHBondContact O-N 2.91Å; A284-C288 PolarHBondContact O-SG 3.46Å
285	A	41.3	Very low	43.4	Very low	66 Å²	66	95.6 Å²	95.6	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-61.2	-41.6	172.2	0	0	0	0	0	111.7	S283 F287 C288 D289	S283-A285 PolarHBondContact O-N 3.25Å; S283-A285 VanDerWaalsContact O-N 3.14Å; A285-F287 VanDerWaalsContact C-N 3.34Å; A285-F287 PolarHBondContact O-N 3.49Å; A285-C288 PolarHBondContact O-N 3.4Å; A285-D289 WeakPolarHBondContact O-CB 3.24Å; A285-D289 PolarHBondContact O-N 3.22Å
286	T	45.3	Very low	44.4	Very low	83 Å²	83	94.8 Å²	94.8	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-64.5	-38.5	178.9	-43.7	0	0	0	0	111.7	S283 A284 V290	S283-T286 WeakPolarHBondContact O-CB 3.23Å; S283-T286 PolarHBondContact O-N 3.45Å; S283-T286 PolarHBondContact O-OG1 3.03Å; A284-T286 VanDerWaalsContact C-N 3.34Å; T286-V290 WeakPolarHBondContact O-CG2 3.44Å; T286-V290 PolarHBondContact O-N 2.9Å
287	F	46.7	Very low	44.7	Very low	117 Å²	117	96 Å²	96	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-64.3	-52.5	173.1	-173.9	-94.3	0	0	0	110.5	A284 A285 D289 V290 F291	A284-F287 PolarHBondContact O-N 3.08Å; A285-F287 VanDerWaalsContact C-N 3.34Å; A285-F287 PolarHBondContact O-N 3.49Å; F287-D289 VanDerWaalsContact C-N 3.32Å; F287-D289 PolarHBondContact O-N 2.87Å; F287-V290 PolarHBondContact O-N 3.11Å; F287-F291 HydrophobicContact CD1-CD2 4.39Å; F287-F291 HydrophobicContact CD2-CD2 4.49Å; F287-F291 HydrophobicContact CD2-CE2 4.08Å; F287-F291 HydrophobicContact CE1-CD2 4.17Å; F287-F291 HydrophobicContact CE1-CE2 4.23Å; F287-F291 HydrophobicContact CE2-CD2 4.28Å; F287-F291 AromaticContact CE2-CE2 3.62Å; F287-F291 HydrophobicContact CE2-CE2 3.62Å; F287-F291 HydrophobicContact CE2-CZ 4.34Å; F287-F291 HydrophobicContact CZ-CD2 4.11Å; F287-F291 AromaticContact CZ-CE2 3.7Å; F287-F291 HydrophobicContact CZ-CE2 3.7Å; F287-F291 HydrophobicContact CZ-CZ 4.27Å; F287-F291 WeakPolarHBondContact O-CD2 3.45Å; F287-F291 PolarHBondContact O-N 3.07Å
288	C	52	Low	44.7	Very low	18 Å²	18	93.1 Å²	93.1	12%	0.122	51%	0.512	C	S	.	.	H	α-helix	trans	-54.9	-44.4	179	-71.4	0	0	0	0	112.8	A284 A285 V290 F291 Y292	A284-C288 PolarHBondContact O-N 2.91Å; A284-C288 PolarHBondContact O-SG 3.46Å; A285-C288 PolarHBondContact O-N 3.4Å; C288-V290 PolarHBondContact O-N 3.06Å; C288-F291 PolarHBondContact O-N 3.25Å; C288-Y292 HydrophobicContact CB-CD2 3.81Å; C288-Y292 HydrophobicContact CB-CE2 4.08Å; C288-Y292 WeakPolarHBondContact O-CB 3.44Å; C288-Y292 WeakPolarHBondContact O-CD2 3.24Å; C288-Y292 PolarHBondContact O-N 3.32Å
289	D	53	Low	44.4	Very low	87 Å²	87	94.9 Å²	94.9	47%	0.465	51%	0.513	S	S	.	.	H	α-helix	trans	-64.9	-39.1	-175.5	-144.6	26.2	0	0	0	112	A285 F287 F291 Q293	A285-D289 WeakPolarHBondContact O-CB 3.24Å; A285-D289 PolarHBondContact O-N 3.22Å; F287-D289 VanDerWaalsContact C-N 3.32Å; F287-D289 PolarHBondContact O-N 2.87Å; D289-F291 PolarHBondContact O-N 3.31Å; D289-Q293 WeakPolarHBondContact O-CB 3.41Å; D289-Q293 WeakPolarHBondContact O-CG 3.47Å; D289-Q293 PolarHBondContact O-N 3.13Å; D289-Q293 VanDerWaalsContact OD1-CG 3.27Å; D289-Q293 WeakPolarHBondContact OD1-CG 3.49Å; D289-Q293 PolarHBondContact OD1-NE2 2.86Å; D289-Q293 PolarHBondContact OD2-NE2 3.08Å
290	V	54	Low	44.4	Very low	86 Å²	86	93.7 Å²	93.7	52%	0.521	51%	0.511	S	S	.	.	H	α-helix	trans	-65.3	-22.8	177.4	170.5	0	0	0	0	113.2	T286 F287 C288 K560	T286-V290 WeakPolarHBondContact O-CG2 3.44Å; T286-V290 PolarHBondContact O-N 2.9Å; F287-V290 PolarHBondContact O-N 3.11Å; C288-V290 PolarHBondContact O-N 3.06Å; V290-K560 VanDerWaalsContact O-CE 3.29Å; V290-K560 WeakPolarHBondContact O-CE 3.17Å; V290-K560 PolarHBondContact O-NZ 3.24Å
291	F	54.8	Low	43.7	Very low	43 Å²	43	94 Å²	94	19%	0.189	51%	0.513	C	S	.	.	H	α-helix	trans	-104.6	-30.8	179.4	-74.7	-91.9	0	0	0	114	F287 C288 D289 K560 L563	F287-F291 HydrophobicContact CD1-CD2 4.39Å; F287-F291 HydrophobicContact CD2-CD2 4.49Å; F287-F291 HydrophobicContact CD2-CE2 4.08Å; F287-F291 HydrophobicContact CE1-CD2 4.17Å; F287-F291 HydrophobicContact CE1-CE2 4.23Å; F287-F291 HydrophobicContact CE2-CD2 4.28Å; F287-F291 AromaticContact CE2-CE2 3.62Å; F287-F291 HydrophobicContact CE2-CE2 3.62Å; F287-F291 HydrophobicContact CE2-CZ 4.34Å; F287-F291 HydrophobicContact CZ-CD2 4.11Å; F287-F291 AromaticContact CZ-CE2 3.7Å; F287-F291 HydrophobicContact CZ-CE2 3.7Å; F287-F291 HydrophobicContact CZ-CZ 4.27Å; F287-F291 WeakPolarHBondContact O-CD2 3.45Å; F287-F291 PolarHBondContact O-N 3.07Å; C288-F291 PolarHBondContact O-N 3.25Å; D289-F291 PolarHBondContact O-N 3.31Å; F291-K560 HydrophobicContact CD1-CG 3.55Å; F291-K560 HydrophobicContact CE1-CG 3.62Å; F291-L563 HydrophobicContact CB-CD2 3.83Å; F291-L563 HydrophobicContact CD1-CD2 3.79Å; F291-L563 HydrophobicContact CG-CD2 3.99Å
292	Y	57.3	Low	43.5	Very low	35 Å²	35	91.4 Å²	91.4	14%	0.137	51%	0.507	C	S	.	.	H	α-helix	trans	-104	-1.4	-171.3	-59	-57	0	0	0	116	C288 I295 L563 Y567	C288-Y292 HydrophobicContact CB-CD2 3.81Å; C288-Y292 HydrophobicContact CB-CE2 4.08Å; C288-Y292 WeakPolarHBondContact O-CB 3.44Å; C288-Y292 WeakPolarHBondContact O-CD2 3.24Å; C288-Y292 PolarHBondContact O-N 3.32Å; Y292-I295 HydrophobicContact CD1-CD1 3.72Å; Y292-L563 HydrophobicContact CE1-CD1 4.2Å; Y292-L563 HydrophobicContact CE1-CD2 4.1Å; Y292-L563 HydrophobicContact CE1-CG 3.96Å; Y292-Y567 AromaticContact CD1-CD2 3.4Å; Y292-Y567 HydrophobicContact CD1-CD2 3.4Å; Y292-Y567 AromaticContact CD1-CE2 3.45Å; Y292-Y567 HydrophobicContact CD1-CE2 3.45Å; Y292-Y567 VanDerWaalsContact CD1-CE2 3.45Å; Y292-Y567 HydrophobicContact CD1-CG 4.1Å; Y292-Y567 AromaticContact CE1-CD2 3.3Å; Y292-Y567 HydrophobicContact CE1-CD2 3.3Å; Y292-Y567 AromaticContact CE1-CE2 3.75Å; Y292-Y567 HydrophobicContact CE1-CE2 3.75Å; Y292-Y567 HydrophobicContact CE1-CG 4.1Å; Y292-Y567 HydrophobicContact CG-CD2 4.33Å; Y292-Y567 AromaticContact CG-CE2 3.95Å; Y292-Y567 HydrophobicContact CG-CE2 3.95Å
293	Q	52.1	Low	43.2	Very low	112 Å²	112	88.9 Å²	88.9	52%	0.523	51%	0.506	S	S	.	.	S	Bend	trans	-74.7	-45.3	174.6	-79.6	-168.5	4.8	0	0	114	D289 I295	D289-Q293 WeakPolarHBondContact O-CB 3.41Å; D289-Q293 WeakPolarHBondContact O-CG 3.47Å; D289-Q293 PolarHBondContact O-N 3.13Å; D289-Q293 VanDerWaalsContact OD1-CG 3.27Å; D289-Q293 WeakPolarHBondContact OD1-CG 3.49Å; D289-Q293 PolarHBondContact OD1-NE2 2.86Å; D289-Q293 PolarHBondContact OD2-NE2 3.08Å; Q293-I295 PolarHBondContact O-N 3.02Å; Q293-I295 VanDerWaalsContact O-N 3.11Å
294	D	49.1	Very low	42.6	Very low	100 Å²	100	92 Å²	92	54%	0.535	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-62.9	-21.8	-174.1	-73.5	-45.6	0	0	0	113.9	V296 N297 K560	D294-V296 VanDerWaalsContact C-N 3.29Å; D294-V296 PolarHBondContact O-N 3.45Å; D294-N297 PolarHBondContact O-N 3.49Å; D294-K560 IonicContact OD2-NZ 2.8Å; D294-K560 PolarHBondContact OD2-NZ 2.7Å
295	I	54.9	Low	41.8	Very low	10 Å²	10	97.6 Å²	97.6	5%	0.051	55%	0.547	C	S	.	.	G	3₁₀ helix	trans	-62.2	-29.2	-166.8	-54.6	-165.1	0	0	0	113.8	Y292 Q293 T298 N564 Y567 L568	Y292-I295 HydrophobicContact CD1-CD1 3.72Å; Q293-I295 PolarHBondContact O-N 3.02Å; Q293-I295 VanDerWaalsContact O-N 3.11Å; I295-T298 PolarHBondContact O-OG1 3.49Å; I295-N564 HydrophobicContact CD1-CB 4.29Å; I295-Y567 HydrophobicContact CD1-CD1 3.72Å; I295-Y567 HydrophobicContact CD1-CD2 4.46Å; I295-Y567 HydrophobicContact CD1-CE1 4.07Å; I295-Y567 HydrophobicContact CD1-CG 3.91Å; I295-Y567 HydrophobicContact CG2-CD1 3.98Å; I295-Y567 HydrophobicContact CG2-CE1 4.09Å; I295-L568 HydrophobicContact CG2-CD2 4.16Å; I295-L568 HydrophobicContact CG2-CG 4.41Å
296	V	48.5	Very low	41.7	Very low	63 Å²	63	99.9 Å²	99.9	38%	0.382	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-94.4	-4.2	-173.9	-92.3	0	0	0	0	114.9	D294	D294-V296 VanDerWaalsContact C-N 3.29Å; D294-V296 PolarHBondContact O-N 3.45Å
297	N	39.8	Very low	40.7	Very low	145 Å²	145	102.5 Å²	102.5	78%	0.775	58%	0.577	S	S	*	*	S	Bend	trans	-92.7	-11	178.2	-78.8	-26.8	0	0	0	114.1	D294 K299	D294-N297 PolarHBondContact O-N 3.49Å; N297-K299 PolarHBondContact O-N 2.95Å; N297-K299 VanDerWaalsContact O-N 3.11Å
298	T	36.1	Very low	39.7	Very low	102 Å²	102	100.4 Å²	100.4	63%	0.626	59%	0.588	S	S	*	*	S	Bend	trans	-75.1	97.9	174.9	36	0	0	0	0	111.8	I295 V300	I295-T298 PolarHBondContact O-OG1 3.49Å; T298-V300 PolarHBondContact O-N 3.08Å
299	K	28.4	Very low	38.7	Very low	201 Å²	201	109.3 Å²	109.3	87%	0.874	63%	0.628	S	S	*	*			trans	-60.2	119.8	179.8	-166.2	175.4	-175.5	179.3	0	111.9	N297 T301	N297-K299 PolarHBondContact O-N 2.95Å; N297-K299 VanDerWaalsContact O-N 3.11Å; K299-T301 PolarHBondContact O-N 2.9Å
300	V	30.2	Very low	37.4	Very low	132 Å²	132	109 Å²	109	80%	0.8	64%	0.644	S	S	*	*			trans	-57.4	130.3	-175.1	180	0	0	0	0	112.3	T298	T298-V300 PolarHBondContact O-N 3.08Å
301	T	26	Very low	36.2	Very low	134 Å²	134	113.1 Å²	113.1	82%	0.822	66%	0.664	S	S	*	*			trans	-125	121.1	159.6	-54.8	0	0	0	0	107.8	K299	K299-T301 PolarHBondContact O-N 2.9Å
302	S	29.5	Very low	34.8	Very low	101 Å²	101	114.4 Å²	114.4	71%	0.706	69%	0.689	S	S	*	*			trans	-83.8	138.2	-169.4	51.3	0	0	0	0	113.7
303	V	26.5	Very low	33.4	Very low	131 Å²	131	116.3 Å²	116.3	79%	0.794	72%	0.72	S	S	*	*			trans	-93.5	144.8	168	177.4	0	0	0	0	110.1
304	T	25.4	Very low	32.2	Very low	131 Å²	131	119 Å²	119	80%	0.804	74%	0.738	S	S	*	*			trans	-149.2	134.9	172	-55.7	0	0	0	0	110.6
305	L	27.2	Very low	31.2	Very low	152 Å²	152	120 Å²	120	80%	0.796	75%	0.752	S	S	*	*			trans	-159.9	164.6	-176.8	-93	172.6	0	0	0	108.1
306	P	39.5	Very low	30	Very low	114 Å²	114	127.9 Å²	127.9	74%	0.74	79%	0.794	S	S	*	*			cis	-133.7	-173.6	-2.3	40.2	-23.3	0	0	0	115.7
307	C	24.7	Very low	29.1	Very low	139 Å²	139	129 Å²	129	94%	0.939	81%	0.81	S	S	*	*			trans	94.3	146.5	153.3	-151.5	0	0	0	0	118.5
308	G	25.5	Very low	28.5	Very low	72 Å²	72	130.7 Å²	130.7	74%	0.742	81%	0.813	S	S	*	*			trans	134.1	41.1	172.3	0	0	0	0	0	118.8	G310	G308-G310 PolarHBondContact O-N 3.22Å
309	Q	29.4	Very low	28.5	Very low	206 Å²	206	133 Å²	133	96%	0.963	82%	0.82	S	S	*	*			trans	-26.1	121.5	173.7	-174.5	174.6	11.3	0	0	117.8
310	G	26.2	Very low	28.4	Very low	79 Å²	79	128.6 Å²	128.6	81%	0.814	81%	0.814	S	S	*	*			trans	-162.2	140.9	171.6	0	0	0	0	0	112.4	G308	G308-G310 PolarHBondContact O-N 3.22Å
311	N	28.2	Very low	28.3	Very low	174 Å²	174	130.4 Å²	130.4	93%	0.93	81%	0.814	S	S	*	*			trans	-112.5	134.9	-167	178.5	34.4	0	0	0	114.2
312	G	27.3	Very low	28.5	Very low	69 Å²	69	133.5 Å²	133.5	71%	0.711	82%	0.816	S	S	*	*			trans	113.9	140.9	150.1	0	0	0	0	0	117.1
313	G	27.1	Very low	28.9	Very low	76 Å²	76	133.7 Å²	133.7	78%	0.784	81%	0.814	S	S	*	*			trans	117	84.7	154.5	0	0	0	0	0	117.7
314	N	27	Very low	28.9	Very low	169 Å²	169	132.9 Å²	132.9	90%	0.904	81%	0.81	S	S	*	*			trans	-29.1	129.7	163.4	-47.9	-12.4	0	0	0	116.6
315	S	28.6	Very low	29.1	Very low	119 Å²	119	136.7 Å²	136.7	83%	0.832	82%	0.815	S	S	*	*				168.3	139.5	122.6	-170.4	0	0	0	0	110.9
316	L	27.9	Very low	29.3	Very low	177 Å²	177	134.9 Å²	134.9	93%	0.927	81%	0.811	S	S	*	*			trans	-147.9	115.2	171.6	-172.2	77.1	0	0	0	110.9
317	A	31.3	Very low	29.1	Very low	87 Å²	87	135.5 Å²	135.5	72%	0.719	82%	0.815	S	S	*	*			trans	-160.9	93.4	173.1	0	0	0	0	0	112.6
318	E	27.1	Very low	29.2	Very low	180 Å²	180	137.5 Å²	137.5	84%	0.841	81%	0.813	S	S	*	*			trans	-162.6	105.5	157.7	-108.3	173	146.5	0	0	106.6
319	I	35.1	Very low	29.5	Very low	151 Å²	151	141.3 Å²	141.3	77%	0.774	81%	0.811	S	S	*	*				69.5	102.7	76.6	-59.7	163.2	0	0	0	113.1
320	S	25.7	Very low	29.4	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	81%	0.807	S	S	*	*			trans	-167.7	111.4	139.7	-163.3	0	0	0	0	113.8
321	H	29.4	Very low	29.8	Very low	170 Å²	170	142.9 Å²	142.9	79%	0.787	80%	0.802	S	S	*	*			trans	32.6	117.5	151.9	-53.7	-65	0	0	0	124.8
322	K	29.6	Very low	29.9	Very low	199 Å²	199	141.4 Å²	141.4	87%	0.865	79%	0.794	S	S	*	*			trans	-58.2	174.4	146.1	-107	-175.6	176.2	178.5	0	112.2
323	P	37.2	Very low	30	Very low	104 Å²	104	146.1 Å²	146.1	68%	0.675	80%	0.802	S	S	*	*			cis	-141.3	175.3	19.2	42.7	-24	0	0	0	118.7
324	T	27.3	Very low	30.2	Very low	114 Å²	114	147.3 Å²	147.3	70%	0.699	80%	0.798	S	S	*	*			trans	45.3	127.8	146.3	-53.6	0	0	0	0	121.9	T326	T324-T326 HydrophobicContact CG2-CG2 4.4Å
325	F	29.4	Very low	30.3	Very low	211 Å²	211	145.1 Å²	145.1	93%	0.925	79%	0.793	S	S	*	*			trans	-119.4	139.5	154.1	-89	-91	0	0	0	110.9
326	T	31.6	Very low	30.2	Very low	114 Å²	114	149.5 Å²	149.5	70%	0.699	79%	0.792	S	S	*	*			trans	-119.1	150.7	165.2	46.2	0	0	0	0	108.8	T324	T324-T326 HydrophobicContact CG2-CG2 4.4Å
327	P	34.7	Very low	30.3	Very low	128 Å²	128	148.1 Å²	148.1	83%	0.831	78%	0.78	S	S	*	*			trans	-68.2	149.8	177.8	30.3	-35.2	0	0	0	111.1
328	M	27.6	Very low	30.2	Very low	181 Å²	181	148 Å²	148	89%	0.892	78%	0.779	S	S	*	*			trans	-112.5	123.3	175	-163.2	84.6	-171.3	0	0	109
329	E	31.5	Very low	30.1	Very low	151 Å²	151	150 Å²	150	71%	0.706	79%	0.785	S	S	*	*			trans	-74	162.2	167.8	-62.4	177	149.6	0	0	110.9
330	L	28.5	Very low	30	Very low	168 Å²	168	150 Å²	150	88%	0.88	79%	0.787	S	S	*	*			trans	-154.2	99.7	148.8	-117.3	162.2	0	0	0	110
331	H	34.1	Very low	30.1	Very low	150 Å²	150	155.8 Å²	155.8	69%	0.694	79%	0.793	S	S	*	*			trans	-72.6	145.6	161.2	-68.9	-97.1	0	0	0	109.4
332	D	29.8	Very low	30	Very low	143 Å²	143	150.8 Å²	150.8	77%	0.765	79%	0.787	S	S	*	*				-165.4	152.9	107.2	-142.4	-23.3	0	0	0	112.9
333	L	28.8	Very low	29.9	Very low	168 Å²	168	148.8 Å²	148.8	88%	0.88	79%	0.786	S	S	*	*			trans	154	68.3	151.5	-82	-157.1	0	0	0	109.5
334	S	31	Very low	29.5	Very low	101 Å²	101	152.7 Å²	152.7	71%	0.706	79%	0.792	S	S	*	*			trans	-83.5	136.6	162.4	178.2	0	0	0	0	111
335	P	29.4	Very low	29.6	Very low	124 Å²	124	152.4 Å²	152.4	81%	0.805	79%	0.79	S	S	*	*			trans	-97.5	123.3	153.9	-6.8	26.3	0	0	0	110
336	R	27.3	Very low	29.5	Very low	211 Å²	211	150 Å²	150	80%	0.796	78%	0.781	S	S	*	*			trans	-106.3	111	176.7	179.8	175.5	179.3	-162.8	-2.5	111.6
337	E	30.1	Very low	29.4	Very low	147 Å²	147	151.2 Å²	151.2	69%	0.687	78%	0.783	S	S	*	*			trans	59.9	132.1	132.5	-154.5	169.6	-137.1	0	0	120.9
338	A	28.4	Very low	29	Very low	85 Å²	85	151 Å²	151	70%	0.702	77%	0.772	S	S	*	*			trans	67.8	116.6	159.2	0	0	0	0	0	120.5
339	F	26.7	Very low	30	Very low	221 Å²	221	146.9 Å²	146.9	97%	0.969	76%	0.758	S	S	*	*				-146.6	156	114.1	-102.6	-71	0	0	0	110.3
340	D	32.8	Very low	29.9	Very low	151 Å²	151	146.3 Å²	146.3	81%	0.807	76%	0.756	S	S	*	*			trans	-125.1	166.6	-172.8	178.1	26.8	0	0	0	110.3
341	R	26.8	Very low	30.2	Very low	231 Å²	231	146 Å²	146	87%	0.872	75%	0.748	S	S	*	*			trans	98.1	120.4	172	-168.4	-165.5	-50.6	-89.5	-10.7	117.4
342	G	26.6	Very low	31.3	Very low	64 Å²	64	144 Å²	144	66%	0.66	75%	0.748	S	S	*	*				141.6	73.6	127	0	0	0	0	0	121.5
343	N	29	Very low	31.3	Very low	158 Å²	158	144 Å²	144	85%	0.845	75%	0.748	S	S	*	*			trans	53.6	137.6	134.9	-70.2	-4.8	0	0	0	123.7
344	K	28.3	Very low	32	Very low	186 Å²	186	140.9 Å²	140.9	81%	0.809	74%	0.74	S	S	*	*			trans	84.4	130.2	151.9	-73.7	-168.7	172.6	-161.6	0	118.2
345	T	28.3	Very low	32.2	Very low	107 Å²	107	142.6 Å²	142.6	66%	0.656	74%	0.742	S	S	*	*			cis	82	124.3	48.9	-59.4	0	0	0	0	109.6
346	E	28.3	Very low	33.2	Very low	160 Å²	160	142 Å²	142	75%	0.748	74%	0.74	S	S	*	*			cis	-166.9	166.7	39.5	-137.6	147.6	-138.8	0	0	113.7
347	I	29.1	Very low	33.7	Very low	141 Å²	141	135.2 Å²	135.2	72%	0.723	74%	0.736	S	S	*	*			trans	61.3	127.7	149.9	-76.3	156.2	0	0	0	119.5
348	M	26.3	Very low	34	Very low	123 Å²	123	135.3 Å²	135.3	61%	0.606	75%	0.747	S	S	*	*				67.8	165.9	53	-102.6	-161	106.7	0	0	115.1	F351	M348-F351 HydrophobicContact CE-CE1 4.27Å; M348-F351 HydrophobicContact CE-CE2 4.07Å; M348-F351 HydrophobicContact CE-CZ 3.84Å
349	P	49.1	Very low	34.5	Very low	94 Å²	94	137 Å²	137	61%	0.61	75%	0.753	S	S	*	*			cis	-93	-159	5.4	42.2	-36.6	0	0	0	112.9
350	E	28.3	Very low	34.9	Very low	140 Å²	140	132.7 Å²	132.7	65%	0.654	74%	0.744	S	S	*	*			cis	-147	-132.5	9.7	-159.1	72.7	-91	0	0	111.8
351	F	36.6	Very low	34.8	Very low	161 Å²	161	134.9 Å²	134.9	71%	0.706	75%	0.75	S	S	*	*			trans	-156.4	171.8	-157.4	-68.5	-64.4	0	0	0	113	M348	M348-F351 HydrophobicContact CE-CE1 4.27Å; M348-F351 HydrophobicContact CE-CE2 4.07Å; M348-F351 HydrophobicContact CE-CZ 3.84Å
352	P	55.8	Low	35.2	Very low	109 Å²	109	128.2 Å²	128.2	71%	0.708	74%	0.744	S	S	*	*			cis	-127.8	-149.8	-36.2	36.2	-15.3	0	0	0	109
353	D	29.7	Very low	35.5	Very low	142 Å²	142	130.5 Å²	130.5	76%	0.759	75%	0.75	S	S	*	*			cis	-160.2	174.8	-5	-140.6	-32.8	0	0	0	110.2
354	S	44	Very low	36.5	Very low	102 Å²	102	128 Å²	128	71%	0.713	74%	0.743	S	S	*	*			trans	54.4	135.2	156.2	-66.8	0	0	0	0	121
355	D	36	Very low	36.5	Very low	138 Å²	138	128.1 Å²	128.1	74%	0.738	75%	0.746	S	S	*	*			cis	-159.4	156.9	-2.9	-160	-23.7	0	0	0	109.6
356	S	49.3	Very low	36.7	Very low	111 Å²	111	128 Å²	128	78%	0.776	76%	0.756	S	S	*	*			trans	31.9	134	160	-63.4	0	0	0	0	120.9
357	G	37.6	Very low	36.7	Very low	69 Å²	69	126.4 Å²	126.4	71%	0.711	76%	0.762	S	S	*	*			cis	114.2	139.3	33.1	0	0	0	0	0	109.2
358	V	36.2	Very low	37	Very low	149 Å²	149	124.9 Å²	124.9	90%	0.903	76%	0.764	S	S	*	*			cis	-152.9	170.3	12.9	-70.4	0	0	0	0	111.3
359	S	39	Very low	37.8	Very low	119 Å²	119	125.1 Å²	125.1	83%	0.832	78%	0.775	S	S	*	*			trans	-141.6	168.2	172.3	-173.5	0	0	0	0	110.9
360	V	36.4	Very low	37	Very low	131 Å²	131	128.2 Å²	128.2	79%	0.794	78%	0.781	S	S	*	*			trans	-143.2	116.8	-175.3	-162.2	0	0	0	0	113.5
361	E	31.1	Very low	37.3	Very low	198 Å²	198	129.8 Å²	129.8	93%	0.925	79%	0.785	S	S	*	*			trans	-137.5	-178.7	154.9	-86.6	-152.9	157.2	0	0	109.6
362	A	34	Very low	37	Very low	90 Å²	90	127.9 Å²	127.9	74%	0.744	79%	0.792	S	S	*	*			trans	-124.1	163.2	-140.2	0	0	0	0	0	119
363	S	32.7	Very low	36	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	80%	0.797	S	S	*	*			trans	83.1	179.2	156.5	-47.6	0	0	0	0	117.2
364	P	51.1	Low	36.2	Very low	106 Å²	106	135.1 Å²	135.1	69%	0.688	81%	0.805	S	S	*	*				-135.4	-179.8	-82	41.3	-25.1	0	0	0	116.8
365	H	28.5	Very low	35.6	Very low	188 Å²	188	133.6 Å²	133.6	87%	0.87	81%	0.806	S	S	*	*			trans	71.2	122.8	164.9	-67.6	-68.5	0	0	0	121.6
366	A	31	Very low	35.5	Very low	105 Å²	105	135.6 Å²	135.6	87%	0.868	82%	0.817	S	S	*	*			trans	-166.7	170.5	139.7	0	0	0	0	0	111.1
367	S	29.9	Very low	34.6	Very low	125 Å²	125	133.8 Å²	133.8	87%	0.874	82%	0.815	S	S	*	*			trans	-112.2	170.7	-165.1	-63.7	0	0	0	0	116.9
368	S	34.3	Very low	34.7	Very low	110 Å²	110	136.2 Å²	136.2	77%	0.769	82%	0.821	S	S	*	*			trans	-70.6	167.7	-176.3	-31.4	0	0	0	0	116.9
369	P	43.4	Very low	34.5	Very low	128 Å²	128	138.7 Å²	138.7	83%	0.831	82%	0.821	S	S	*	*			trans	-98.7	168.6	151.4	37.2	-30.7	0	0	0	113
370	E	31.4	Very low	34.3	Very low	158 Å²	158	135.8 Å²	135.8	74%	0.738	81%	0.809	S	S	*	*			trans	-124.4	169.4	-171.6	-58.8	-177.8	97.8	0	0	114.6
371	K	36.3	Very low	34.1	Very low	173 Å²	173	132.4 Å²	132.4	75%	0.752	80%	0.801	S	S	*	*			trans	81.4	125.3	152.1	-39.1	-170.5	-176.2	163.7	0	121.6
372	S	30	Very low	34.5	Very low	122 Å²	122	134.1 Å²	134.1	85%	0.853	80%	0.8	S	S	*	*				-143.6	170.9	123.2	66.2	0	0	0	0	109.8
373	M	34.8	Very low	35.3	Very low	162 Å²	162	135.5 Å²	135.5	80%	0.798	81%	0.805	S	S	*	*			trans	-126.9	-177.5	-173.2	-84.4	172.3	56.6	0	0	111.7
374	Y	34.1	Very low	35.2	Very low	240 Å²	240	136.9 Å²	136.9	94%	0.941	80%	0.804	S	S	*	*			trans	80.1	140.4	-172.3	-48.6	-73.8	0	0	0	114.4
375	G	31.5	Very low	34.8	Very low	71 Å²	71	136.4 Å²	136.4	73%	0.732	80%	0.802	S	S	*	*			cis	160.3	116.6	-12.4	0	0	0	0	0	115
376	D	32.1	Very low	35.1	Very low	180 Å²	180	134.1 Å²	134.1	96%	0.963	80%	0.797	S	S	*	*			trans	66.8	157	165.8	-158.9	20.8	0	0	0	119
377	G	30.9	Very low	35.9	Very low	72 Å²	72	136 Å²	136	74%	0.742	79%	0.79	S	S	*	*			trans	132	113.1	173.5	0	0	0	0	0	115.7
378	S	39.4	Very low	36.7	Very low	120 Å²	120	137 Å²	137	84%	0.839	78%	0.78	S	S	*	*			trans	-120.1	150.1	178.3	171.9	0	0	0	0	111.8
379	F	32.5	Very low	36.9	Very low	202 Å²	202	140.6 Å²	140.6	89%	0.886	79%	0.785	S	S	*	*			trans	160.7	145.7	137.1	-172.5	-99.2	0	0	0	114.8
380	G	34.8	Very low	36.7	Very low	57 Å²	57	141.9 Å²	141.9	59%	0.588	78%	0.782	S	S	*	*			trans	84	142.6	169	0	0	0	0	0	114.9
381	G	32.5	Very low	36.9	Very low	61 Å²	61	142 Å²	142	63%	0.629	79%	0.787	S	S	*	*			cis	103.3	126.5	35.1	0	0	0	0	0	108.2
382	Y	39.8	Very low	37.2	Very low	233 Å²	233	137 Å²	137	91%	0.914	77%	0.774	S	S	*	*			cis	-149.1	-173.5	29.3	-39.8	-81.1	0	0	0	111.4
383	S	49.6	Very low	37.4	Very low	120 Å²	120	138.5 Å²	138.5	84%	0.839	77%	0.773	S	S	*	*			trans	-147.6	144.8	-174.7	177.2	0	0	0	0	113.3
384	D	31.1	Very low	37.9	Very low	142 Å²	142	135.7 Å²	135.7	76%	0.759	77%	0.766	S	S	*	*			trans	-162.5	131.5	162.4	-126.7	-13	0	0	0	105.1
385	S	42.7	Very low	37.6	Very low	95 Å²	95	132.7 Å²	132.7	66%	0.664	76%	0.761	S	S	*	*			cis	72.3	136.1	42.1	116.8	0	0	0	0	113.4
386	D	34.8	Very low	37.5	Very low	141 Å²	141	134.6 Å²	134.6	75%	0.754	76%	0.763	S	S	*	*			cis	-146.6	-154.4	-2.3	-151.4	32.2	0	0	0	109.2
387	M	47.5	Very low	37.6	Very low	145 Å²	145	130.6 Å²	130.6	71%	0.714	76%	0.755	S	S	*	*			cis	-166.9	136.1	13.3	-156.2	-142.9	171	0	0	110.9
388	E	46.9	Very low	37.8	Very low	146 Å²	146	136.6 Å²	136.6	68%	0.682	76%	0.764	S	S	*	*			trans	52.1	165.8	163.3	-59.5	-52.8	153.7	0	0	121.2
389	E	39	Very low	37.5	Very low	185 Å²	185	136.4 Å²	136.4	86%	0.864	76%	0.762	S	S	*	*			cis	-137.1	157.6	1.4	-158.1	174.4	177.5	0	0	111.1
390	M	39.6	Very low	37.4	Very low	155 Å²	155	133.7 Å²	133.7	76%	0.764	76%	0.757	S	S	*	*			trans	-109.2	143.5	-175.1	-168.7	87.7	156.4	0	0	112.4	S392	M390-S392 WeakPolarHBondContact CE-OG 3.39Å; M390-S392 WeakPolarHBondContact CG-OG 3.29Å
391	D	35.8	Very low	37.3	Very low	159 Å²	159	140 Å²	140	85%	0.85	77%	0.765	S	S	*	*			trans	-135	158	149.9	-161.5	3.6	0	0	0	109.1
392	S	42	Very low	37.5	Very low	68 Å²	68	142.5 Å²	142.5	48%	0.476	77%	0.772	S	S	.	*			trans	-153.7	166.1	-156.3	-74.8	0	0	0	0	116.5	M390	M390-S392 WeakPolarHBondContact CE-OG 3.39Å; M390-S392 WeakPolarHBondContact CG-OG 3.29Å
393	N	33.9	Very low	37.3	Very low	155 Å²	155	139.9 Å²	139.9	83%	0.829	77%	0.768	S	S	*	*			trans	81.7	155.2	164.3	-99.5	23.3	0	0	0	117.7
394	P	46.2	Very low	36.6	Very low	102 Å²	102	140 Å²	140	66%	0.662	76%	0.757	S	S	*	*				-143.6	-144.5	-120.1	40.3	-16	0	0	0	113
395	E	25.7	Very low	36.7	Very low	177 Å²	177	141.7 Å²	141.7	83%	0.827	76%	0.758	S	S	*	*			trans	90.3	121.3	149.4	-161.4	165.4	-173.3	0	0	119.2
396	S	31	Very low	36.1	Very low	111 Å²	111	142.8 Å²	142.8	78%	0.776	77%	0.766	S	S	*	*			trans	57.2	108.8	152.3	-161.2	0	0	0	0	121.2
397	A	34.1	Very low	35.9	Very low	97 Å²	97	143.2 Å²	143.2	80%	0.802	77%	0.767	S	S	*	*				-158.9	123	129.7	0	0	0	0	0	110.6
398	E	34.1	Very low	35.1	Very low	198 Å²	198	142.1 Å²	142.1	93%	0.925	77%	0.774	S	S	*	*			trans	-89.9	138.7	163.8	-61	175.9	137.3	0	0	109.1
399	S	33.2	Very low	34.3	Very low	115 Å²	115	144.5 Å²	144.5	80%	0.804	78%	0.782	S	S	*	*			trans	-161.6	137.6	163.9	64.6	0	0	0	0	112.6
400	D	31.8	Very low	33.8	Very low	146 Å²	146	144.8 Å²	144.8	78%	0.781	78%	0.784	S	S	*	*			trans	-55.3	150.4	-179.7	-65.1	-80.2	0	0	0	115.8
401	Y	32.4	Very low	33.8	Very low	190 Å²	190	142.5 Å²	142.5	75%	0.745	78%	0.78	S	S	*	*			trans	-146.5	62.1	145.7	-145.7	-85.5	0	0	0	112	M404	Y401-M404 HydrophobicContact CE1-CE 3.99Å; Y401-M404 HydrophobicContact CE1-CG 4Å; Y401-M404 HydrophobicContact CE1-SD 4.11Å
402	S	36.1	Very low	33.3	Very low	112 Å²	112	142.4 Å²	142.4	78%	0.783	78%	0.78	S	S	*	*			trans	-115.3	39.7	-177.3	-169.7	0	0	0	0	113.8
403	E	34.8	Very low	32.7	Very low	178 Å²	178	142 Å²	142	83%	0.832	79%	0.787	S	S	*	*			trans	-151.8	87	172.2	-148.9	171.4	-138.5	0	0	113.6
404	M	35.3	Very low	32.5	Very low	122 Å²	122	144.5 Å²	144.5	60%	0.601	79%	0.79	S	S	*	*			trans	-141.8	149.4	156.2	-69.8	-158.8	-54.1	0	0	109.7	Y401	Y401-M404 HydrophobicContact CE1-CE 3.99Å; Y401-M404 HydrophobicContact CE1-CG 4Å; Y401-M404 HydrophobicContact CE1-SD 4.11Å
405	F	33.6	Very low	31.7	Very low	178 Å²	178	147.6 Å²	147.6	78%	0.781	80%	0.796	S	S	*	*			trans	73.4	51	179.1	-47	-66.7	0	0	0	117.6
406	S	30.9	Very low	31.7	Very low	119 Å²	119	144.5 Å²	144.5	83%	0.832	79%	0.79	S	S	*	*			trans	-93.4	117.4	142.1	-75.6	0	0	0	0	109.1
407	L	29.5	Very low	31.8	Very low	149 Å²	149	144.2 Å²	144.2	78%	0.78	79%	0.787	S	S	*	*			trans	-126.2	95.1	177.8	-75.4	176.3	0	0	0	110.8
408	S	31.7	Very low	32.4	Very low	122 Å²	122	145.1 Å²	145.1	85%	0.853	79%	0.785	S	S	*	*			trans	-103.7	113.7	172.3	55.7	0	0	0	0	110.6
409	F	29.1	Very low	32.6	Very low	197 Å²	197	142 Å²	142	86%	0.864	78%	0.782	S	S	*	*			trans	-82.3	135.7	174.9	-89.2	-96.6	0	0	0	112.3
410	Q	29.9	Very low	32.3	Very low	190 Å²	190	143 Å²	143	89%	0.888	78%	0.783	S	S	*	*			trans	-149.3	157.9	145.7	-104	-166.5	-12.8	0	0	111.1
411	P	37.8	Very low	32.1	Very low	107 Å²	107	141.6 Å²	141.6	70%	0.695	78%	0.784	S	S	*	*			trans	-112.7	-169	-163.5	43.6	-35.5	0	0	0	115.5
412	D	27.1	Very low	31.9	Very low	158 Å²	158	136.4 Å²	136.4	85%	0.845	78%	0.781	S	S	*	*			trans	68.2	148.8	177.7	-65.9	-22.7	0	0	0	117.2
413	G	27.6	Very low	31.5	Very low	60 Å²	60	139.5 Å²	139.5	62%	0.619	78%	0.783	S	S	*	*			cis	170.9	156.5	-8.6	0	0	0	0	0	114
414	F	30.1	Very low	31.2	Very low	206 Å²	206	138.5 Å²	138.5	90%	0.904	78%	0.778	S	S	*	*			trans	78.5	172.6	167.5	-58.5	-77.5	0	0	0	120.9
415	Q	30.5	Very low	30.9	Very low	168 Å²	168	140.8 Å²	140.8	79%	0.785	79%	0.788	S	S	*	*			trans	-97.5	178	-158.2	-50.7	177.2	20.7	0	0	112.1
416	T	26.1	Very low	30.6	Very low	112 Å²	112	138.8 Å²	138.8	69%	0.687	79%	0.785	S	S	*	*			cis	-174.8	152.8	42.5	-27.7	0	0	0	0	112.5
417	S	31.7	Very low	30.6	Very low	104 Å²	104	142.3 Å²	142.3	73%	0.727	79%	0.785	S	S	*	*			trans	38.8	145.4	150.7	60.7	0	0	0	0	124.9
418	P	47	Very low	30.5	Very low	117 Å²	117	144.9 Å²	144.9	76%	0.76	79%	0.79	S	S	*	*			trans	-106	178.9	179.6	42.9	-37.3	0	0	0	115.7
419	P	38.2	Very low	30.8	Very low	131 Å²	131	143.9 Å²	143.9	85%	0.851	78%	0.781	S	S	*	*			trans	-127.1	176.9	149.8	37.7	-25.3	0	0	0	114.5
420	V	26.8	Very low	30.8	Very low	136 Å²	136	143.3 Å²	143.3	82%	0.824	78%	0.778	S	S	*	*			trans	-127.6	138.4	-162.2	172.6	0	0	0	0	113.5
421	S	27.4	Very low	30.8	Very low	117 Å²	117	142.5 Å²	142.5	82%	0.818	77%	0.774	S	S	*	*			trans	170.7	161	146.6	-81.8	0	0	0	0	111.6
422	A	28.1	Very low	30.3	Very low	81 Å²	81	140 Å²	140	67%	0.669	77%	0.768	S	S	*	*			cis	-175.8	167.4	-29.4	0	0	0	0	0	109.1
423	Q	28	Very low	30.4	Very low	178 Å²	178	142 Å²	142	83%	0.832	77%	0.769	S	S	*	*			trans	74.2	142.9	152.8	-148.1	172.9	2.2	0	0	118
424	Q	29.5	Very low	30.5	Very low	157 Å²	157	145 Å²	145	73%	0.734	78%	0.776	S	S	*	*			cis	-169.6	179.3	-29.4	-162	165.5	15.3	0	0	109.8
425	Q	28.8	Very low	30.3	Very low	170 Å²	170	142.8 Å²	142.8	79%	0.794	77%	0.768	S	S	*	*			trans	82.5	139.8	166.3	-64	-173.8	6.5	0	0	118.3
426	D	26.9	Very low	30.8	Very low	136 Å²	136	139.6 Å²	139.6	73%	0.727	76%	0.762	S	S	*	*			cis	-165.9	174.3	-24.2	-143.1	-44	0	0	0	112.1
427	K	31.6	Very low	30.9	Very low	193 Å²	193	141.1 Å²	141.1	84%	0.839	77%	0.766	S	S	*	*			trans	86.5	102.9	162.6	-64.6	164.8	-173.7	171.2	0	120.1
428	K	25.9	Very low	31	Very low	202 Å²	202	145.6 Å²	145.6	88%	0.878	78%	0.775	S	S	*	*			trans	-96.5	-164.8	155	-119.6	-173.2	-178.2	173.1	0	108.7
429	P	39.1	Very low	30.3	Very low	101 Å²	101	149 Å²	149	66%	0.656	78%	0.781	S	S	*	*			cis	-136.7	178.1	4.4	37.4	-17.2	0	0	0	118.5
430	K	27.8	Very low	30	Very low	186 Å²	186	149.3 Å²	149.3	81%	0.809	78%	0.781	S	S	*	*			trans	108.5	147.8	157.8	-64.9	170	-177.7	179.8	0	115.6
431	H	30.8	Very low	30.1	Very low	172 Å²	172	146 Å²	146	80%	0.796	78%	0.775	S	S	*	*			cis	-171.4	146.7	-35.8	-129.5	-76.4	0	0	0	108.1
432	G	27.6	Very low	30.5	Very low	56 Å²	56	148.5 Å²	148.5	58%	0.577	77%	0.773	S	S	*	*			cis	132.7	86.8	-10.8	0	0	0	0	0	114.1
433	K	29.6	Very low	30.9	Very low	199 Å²	199	152 Å²	152	87%	0.865	78%	0.781	S	S	*	*			trans	173.7	142.5	170.7	-98	172.9	-174.4	-171.5	0	106.5
434	T	29.4	Very low	31.4	Very low	123 Å²	123	150.3 Å²	150.3	76%	0.755	78%	0.777	S	S	*	*			cis	-154.2	147.7	4.9	-83.9	0	0	0	0	109.6
435	E	25.6	Very low	32.2	Very low	159 Å²	159	148.3 Å²	148.3	74%	0.743	78%	0.778	S	S	*	*			trans	-80.2	165.1	174.3	-73.8	-58	156.6	0	0	112.3
436	P	40.8	Very low	32.9	Very low	102 Å²	102	146.1 Å²	146.1	66%	0.662	78%	0.778	S	S	*	*			cis	-150.1	172	42.3	44.2	-23.8	0	0	0	120.6
437	D	27.5	Very low	33.8	Very low	144 Å²	144	148 Å²	148	77%	0.77	78%	0.78	S	S	*	*			trans	36.8	120	141.9	-55.1	-34.7	0	0	0	120.9
438	E	34.3	Very low	34.4	Very low	198 Å²	198	144.7 Å²	144.7	93%	0.925	78%	0.776	S	S	*	*				-163	161.3	102.6	-112.7	178.8	-161.3	0	0	112.1
439	E	31.7	Very low	35.4	Very low	187 Å²	187	143.7 Å²	143.7	87%	0.874	77%	0.772	S	S	*	*			trans	-82.3	137.4	-177	-61.7	-178.2	109.6	0	0	113.1
440	T	32.8	Very low	35.6	Very low	138 Å²	138	143.3 Å²	143.3	85%	0.847	77%	0.765	S	S	*	*			trans	-165.6	112.4	138.3	-75.3	0	0	0	0	109.1
441	G	29.2	Very low	36.6	Very low	68 Å²	68	143.8 Å²	143.8	70%	0.701	77%	0.767	S	S	*	*			trans	-87	125.9	173.9	0	0	0	0	0	112.2
442	H	36.6	Very low	37.6	Very low	169 Å²	169	143.8 Å²	143.8	78%	0.782	76%	0.764	S	S	*	*			trans	-124	121.6	161.9	-136.6	63.7	0	0	0	109.2
443	N	34.4	Very low	38.4	Very low	155 Å²	155	151.8 Å²	151.8	83%	0.829	78%	0.777	S	S	*	*			trans	-96	94.9	-177.7	-72.8	-82.1	0	0	0	109.2	P445	N443-P445 WeakPolarHBondContact O-CD 3.2Å
444	D	39.5	Very low	39	Very low	142 Å²	142	152.3 Å²	152.3	76%	0.759	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-65.2	122.2	171.3	-79.1	-40.4	0	0	0	110.5
445	P	46.8	Very low	39.5	Very low	115 Å²	115	155.4 Å²	155.4	75%	0.747	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-70.9	144.9	172.7	29.5	-33.6	0	0	0	110.8	N443	N443-P445 WeakPolarHBondContact O-CD 3.2Å
446	P	43	Very low	40.4	Very low	124 Å²	124	153.5 Å²	153.5	81%	0.805	78%	0.776	S	S	*	*	S	Bend	trans	-77.4	144.4	-165.7	29.7	-35.9	0	0	0	114.3
447	F	45.8	Very low	40.4	Very low	175 Å²	175	155.7 Å²	155.7	77%	0.768	78%	0.777	S	S	*	*			trans	60.6	64	151.5	-158.1	-98.3	0	0	0	117.3	K449	F447-K449 HydrophobicContact CE2-CD 4.45Å
448	T	44.9	Very low	41.5	Very low	123 Å²	123	156.3 Å²	156.3	76%	0.755	77%	0.773	S	S	*	*			trans	-101.7	120.6	133.5	56.1	0	0	0	0	108.1	D450	T448-D450 PolarHBondContact O-N 3.39Å
449	K	46.3	Very low	42.6	Very low	181 Å²	181	156.5 Å²	156.5	79%	0.787	77%	0.765	S	S	*	*			trans	-82.7	54.5	-179	-154.6	167.1	-168.6	169.3	0	110.8	F447 K451	F447-K449 HydrophobicContact CE2-CD 4.45Å; K449-K451 PolarHBondContact O-N 2.9Å
450	D	42.6	Very low	44.1	Very low	94 Å²	94	149.6 Å²	149.6	50%	0.503	73%	0.734	S	S	.	*			trans	-66.4	103.1	-167.7	-153.8	12.3	0	0	0	109.7	T448 K452	T448-D450 PolarHBondContact O-N 3.39Å; D450-K452 HydrophobicContact CB-CD 4.5Å; D450-K452 PolarHBondContact O-N 3.3Å; D450-K452 WeakPolarHBondContact OD2-CD 3.46Å; D450-K452 WeakPolarHBondContact OD2-CE 3.41Å; D450-K452 IonicContact OD2-NZ 2.86Å; D450-K452 PolarHBondContact OD2-NZ 3.01Å
451	K	49	Very low	46.2	Very low	195 Å²	195	146.1 Å²	146.1	85%	0.848	72%	0.716	S	S	*	*			trans	-81.2	54.5	-165.9	-154.5	173	-174	176.9	0	111.4	K449 R453	K449-K451 PolarHBondContact O-N 2.9Å; K451-R453 PolarHBondContact O-N 3.48Å
452	K	51.8	Low	48.9	Very low	173 Å²	173	148.9 Å²	148.9	75%	0.752	71%	0.705	S	S	*	*			trans	-68.4	53.8	-177	-78.3	171.7	164.2	147.3	0	113.7	D450	D450-K452 HydrophobicContact CB-CD 4.5Å; D450-K452 PolarHBondContact O-N 3.3Å; D450-K452 WeakPolarHBondContact OD2-CD 3.46Å; D450-K452 WeakPolarHBondContact OD2-CE 3.41Å; D450-K452 IonicContact OD2-NZ 2.86Å; D450-K452 PolarHBondContact OD2-NZ 3.01Å
453	R	45.7	Very low	51.3	Low	224 Å²	224	141.6 Å²	141.6	85%	0.845	67%	0.672	S	S	*	*	S	Bend	trans	-162.9	141.5	162.7	-113.6	174	176.6	-154.4	-2.4	110.4	K451	K451-R453 PolarHBondContact O-N 3.48Å
454	R	41.4	Very low	54	Low	209 Å²	209	136.5 Å²	136.5	79%	0.789	64%	0.643	S	S	*	*	S	Bend	trans	73.3	52.8	175.1	-53.1	-67	-173.6	175.5	0.5	117.5
455	R	40.4	Very low	56.3	Low	188 Å²	188	134.7 Å²	134.7	71%	0.709	63%	0.63	S	S	*	*			trans	-148.6	15.9	151	-125.3	-179.5	-155.1	173.9	10.2	116.6	E457	R455-E457 PolarHBondContact O-N 3.43Å
456	S	43.5	Very low	58.3	Low	120 Å²	120	134.5 Å²	134.5	84%	0.839	61%	0.614	S	S	*	*			trans	-68.5	-9.6	167.7	43.2	0	0	0	0	113.4	K458	S456-K458 PolarHBondContact O-N 3.4Å
457	E	40.8	Very low	60.6	Low	148 Å²	148	128.8 Å²	128.8	69%	0.692	58%	0.578	S	S	*	*	S	Bend	trans	-67.8	83	161.1	-77.8	162	-156.2	0	0	110.1	R455 R459	R455-E457 PolarHBondContact O-N 3.43Å; E457-R459 PolarHBondContact O-N 3.07Å
458	K	52.1	Low	62.7	Low	156 Å²	156	125.3 Å²	125.3	68%	0.678	56%	0.562	S	S	*	*			trans	17.4	83	146.1	-97.2	170.2	162	163.7	0	114.5	S456 L460	S456-K458 PolarHBondContact O-N 3.4Å; K458-L460 HydrophobicContact CB-CD2 3.7Å; K458-L460 HydrophobicContact CB-CG 4.23Å; K458-L460 HydrophobicContact CD-CD2 3.82Å; K458-L460 HydrophobicContact CG-CD2 3.8Å; K458-L460 PolarHBondContact O-N 3.16Å
459	R	55.5	Low	64.8	Low	202 Å²	202	123.2 Å²	123.2	76%	0.762	56%	0.557	S	S	*	*			trans	-68.2	77.2	148.6	-87.1	-167.6	163.6	-159.7	-7.1	107.8	E457 S461	E457-R459 PolarHBondContact O-N 3.07Å; R459-S461 PolarHBondContact O-N 2.82Å
460	L	63.2	Low	66.9	Low	43 Å²	43	118 Å²	118	23%	0.225	54%	0.538	C	S	.	.			trans	-47.8	129.7	173.5	-57.9	-179.4	0	0	0	108.4	K458 E464 Q465 K468	K458-L460 HydrophobicContact CB-CD2 3.7Å; K458-L460 HydrophobicContact CB-CG 4.23Å; K458-L460 HydrophobicContact CD-CD2 3.82Å; K458-L460 HydrophobicContact CG-CD2 3.8Å; K458-L460 PolarHBondContact O-N 3.16Å; L460-E464 WeakPolarHBondContact CA-OE2 3.34Å; L460-E464 HydrophobicContact CB-CB 4.39Å; L460-E464 HydrophobicContact CD2-CG 4.49Å; L460-E464 WeakPolarHBondContact CD2-OE1 3.39Å; L460-E464 WeakPolarHBondContact CD2-OE2 3.29Å; L460-Q465 HydrophobicContact CB-CG 3.51Å; L460-Q465 HydrophobicContact CD1-CG 4.17Å; L460-Q465 HydrophobicContact CG-CG 4.47Å; L460-Q465 PolarHBondContact O-NE2 3Å; L460-K468 HydrophobicContact CD1-CD 4.12Å
461	S	77.5	Confident	69.1	Low	65 Å²	65	121.4 Å²	121.4	46%	0.455	55%	0.55	S	S	.	*			trans	-53.1	148.3	173.9	171.5	0	0	0	0	109.6	R459 D463 E464 Q465	R459-S461 PolarHBondContact O-N 2.82Å; S461-D463 PolarHBondContact O-N 2.74Å; S461-E464 CarbonylContact O-C 3.58Å; S461-E464 WeakPolarHBondContact O-CA 3.15Å; S461-E464 WeakPolarHBondContact O-CB 3.41Å; S461-E464 PolarHBondContact O-N 3.29Å; S461-Q465 WeakPolarHBondContact O-CG 3.27Å; S461-Q465 PolarHBondContact O-N 2.99Å
462	R	85.3	Confident	71	Confident	126 Å²	126	112.9 Å²	112.9	48%	0.475	51%	0.514	S	S	.	.	H	α-helix	trans	-49.2	-36.4	177.2	-169.3	-167.2	74.6	175.6	3	111.8	R466	R462-R466 WeakPolarHBondContact O-CD 3.46Å; R462-R466 VanDerWaalsContact O-CG 3.22Å; R462-R466 WeakPolarHBondContact O-CG 3.38Å; R462-R466 PolarHBondContact O-N 3.16Å; R462-R466 VanDerWaalsContact O-N 3.11Å
463	D	88.1	Confident	72.7	Confident	15 Å²	15	108.1 Å²	108.1	8%	0.08	50%	0.501	C	S	.	.	H	α-helix	trans	-80.1	-27.9	179.4	-75	-2.6	0	0	0	112.8	S461 A467 I507 R510	S461-D463 PolarHBondContact O-N 2.74Å; D463-A467 VanDerWaalsContact O-CB 3.25Å; D463-A467 WeakPolarHBondContact O-CB 3.2Å; D463-A467 PolarHBondContact O-N 2.98Å; D463-I507 HydrophobicContact CB-CD1 3.95Å; D463-I507 HydrophobicContact CB-CG1 3.79Å; D463-I507 HydrophobicContact CB-CG2 4.45Å; D463-I507 WeakPolarHBondContact O-CD1 3.23Å; D463-R510 VanDerWaalsContact CG-NH2 3.31Å; D463-R510 IonicContact OD1-CZ 2.75Å; D463-R510 IonicContact OD1-NE 2.95Å; D463-R510 IonicContact OD1-NH2 2.68Å; D463-R510 PolarHBondContact OD1-NH2 3.22Å; D463-R510 IonicContact OD2-CZ 2.75Å; D463-R510 VanDerWaalsContact OD2-CZ 3.31Å; D463-R510 IonicContact OD2-NE 3.61Å; D463-R510 PolarHBondContact OD2-NE 3.33Å; D463-R510 IonicContact OD2-NH2 3.62Å; D463-R510 PolarHBondContact OD2-NH2 2.87Å; D463-R510 VanDerWaalsContact OD2-NH2 3.08Å
464	E	90.3	Very high	74.8	Confident	48 Å²	48	98.4 Å²	98.4	22%	0.224	47%	0.465	C	S	.	.	H	α-helix	trans	-74.1	-34.6	171.6	-161.9	-163.4	165.3	0	0	111.9	L460 S461 K468 V476	L460-E464 WeakPolarHBondContact CA-OE2 3.34Å; L460-E464 HydrophobicContact CB-CB 4.39Å; L460-E464 HydrophobicContact CD2-CG 4.49Å; L460-E464 WeakPolarHBondContact CD2-OE1 3.39Å; L460-E464 WeakPolarHBondContact CD2-OE2 3.29Å; S461-E464 CarbonylContact O-C 3.58Å; S461-E464 WeakPolarHBondContact O-CA 3.15Å; S461-E464 WeakPolarHBondContact O-CB 3.41Å; S461-E464 PolarHBondContact O-N 3.29Å; E464-K468 WeakPolarHBondContact O-CD 3.43Å; E464-K468 WeakPolarHBondContact O-CG 3.14Å; E464-K468 PolarHBondContact O-N 3.17Å; E464-K468 VanDerWaalsContact O-N 3.1Å; E464-K468 IonicContact OE1-NZ 2.98Å; E464-K468 PolarHBondContact OE1-NZ 2.97Å; E464-V476 HydrophobicContact CB-CG2 3.89Å; E464-V476 HydrophobicContact CG-CG2 4.19Å
465	Q	88.6	Confident	77.2	Confident	105 Å²	105	92.2 Å²	92.2	49%	0.491	45%	0.45	S	S	.	.	H	α-helix	trans	-62.8	-48.6	169.8	-64.7	178.5	4.3	0	0	110.6	L460 S461 K468 A469	L460-Q465 HydrophobicContact CB-CG 3.51Å; L460-Q465 HydrophobicContact CD1-CG 4.17Å; L460-Q465 HydrophobicContact CG-CG 4.47Å; L460-Q465 PolarHBondContact O-NE2 3Å; S461-Q465 WeakPolarHBondContact O-CG 3.27Å; S461-Q465 PolarHBondContact O-N 2.99Å; Q465-K468 PolarHBondContact O-N 2.85Å; Q465-A469 WeakPolarHBondContact O-CB 3.43Å; Q465-A469 PolarHBondContact O-N 3.14Å
466	R	89.1	Confident	79.6	Confident	111 Å²	111	84.3 Å²	84.3	42%	0.419	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-42.1	177.4	-73	169	175.9	-153	-5.4	112.3	R462 K468 A469 L470 L503	R462-R466 WeakPolarHBondContact O-CD 3.46Å; R462-R466 VanDerWaalsContact O-CG 3.22Å; R462-R466 WeakPolarHBondContact O-CG 3.38Å; R462-R466 PolarHBondContact O-N 3.16Å; R462-R466 VanDerWaalsContact O-N 3.11Å; R466-K468 VanDerWaalsContact C-N 3.3Å; R466-K468 PolarHBondContact O-N 3.02Å; R466-A469 PolarHBondContact O-N 3.31Å; R466-L470 PolarHBondContact O-N 2.98Å; R466-L503 HydrophobicContact CB-CD1 3.99Å; R466-L503 HydrophobicContact CB-CD2 3.87Å
467	A	90.9	Very high	81.8	Confident	4 Å²	4	83.3 Å²	83.3	3%	0.033	41%	0.408	C	S	.	.	H	α-helix	trans	-60	-40.2	175.9	0	0	0	0	0	111.8	D463 L470 Q471 I472 V476 I507	D463-A467 VanDerWaalsContact O-CB 3.25Å; D463-A467 WeakPolarHBondContact O-CB 3.2Å; D463-A467 PolarHBondContact O-N 2.98Å; A467-L470 CarbonylContact O-C 3.48Å; A467-Q471 PolarHBondContact O-N 3.48Å; A467-Q471 VanDerWaalsContact O-N 3.14Å; A467-I472 HydrophobicContact CB-CB 4.18Å; A467-I472 HydrophobicContact CB-CG1 4.11Å; A467-I472 WeakPolarHBondContact O-CG1 3.49Å; A467-I472 PolarHBondContact O-N 3.2Å; A467-V476 HydrophobicContact CB-CG2 4.21Å; A467-I507 HydrophobicContact CB-CD1 4.29Å
468	K	89.1	Confident	84.2	Confident	101 Å²	101	80 Å²	80	44%	0.439	39%	0.394	S	S	.	.	H	α-helix	trans	-72.8	-38.4	176.2	-73.3	165.7	-180	172.2	0	113	L460 E464 Q465 R466 L470 Q471	L460-K468 HydrophobicContact CD1-CD 4.12Å; E464-K468 WeakPolarHBondContact O-CD 3.43Å; E464-K468 WeakPolarHBondContact O-CG 3.14Å; E464-K468 PolarHBondContact O-N 3.17Å; E464-K468 VanDerWaalsContact O-N 3.1Å; E464-K468 IonicContact OE1-NZ 2.98Å; E464-K468 PolarHBondContact OE1-NZ 2.97Å; Q465-K468 PolarHBondContact O-N 2.85Å; R466-K468 VanDerWaalsContact C-N 3.3Å; R466-K468 PolarHBondContact O-N 3.02Å; K468-L470 VanDerWaalsContact C-N 3.3Å; K468-L470 PolarHBondContact O-N 3.5Å; K468-Q471 PolarHBondContact O-N 3.42Å
469	A	90.7	Very high	86.2	Confident	80 Å²	80	72.6 Å²	72.6	66%	0.661	36%	0.361	S	S	*	.	H	α-helix	trans	-62.1	-36.9	175.6	0	0	0	0	0	112.5	Q465 R466	Q465-A469 WeakPolarHBondContact O-CB 3.43Å; Q465-A469 PolarHBondContact O-N 3.14Å; R466-A469 PolarHBondContact O-N 3.31Å
470	L	89.6	Confident	87.9	Confident	71 Å²	71	64.3 Å²	64.3	37%	0.372	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	12.4	172.7	-60.8	-168.1	0	0	0	114	R466 A467 K468 I472 Q500 L503	R466-L470 PolarHBondContact O-N 2.98Å; A467-L470 CarbonylContact O-C 3.48Å; K468-L470 VanDerWaalsContact C-N 3.3Å; K468-L470 PolarHBondContact O-N 3.5Å; L470-I472 VanDerWaalsContact C-N 3.28Å; L470-I472 HydrophobicContact CB-CD1 4.36Å; L470-I472 HydrophobicContact CB-CG1 4.43Å; L470-I472 PolarHBondContact O-N 2.99Å; L470-Q500 HydrophobicContact CB-CG 4.17Å; L470-Q500 PolarHBondContact O-NE2 3.41Å; L470-L503 HydrophobicContact CB-CD2 4.38Å; L470-L503 HydrophobicContact CD1-CB 4.16Å; L470-L503 HydrophobicContact CD1-CD2 3.74Å; L470-L503 HydrophobicContact CG-CD2 4.18Å
471	Q	88.4	Confident	89.3	Confident	165 Å²	165	66.8 Å²	66.8	77%	0.771	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	44	178.7	-57.8	-174.4	2.6	0	0	114.4	A467 K468	A467-Q471 PolarHBondContact O-N 3.48Å; A467-Q471 VanDerWaalsContact O-N 3.14Å; K468-Q471 PolarHBondContact O-N 3.42Å
472	I	89.3	Confident	90.1	Very high	16 Å²	16	65.6 Å²	65.6	8%	0.082	33%	0.334	C	S	.	.			trans	-64.4	127.8	174.6	-56.8	-60.7	0	0	0	109.1	A467 L470 F474 I479 Q500 L503 V504	A467-I472 HydrophobicContact CB-CB 4.18Å; A467-I472 HydrophobicContact CB-CG1 4.11Å; A467-I472 WeakPolarHBondContact O-CG1 3.49Å; A467-I472 PolarHBondContact O-N 3.2Å; L470-I472 VanDerWaalsContact C-N 3.28Å; L470-I472 HydrophobicContact CB-CD1 4.36Å; L470-I472 HydrophobicContact CB-CG1 4.43Å; L470-I472 PolarHBondContact O-N 2.99Å; I472-F474 HydrophobicContact CG2-CB 4.42Å; I472-F474 HydrophobicContact CG2-CD2 4.14Å; I472-F474 PolarHBondContact O-N 3.3Å; I472-F474 VanDerWaalsContact O-N 3.11Å; I472-I479 HydrophobicContact CG2-CD1 4.02Å; I472-Q500 HydrophobicContact CD1-CB 3.49Å; I472-Q500 VanDerWaalsContact CD1-CB 3.49Å; I472-Q500 HydrophobicContact CD1-CG 3.62Å; I472-L503 HydrophobicContact CG1-CD2 4.44Å; I472-V504 HydrophobicContact CD1-CG2 3.92Å; I472-V504 HydrophobicContact CG1-CG2 4.38Å; I472-V504 HydrophobicContact CG2-CG2 3.95Å
473	P	87.2	Confident	90.5	Very high	73 Å²	73	62.7 Å²	62.7	47%	0.474	33%	0.331	S	S	.	.	S	Bend	trans	-76.1	6.7	-174.6	30.7	-36.2	0	0	0	114.6	L496	P473-L496 HydrophobicContact CG-CD2 4.19Å
474	F	89.6	Confident	90.7	Very high	21 Å²	21	65.7 Å²	65.7	9%	0.092	35%	0.35	C	S	.	.	S	Bend	trans	-126.6	157.9	-175.6	-41.7	-55.6	0	0	0	111.4	I472 I479 M490 M491 H494 L496	I472-F474 HydrophobicContact CG2-CB 4.42Å; I472-F474 HydrophobicContact CG2-CD2 4.14Å; I472-F474 PolarHBondContact O-N 3.3Å; I472-F474 VanDerWaalsContact O-N 3.11Å; F474-I479 HydrophobicContact CB-CD1 4.43Å; F474-I479 HydrophobicContact CB-CG1 4.3Å; F474-M490 HydrophobicContact CB-SD 4.25Å; F474-M490 HydrophobicContact CD1-CG 3.85Å; F474-M490 HydrophobicContact CD1-SD 3.64Å; F474-M490 HydrophobicContact CD2-CE 3.78Å; F474-M490 HydrophobicContact CD2-CG 4.29Å; F474-M490 HydrophobicContact CD2-SD 3.94Å; F474-M490 HydrophobicContact CE1-CG 3.4Å; F474-M490 VanDerWaalsContact CE1-CG 3.4Å; F474-M490 HydrophobicContact CE1-SD 3.87Å; F474-M490 HydrophobicContact CE2-CE 4Å; F474-M490 HydrophobicContact CE2-CG 3.88Å; F474-M490 HydrophobicContact CE2-SD 4.14Å; F474-M490 HydrophobicContact CG-CE 4.08Å; F474-M490 HydrophobicContact CG-CG 4.27Å; F474-M490 HydrophobicContact CG-SD 3.67Å; F474-M490 HydrophobicContact CZ-CE 4.49Å; F474-M490 HydrophobicContact CZ-CG 3.41Å; F474-M490 VanDerWaalsContact CZ-CG 3.41Å; F474-M490 HydrophobicContact CZ-SD 4.1Å; F474-M491 HydrophobicContact CE2-SD 3.88Å; F474-H494 AromaticContact CE1-CD2 4Å; F474-H494 AromaticContact CE1-CE1 3.54Å; F474-H494 AromaticContact CE1-CG 3.88Å; F474-H494 AromaticContact CE1-ND1 3.58Å; F474-H494 AromaticContact CE1-NE2 3.79Å; F474-H494 HydrophobicContact CZ-CB 3.84Å; F474-H494 AromaticContact CZ-CD2 3.96Å; F474-H494 AromaticContact CZ-CE1 3.84Å; F474-H494 AromaticContact CZ-CG 3.45Å; F474-H494 VanDerWaalsContact CZ-CG 3.45Å; F474-H494 AromaticContact CZ-ND1 3.36Å; F474-H494 WeakPolarHBondContact CZ-ND1 3.45Å; F474-L496 HydrophobicContact CE2-CD1 4.22Å
475	T	91.3	Very high	90.8	Very high	78 Å²	78	68.9 Å²	68.9	48%	0.479	37%	0.369	S	S	.	.			trans	-75.9	154.4	171.5	69.2	0	0	0	0	111.2	D477 M478 I479	T475-D477 PolarHBondContact O-N 3.23Å; T475-M478 HydrophobicContact CG2-SD 4.47Å; T475-M478 PolarHBondContact O-N 3.26Å; T475-M478 VanDerWaalsContact OG1-CG 3.3Å; T475-M478 WeakPolarHBondContact OG1-CG 3.29Å; T475-M478 PolarHBondContact OG1-N 3.37Å; T475-I479 WeakPolarHBondContact O-CG1 3.49Å; T475-I479 PolarHBondContact O-N 3.04Å
476	V	91.3	Very high	91	Very high	22 Å²	22	67.8 Å²	67.8	13%	0.133	37%	0.366	C	S	.	.	H	α-helix	trans	-58	-33.9	171.5	168.6	0	0	0	0	111.5	E464 A467 I479 I480 I507	E464-V476 HydrophobicContact CB-CG2 3.89Å; E464-V476 HydrophobicContact CG-CG2 4.19Å; A467-V476 HydrophobicContact CB-CG2 4.21Å; V476-I479 PolarHBondContact O-N 2.63Å; V476-I480 HydrophobicContact CG1-CD1 3.67Å; V476-I480 HydrophobicContact CG1-CG1 4.49Å; V476-I480 WeakPolarHBondContact O-CD1 3.48Å; V476-I480 VanDerWaalsContact O-CG1 3.27Å; V476-I480 WeakPolarHBondContact O-CG1 3.43Å; V476-I480 PolarHBondContact O-N 3.07Å; V476-I507 HydrophobicContact CG1-CG2 3.84Å; V476-I507 HydrophobicContact CG2-CD1 4.45Å; V476-I507 HydrophobicContact CG2-CG2 4.42Å
477	D	90.2	Very high	91.2	Very high	99 Å²	99	63.2 Å²	63.2	53%	0.529	35%	0.349	S	S	.	.	H	α-helix	trans	-63.3	-51.5	178.8	-165.6	84.8	0	0	0	112	T475 I479 I480 N481	T475-D477 PolarHBondContact O-N 3.23Å; D477-I479 VanDerWaalsContact C-N 3.27Å; D477-I479 PolarHBondContact O-N 2.89Å; D477-I480 PolarHBondContact O-N 3.38Å; D477-N481 WeakPolarHBondContact O-CB 3.39Å; D477-N481 PolarHBondContact O-N 3.06Å; D477-N481 PolarHBondContact OD1-ND2 2.91Å; D477-N481 PolarHBondContact OD2-ND2 3.11Å
478	M	91.5	Very high	91.2	Very high	79 Å²	79	67.1 Å²	67.1	39%	0.389	37%	0.37	S	S	.	.	H	α-helix	trans	-57.2	-40.4	175.3	-69	168.1	73.3	0	0	112	T475 I480 L482 M490	T475-M478 HydrophobicContact CG2-SD 4.47Å; T475-M478 PolarHBondContact O-N 3.26Å; T475-M478 VanDerWaalsContact OG1-CG 3.3Å; T475-M478 WeakPolarHBondContact OG1-CG 3.29Å; T475-M478 PolarHBondContact OG1-N 3.37Å; M478-I480 VanDerWaalsContact C-N 3.27Å; M478-I480 PolarHBondContact O-N 3.46Å; M478-L482 HydrophobicContact CB-CD1 4.14Å; M478-L482 HydrophobicContact CB-CG 4.46Å; M478-L482 WeakPolarHBondContact O-CB 3.31Å; M478-L482 WeakPolarHBondContact O-CD1 3.43Å; M478-L482 VanDerWaalsContact O-CG 3.22Å; M478-L482 WeakPolarHBondContact O-CG 3.42Å; M478-L482 PolarHBondContact O-N 2.79Å; M478-M490 HydrophobicContact CE-SD 3.94Å
479	I	92.9	Very high	91.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-61.1	-36.1	178.2	-70.2	165.6	0	0	0	111.7	I472 F474 T475 V476 D477 F487 V504 I507 R508	I472-I479 HydrophobicContact CG2-CD1 4.02Å; F474-I479 HydrophobicContact CB-CD1 4.43Å; F474-I479 HydrophobicContact CB-CG1 4.3Å; T475-I479 WeakPolarHBondContact O-CG1 3.49Å; T475-I479 PolarHBondContact O-N 3.04Å; V476-I479 PolarHBondContact O-N 2.63Å; D477-I479 VanDerWaalsContact C-N 3.27Å; D477-I479 PolarHBondContact O-N 2.89Å; I479-F487 HydrophobicContact CG2-CE2 4.46Å; I479-V504 HydrophobicContact CD1-CG1 4.24Å; I479-V504 HydrophobicContact CD1-CG2 4.1Å; I479-V504 HydrophobicContact CG1-CG1 4.07Å; I479-V504 HydrophobicContact CG2-CG1 3.85Å; I479-V504 WeakPolarHBondContact CG2-O 3.4Å; I479-I507 HydrophobicContact CB-CG2 4.41Å; I479-I507 HydrophobicContact CG2-CB 4.08Å; I479-I507 HydrophobicContact CG2-CG2 3.75Å; I479-R508 HydrophobicContact CG2-CB 3.86Å; I479-R508 WeakPolarHBondContact O-CB 3.19Å; I479-R508 WeakPolarHBondContact O-CD 3.45Å; I479-R508 WeakPolarHBondContact O-CG 3.45Å; I479-R508 PolarHBondContact O-NE 2.89Å
480	I	92.5	Very high	91.3	Very high	28 Å²	28	64.3 Å²	64.3	14%	0.144	34%	0.344	C	S	.	.	H	α-helix	trans	-84.3	-50.2	-177.8	-63.3	165.7	0	0	0	111	V476 D477 M478 I507 K512	V476-I480 HydrophobicContact CG1-CD1 3.67Å; V476-I480 HydrophobicContact CG1-CG1 4.49Å; V476-I480 WeakPolarHBondContact O-CD1 3.48Å; V476-I480 VanDerWaalsContact O-CG1 3.27Å; V476-I480 WeakPolarHBondContact O-CG1 3.43Å; V476-I480 PolarHBondContact O-N 3.07Å; D477-I480 PolarHBondContact O-N 3.38Å; M478-I480 VanDerWaalsContact C-N 3.27Å; M478-I480 PolarHBondContact O-N 3.46Å; I480-I507 HydrophobicContact CG1-CG2 4.33Å; I480-K512 WeakPolarHBondContact O-CE 3.36Å
481	N	93	Very high	91.3	Very high	95 Å²	95	62.2 Å²	62.2	51%	0.508	33%	0.333	S	S	.	.	H	α-helix	trans	-87.7	-25.1	-162.3	-66	-20.7	0	0	0	114.5	D477	D477-N481 WeakPolarHBondContact O-CB 3.39Å; D477-N481 PolarHBondContact O-N 3.06Å; D477-N481 PolarHBondContact OD1-ND2 2.91Å; D477-N481 PolarHBondContact OD2-ND2 3.11Å
482	L	94.1	Very high	91.3	Very high	41 Å²	41	58.9 Å²	58.9	22%	0.215	33%	0.328	C	S	.	.	S	Bend	trans	-59.6	146.3	-179.9	-76.3	173.2	0	0	0	111.9	M478 D486 F487 M490 R508	M478-L482 HydrophobicContact CB-CD1 4.14Å; M478-L482 HydrophobicContact CB-CG 4.46Å; M478-L482 WeakPolarHBondContact O-CB 3.31Å; M478-L482 WeakPolarHBondContact O-CD1 3.43Å; M478-L482 VanDerWaalsContact O-CG 3.22Å; M478-L482 WeakPolarHBondContact O-CG 3.42Å; M478-L482 PolarHBondContact O-N 2.79Å; L482-D486 HydrophobicContact CB-CB 4.48Å; L482-D486 HydrophobicContact CD2-CB 4.1Å; L482-F487 HydrophobicContact CB-CB 4.16Å; L482-M490 HydrophobicContact CD1-CE 3.87Å; L482-M490 HydrophobicContact CD1-SD 3.55Å; L482-M490 VanDerWaalsContact CD1-SD 3.55Å; L482-R508 PolarHBondContact O-NH2 3.03Å
483	P	92.6	Very high	91.2	Very high	65 Å²	65	64.3 Å²	64.3	42%	0.422	35%	0.351	S	S	.	.			trans	-50.3	168.4	164.5	-29.7	37.4	0	0	0	113.7	D485 D486 F487 R508	P483-D485 VanDerWaalsContact C-N 3.33Å; P483-D486 HydrophobicContact CB-CB 4.37Å; P483-D486 VanDerWaalsContact CD-OD2 3.31Å; P483-D486 WeakPolarHBondContact CD-OD2 3.48Å; P483-D486 WeakPolarHBondContact CG-OD2 3.3Å; P483-F487 WeakPolarHBondContact O-CB 3.37Å; P483-F487 PolarHBondContact O-N 3.23Å; P483-R508 VanDerWaalsContact C-NH2 3.33Å; P483-R508 PolarHBondContact O-NH2 3.4Å
484	V	91.8	Very high	91.1	Very high	77 Å²	77	64.4 Å²	64.4	47%	0.467	35%	0.345	S	S	.	.	H	α-helix	trans	-65.6	-42	179.5	174.9	0	0	0	0	110.5	N488	V484-N488 WeakPolarHBondContact O-CB 3.39Å; V484-N488 PolarHBondContact O-N 2.92Å; V484-N488 PolarHBondContact O-ND2 3.26Å; V484-N488 PolarHBondContact O-OD1 2.9Å
485	D	93.1	Very high	90.9	Very high	116 Å²	116	73.1 Å²	73.1	62%	0.62	39%	0.386	S	S	*	.	H	α-helix	trans	-75.4	-52.3	-172.4	-48.7	-73.4	0	0	0	111.8	P483 F487 N488 E489	P483-D485 VanDerWaalsContact C-N 3.33Å; D485-F487 PolarHBondContact O-N 3.43Å; D485-N488 CarbonylContact O-C 3.59Å; D485-N488 WeakPolarHBondContact O-CA 3.43Å; D485-N488 WeakPolarHBondContact O-CB 2.94Å; D485-N488 PolarHBondContact O-N 3.33Å; D485-E489 PolarHBondContact O-N 3.41Å
486	D	93.3	Very high	90.7	Very high	81 Å²	81	70.5 Å²	70.5	43%	0.433	37%	0.369	S	S	.	.	H	α-helix	trans	-53.6	-39.8	172.4	-54.6	4.3	0	0	0	112.2	L482 P483 E489 M490	L482-D486 HydrophobicContact CB-CB 4.48Å; L482-D486 HydrophobicContact CD2-CB 4.1Å; P483-D486 HydrophobicContact CB-CB 4.37Å; P483-D486 VanDerWaalsContact CD-OD2 3.31Å; P483-D486 WeakPolarHBondContact CD-OD2 3.48Å; P483-D486 WeakPolarHBondContact CG-OD2 3.3Å; D486-E489 PolarHBondContact O-N 2.92Å; D486-M490 VanDerWaalsContact O-CB 3.24Å; D486-M490 WeakPolarHBondContact O-CB 3.4Å; D486-M490 PolarHBondContact O-N 3.48Å
487	F	92.1	Very high	90.7	Very high	15 Å²	15	74.9 Å²	74.9	7%	0.066	39%	0.391	C	S	.	.	H	α-helix	trans	-66.7	-43.4	175.2	173.5	-87.4	0	0	0	111.5	I479 L482 P483 D485 E489 M490 M491 V504 R508	I479-F487 HydrophobicContact CG2-CE2 4.46Å; L482-F487 HydrophobicContact CB-CB 4.16Å; P483-F487 WeakPolarHBondContact O-CB 3.37Å; P483-F487 PolarHBondContact O-N 3.23Å; D485-F487 PolarHBondContact O-N 3.43Å; F487-E489 VanDerWaalsContact C-N 3.31Å; F487-E489 PolarHBondContact O-N 3.19Å; F487-M490 HydrophobicContact CD2-CE 3.75Å; F487-M490 HydrophobicContact CE2-CE 4.14Å; F487-M490 PolarHBondContact O-N 3.43Å; F487-M491 HydrophobicContact CD1-CG 4.07Å; F487-M491 HydrophobicContact CD2-CG 4.41Å; F487-M491 HydrophobicContact CE1-CG 3.79Å; F487-M491 HydrophobicContact CE2-CG 4.12Å; F487-M491 HydrophobicContact CE2-SD 4.34Å; F487-M491 HydrophobicContact CG-CG 4.38Å; F487-M491 HydrophobicContact CZ-CE 4.24Å; F487-M491 HydrophobicContact CZ-CG 3.81Å; F487-M491 HydrophobicContact CZ-SD 4.14Å; F487-M491 VanDerWaalsContact O-CB 3.3Å; F487-M491 WeakPolarHBondContact O-CB 3.46Å; F487-M491 WeakPolarHBondContact O-CG 3.46Å; F487-M491 PolarHBondContact O-N 3.33Å; F487-V504 HydrophobicContact CE2-CG1 3.81Å; F487-V504 HydrophobicContact CZ-CG1 3.78Å; F487-R508 VanDerWaalsContact CG-CZ 3.4Å; F487-R508 VanDerWaalsContact CG-NH1 3.25Å
488	N	91.1	Very high	90.8	Very high	87 Å²	87	77.7 Å²	77.7	47%	0.465	40%	0.401	S	S	.	.	H	α-helix	trans	-64.9	-37	177.5	-69.6	-21.3	0	0	0	111.3	V484 D485 M491 S492	V484-N488 WeakPolarHBondContact O-CB 3.39Å; V484-N488 PolarHBondContact O-N 2.92Å; V484-N488 PolarHBondContact O-ND2 3.26Å; V484-N488 PolarHBondContact O-OD1 2.9Å; D485-N488 CarbonylContact O-C 3.59Å; D485-N488 WeakPolarHBondContact O-CA 3.43Å; D485-N488 WeakPolarHBondContact O-CB 2.94Å; D485-N488 PolarHBondContact O-N 3.33Å; N488-M491 PolarHBondContact O-N 3.26Å; N488-S492 WeakPolarHBondContact O-CB 3.43Å; N488-S492 PolarHBondContact O-N 2.84Å; N488-S492 PolarHBondContact O-OG 3.43Å
489	E	93.1	Very high	90.7	Very high	103 Å²	103	76.6 Å²	76.6	48%	0.481	41%	0.405	S	S	.	.	H	α-helix	trans	-69.6	-42.5	174.9	-160.7	-161.5	165.8	0	0	112.2	D485 D486 F487 M491 S492 K493	D485-E489 PolarHBondContact O-N 3.41Å; D486-E489 PolarHBondContact O-N 2.92Å; F487-E489 VanDerWaalsContact C-N 3.31Å; F487-E489 PolarHBondContact O-N 3.19Å; E489-M491 VanDerWaalsContact C-N 3.26Å; E489-M491 PolarHBondContact O-N 3.45Å; E489-S492 PolarHBondContact O-N 2.98Å; E489-S492 PolarHBondContact O-OG 3.4Å; E489-S492 VanDerWaalsContact O-OG 3.06Å; E489-K493 WeakPolarHBondContact O-CD 3.45Å; E489-K493 VanDerWaalsContact O-CG 3.31Å; E489-K493 WeakPolarHBondContact O-CG 3.46Å; E489-K493 PolarHBondContact O-N 3.46Å; E489-K493 WeakPolarHBondContact OE1-CE 3.25Å; E489-K493 IonicContact OE1-NZ 3.52Å; E489-K493 PolarHBondContact OE1-NZ 3.13Å; E489-K493 IonicContact OE2-NZ 2.63Å
490	M	89.9	Confident	90.7	Very high	18 Å²	18	78.3 Å²	78.3	9%	0.089	41%	0.413	C	S	.	.	H	α-helix	trans	-57.5	-42.1	172.5	178.3	-176.4	72	0	0	111.3	F474 M478 L482 D486 F487 H494	F474-M490 HydrophobicContact CB-SD 4.25Å; F474-M490 HydrophobicContact CD1-CG 3.85Å; F474-M490 HydrophobicContact CD1-SD 3.64Å; F474-M490 HydrophobicContact CD2-CE 3.78Å; F474-M490 HydrophobicContact CD2-CG 4.29Å; F474-M490 HydrophobicContact CD2-SD 3.94Å; F474-M490 HydrophobicContact CE1-CG 3.4Å; F474-M490 VanDerWaalsContact CE1-CG 3.4Å; F474-M490 HydrophobicContact CE1-SD 3.87Å; F474-M490 HydrophobicContact CE2-CE 4Å; F474-M490 HydrophobicContact CE2-CG 3.88Å; F474-M490 HydrophobicContact CE2-SD 4.14Å; F474-M490 HydrophobicContact CG-CE 4.08Å; F474-M490 HydrophobicContact CG-CG 4.27Å; F474-M490 HydrophobicContact CG-SD 3.67Å; F474-M490 HydrophobicContact CZ-CE 4.49Å; F474-M490 HydrophobicContact CZ-CG 3.41Å; F474-M490 VanDerWaalsContact CZ-CG 3.41Å; F474-M490 HydrophobicContact CZ-SD 4.1Å; M478-M490 HydrophobicContact CE-SD 3.94Å; L482-M490 HydrophobicContact CD1-CE 3.87Å; L482-M490 HydrophobicContact CD1-SD 3.55Å; L482-M490 VanDerWaalsContact CD1-SD 3.55Å; D486-M490 VanDerWaalsContact O-CB 3.24Å; D486-M490 WeakPolarHBondContact O-CB 3.4Å; D486-M490 PolarHBondContact O-N 3.48Å; F487-M490 HydrophobicContact CD2-CE 3.75Å; F487-M490 HydrophobicContact CE2-CE 4.14Å; F487-M490 PolarHBondContact O-N 3.43Å; M490-H494 PolarHBondContact O-ND1 2.96Å
491	M	88.4	Confident	90.7	Very high	28 Å²	28	79.2 Å²	79.2	14%	0.138	42%	0.418	C	S	.	.	H	α-helix	trans	-77.8	-27.8	-178.6	-66.6	-72.3	-72.8	0	0	113.4	F474 F487 N488 E489 L496 L501 V504	F474-M491 HydrophobicContact CE2-SD 3.88Å; F487-M491 HydrophobicContact CD1-CG 4.07Å; F487-M491 HydrophobicContact CD2-CG 4.41Å; F487-M491 HydrophobicContact CE1-CG 3.79Å; F487-M491 HydrophobicContact CE2-CG 4.12Å; F487-M491 HydrophobicContact CE2-SD 4.34Å; F487-M491 HydrophobicContact CG-CG 4.38Å; F487-M491 HydrophobicContact CZ-CE 4.24Å; F487-M491 HydrophobicContact CZ-CG 3.81Å; F487-M491 HydrophobicContact CZ-SD 4.14Å; F487-M491 VanDerWaalsContact O-CB 3.3Å; F487-M491 WeakPolarHBondContact O-CB 3.46Å; F487-M491 WeakPolarHBondContact O-CG 3.46Å; F487-M491 PolarHBondContact O-N 3.33Å; N488-M491 PolarHBondContact O-N 3.26Å; E489-M491 VanDerWaalsContact C-N 3.26Å; E489-M491 PolarHBondContact O-N 3.45Å; M491-L496 HydrophobicContact CE-CD1 3.88Å; M491-L496 HydrophobicContact SD-CD1 3.87Å; M491-L501 HydrophobicContact CE-CD2 3.42Å; M491-L501 VanDerWaalsContact CE-CD2 3.42Å; M491-V504 HydrophobicContact CE-CB 4.25Å; M491-V504 HydrophobicContact CE-CG1 3.83Å; M491-V504 HydrophobicContact SD-CG1 3.9Å
492	S	88.6	Confident	90.6	Very high	95 Å²	95	77.2 Å²	77.2	66%	0.664	42%	0.415	S	S	*	.	H	α-helix	trans	-75	-29.5	174.3	69.3	0	0	0	0	112.5	N488 E489 H494	N488-S492 WeakPolarHBondContact O-CB 3.43Å; N488-S492 PolarHBondContact O-N 2.84Å; N488-S492 PolarHBondContact O-OG 3.43Å; E489-S492 PolarHBondContact O-N 2.98Å; E489-S492 PolarHBondContact O-OG 3.4Å; E489-S492 VanDerWaalsContact O-OG 3.06Å; S492-H494 VanDerWaalsContact C-N 3.26Å; S492-H494 PolarHBondContact O-N 3.49Å
493	K	87.3	Confident	90.6	Very high	130 Å²	130	76.1 Å²	76.1	57%	0.565	41%	0.409	S	S	*	.	S	Bend	trans	-69.9	-15.4	175	-72.3	168	-177.8	168.7	0	114.3	E489	E489-K493 WeakPolarHBondContact O-CD 3.45Å; E489-K493 VanDerWaalsContact O-CG 3.31Å; E489-K493 WeakPolarHBondContact O-CG 3.46Å; E489-K493 PolarHBondContact O-N 3.46Å; E489-K493 WeakPolarHBondContact OE1-CE 3.25Å; E489-K493 IonicContact OE1-NZ 3.52Å; E489-K493 PolarHBondContact OE1-NZ 3.13Å; E489-K493 IonicContact OE2-NZ 2.63Å
494	H	85.9	Confident	90.6	Very high	75 Å²	75	73 Å²	73	35%	0.347	39%	0.389	S	S	.	.	S	Bend	trans	-128.1	117.7	-172.2	-65.8	77.9	0	0	0	112.1	F474 M490 S492 L496	F474-H494 AromaticContact CE1-CD2 4Å; F474-H494 AromaticContact CE1-CE1 3.54Å; F474-H494 AromaticContact CE1-CG 3.88Å; F474-H494 AromaticContact CE1-ND1 3.58Å; F474-H494 AromaticContact CE1-NE2 3.79Å; F474-H494 HydrophobicContact CZ-CB 3.84Å; F474-H494 AromaticContact CZ-CD2 3.96Å; F474-H494 AromaticContact CZ-CE1 3.84Å; F474-H494 AromaticContact CZ-CG 3.45Å; F474-H494 VanDerWaalsContact CZ-CG 3.45Å; F474-H494 AromaticContact CZ-ND1 3.36Å; F474-H494 WeakPolarHBondContact CZ-ND1 3.45Å; M490-H494 PolarHBondContact O-ND1 2.96Å; S492-H494 VanDerWaalsContact C-N 3.26Å; S492-H494 PolarHBondContact O-N 3.49Å; H494-L496 HydrophobicContact CB-CG 4.47Å; H494-L496 PolarHBondContact O-N 3.27Å
495	Q	85.7	Confident	90.6	Very high	203 Å²	203	77.3 Å²	77.3	95%	0.949	40%	0.397	S	S	*	.			trans	-74.2	98	176.1	-63.6	-177.1	30.7	0	0	110.1
496	L	87.2	Confident	90.7	Very high	24 Å²	24	73.8 Å²	73.8	13%	0.126	38%	0.378	C	S	.	.			trans	-101.9	138.3	177.6	-64	178.9	0	0	0	111.1	P473 F474 M491 H494 Q500 L501 V504	P473-L496 HydrophobicContact CG-CD2 4.19Å; F474-L496 HydrophobicContact CE2-CD1 4.22Å; M491-L496 HydrophobicContact CE-CD1 3.88Å; M491-L496 HydrophobicContact SD-CD1 3.87Å; H494-L496 HydrophobicContact CB-CG 4.47Å; H494-L496 PolarHBondContact O-N 3.27Å; L496-Q500 HydrophobicContact CB-CB 4.01Å; L496-Q500 HydrophobicContact CD2-CB 4.38Å; L496-L501 HydrophobicContact CB-CD2 3.74Å; L496-L501 HydrophobicContact CB-CG 3.98Å; L496-L501 HydrophobicContact CD1-CD2 4.19Å; L496-V504 HydrophobicContact CD1-CG2 4.45Å
497	N	90.8	Very high	90.6	Very high	113 Å²	113	69.9 Å²	69.9	60%	0.604	36%	0.357	S	S	*	.			trans	-63.8	155.8	173.3	-170.2	1.1	0	0	0	110.9	A499 Q500 L501	N497-A499 VanDerWaalsContact C-N 3.29Å; N497-A499 PolarHBondContact O-N 2.89Å; N497-Q500 HydrophobicContact CB-CG 4.32Å; N497-Q500 CarbonylContact O-C 3.33Å; N497-Q500 WeakPolarHBondContact O-CA 3.42Å; N497-Q500 VanDerWaalsContact O-CB 3.31Å; N497-Q500 WeakPolarHBondContact O-CB 3.46Å; N497-Q500 PolarHBondContact O-N 2.88Å; N497-L501 PolarHBondContact O-N 3.4Å
498	E	91.1	Very high	90.7	Very high	158 Å²	158	70.6 Å²	70.6	74%	0.738	36%	0.359	S	S	*	.	H	α-helix	trans	-54.3	-42.7	-178	-174.4	175.5	-169.4	0	0	112.6	Q500 L501 A502	E498-Q500 VanDerWaalsContact C-N 3.31Å; E498-Q500 PolarHBondContact O-N 2.86Å; E498-L501 PolarHBondContact O-N 3.2Å; E498-A502 WeakPolarHBondContact O-CB 3.43Å; E498-A502 PolarHBondContact O-N 2.99Å
499	A	90.8	Very high	90.9	Very high	56 Å²	56	74.1 Å²	74.1	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-33.4	175.4	0	0	0	0	0	113.3	N497 L503	N497-A499 VanDerWaalsContact C-N 3.29Å; N497-A499 PolarHBondContact O-N 2.89Å; A499-L503 WeakPolarHBondContact O-CB 3.43Å; A499-L503 PolarHBondContact O-N 2.87Å; A499-L503 VanDerWaalsContact O-N 3.11Å
500	Q	92.4	Very high	90.8	Very high	36 Å²	36	72.2 Å²	72.2	17%	0.168	36%	0.355	C	S	.	.	H	α-helix	trans	-71.1	-45.5	173.8	-69.5	173.4	-46.6	0	0	110.4	L470 I472 L496 N497 E498 A502 L503 V504	L470-Q500 HydrophobicContact CB-CG 4.17Å; L470-Q500 PolarHBondContact O-NE2 3.41Å; I472-Q500 HydrophobicContact CD1-CB 3.49Å; I472-Q500 VanDerWaalsContact CD1-CB 3.49Å; I472-Q500 HydrophobicContact CD1-CG 3.62Å; L496-Q500 HydrophobicContact CB-CB 4.01Å; L496-Q500 HydrophobicContact CD2-CB 4.38Å; N497-Q500 HydrophobicContact CB-CG 4.32Å; N497-Q500 CarbonylContact O-C 3.33Å; N497-Q500 WeakPolarHBondContact O-CA 3.42Å; N497-Q500 VanDerWaalsContact O-CB 3.31Å; N497-Q500 WeakPolarHBondContact O-CB 3.46Å; N497-Q500 PolarHBondContact O-N 2.88Å; E498-Q500 VanDerWaalsContact C-N 3.31Å; E498-Q500 PolarHBondContact O-N 2.86Å; Q500-A502 VanDerWaalsContact C-N 3.35Å; Q500-A502 PolarHBondContact O-N 3.48Å; Q500-L503 PolarHBondContact O-N 2.97Å; Q500-V504 VanDerWaalsContact O-CG2 3.3Å; Q500-V504 WeakPolarHBondContact O-CG2 3.41Å; Q500-V504 PolarHBondContact O-N 2.9Å
501	L	91.9	Very high	90.9	Very high	47 Å²	47	71.9 Å²	71.9	25%	0.246	36%	0.356	C	S	.	.	H	α-helix	trans	-59.8	-43.2	176.1	-66.7	175.7	0	0	0	112	M491 L496 N497 E498 V504 R505	M491-L501 HydrophobicContact CE-CD2 3.42Å; M491-L501 VanDerWaalsContact CE-CD2 3.42Å; L496-L501 HydrophobicContact CB-CD2 3.74Å; L496-L501 HydrophobicContact CB-CG 3.98Å; L496-L501 HydrophobicContact CD1-CD2 4.19Å; N497-L501 PolarHBondContact O-N 3.4Å; E498-L501 PolarHBondContact O-N 3.2Å; L501-V504 PolarHBondContact O-N 2.75Å; L501-R505 WeakPolarHBondContact O-CB 3.42Å; L501-R505 VanDerWaalsContact O-CG 3.28Å; L501-R505 WeakPolarHBondContact O-CG 3.31Å; L501-R505 PolarHBondContact O-N 2.83Å
502	A	92.4	Very high	91	Very high	54 Å²	54	75.1 Å²	75.1	45%	0.446	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-47.3	175.4	0	0	0	0	0	111.4	E498 Q500 R505 D506	E498-A502 WeakPolarHBondContact O-CB 3.43Å; E498-A502 PolarHBondContact O-N 2.99Å; Q500-A502 VanDerWaalsContact C-N 3.35Å; Q500-A502 PolarHBondContact O-N 3.48Å; A502-R505 PolarHBondContact O-N 3.27Å; A502-D506 VanDerWaalsContact O-CB 3.3Å; A502-D506 WeakPolarHBondContact O-CB 3.15Å; A502-D506 PolarHBondContact O-N 3.31Å
503	L	92.8	Very high	91.2	Very high	18 Å²	18	76.1 Å²	76.1	9%	0.094	37%	0.367	C	S	.	.	H	α-helix	trans	-61.3	-48.1	176.2	179.9	64.9	0	0	0	111.7	R466 L470 I472 A499 Q500 R505 D506 I507	R466-L503 HydrophobicContact CB-CD1 3.99Å; R466-L503 HydrophobicContact CB-CD2 3.87Å; L470-L503 HydrophobicContact CB-CD2 4.38Å; L470-L503 HydrophobicContact CD1-CB 4.16Å; L470-L503 HydrophobicContact CD1-CD2 3.74Å; L470-L503 HydrophobicContact CG-CD2 4.18Å; I472-L503 HydrophobicContact CG1-CD2 4.44Å; A499-L503 WeakPolarHBondContact O-CB 3.43Å; A499-L503 PolarHBondContact O-N 2.87Å; A499-L503 VanDerWaalsContact O-N 3.11Å; Q500-L503 PolarHBondContact O-N 2.97Å; L503-R505 VanDerWaalsContact C-N 3.34Å; L503-R505 PolarHBondContact O-N 3.38Å; L503-D506 PolarHBondContact O-N 2.99Å; L503-D506 VanDerWaalsContact O-N 3.15Å; L503-I507 HydrophobicContact CD1-CD1 3.86Å; L503-I507 HydrophobicContact CD1-CG1 3.93Å; L503-I507 HydrophobicContact CD2-CD1 4.19Å; L503-I507 HydrophobicContact CG-CD1 3.7Å; L503-I507 HydrophobicContact CG-CG1 4.15Å; L503-I507 WeakPolarHBondContact O-CB 3.44Å; L503-I507 VanDerWaalsContact O-CG1 3.25Å; L503-I507 WeakPolarHBondContact O-CG1 3.37Å; L503-I507 PolarHBondContact O-N 3.39Å
504	V	93.3	Very high	91.3	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.2	-42.9	-178.9	172	0	0	0	0	111.4	I472 I479 F487 M491 L496 Q500 L501 I507 R508	I472-V504 HydrophobicContact CD1-CG2 3.92Å; I472-V504 HydrophobicContact CG1-CG2 4.38Å; I472-V504 HydrophobicContact CG2-CG2 3.95Å; I479-V504 HydrophobicContact CD1-CG1 4.24Å; I479-V504 HydrophobicContact CD1-CG2 4.1Å; I479-V504 HydrophobicContact CG1-CG1 4.07Å; I479-V504 HydrophobicContact CG2-CG1 3.85Å; I479-V504 WeakPolarHBondContact CG2-O 3.4Å; F487-V504 HydrophobicContact CE2-CG1 3.81Å; F487-V504 HydrophobicContact CZ-CG1 3.78Å; M491-V504 HydrophobicContact CE-CB 4.25Å; M491-V504 HydrophobicContact CE-CG1 3.83Å; M491-V504 HydrophobicContact SD-CG1 3.9Å; L496-V504 HydrophobicContact CD1-CG2 4.45Å; Q500-V504 VanDerWaalsContact O-CG2 3.3Å; Q500-V504 WeakPolarHBondContact O-CG2 3.41Å; Q500-V504 PolarHBondContact O-N 2.9Å; L501-V504 PolarHBondContact O-N 2.75Å; V504-I507 PolarHBondContact O-N 2.98Å; V504-R508 WeakPolarHBondContact O-CB 3.29Å; V504-R508 PolarHBondContact O-N 3.3Å
505	R	92.4	Very high	91.4	Very high	167 Å²	167	71.4 Å²	71.4	63%	0.63	35%	0.349	S	S	*	.	H	α-helix	trans	-61.2	-44.7	174.1	-72.5	168.7	178.3	158.4	-0.2	111.9	L501 A502 L503 R508 R509	L501-R505 WeakPolarHBondContact O-CB 3.42Å; L501-R505 VanDerWaalsContact O-CG 3.28Å; L501-R505 WeakPolarHBondContact O-CG 3.31Å; L501-R505 PolarHBondContact O-N 2.83Å; A502-R505 PolarHBondContact O-N 3.27Å; L503-R505 VanDerWaalsContact C-N 3.34Å; L503-R505 PolarHBondContact O-N 3.38Å; R505-R508 PolarHBondContact O-N 3.43Å; R505-R509 VanDerWaalsContact O-CB 3.27Å; R505-R509 WeakPolarHBondContact O-CB 3.47Å; R505-R509 PolarHBondContact O-N 2.93Å
506	D	93.7	Very high	91.6	Very high	41 Å²	41	64.4 Å²	64.4	22%	0.219	33%	0.326	C	S	.	.	H	α-helix	trans	-68.2	-37.1	-178.9	-176.8	44.6	0	0	0	112.8	A502 L503 R509 R510	A502-D506 VanDerWaalsContact O-CB 3.3Å; A502-D506 WeakPolarHBondContact O-CB 3.15Å; A502-D506 PolarHBondContact O-N 3.31Å; L503-D506 PolarHBondContact O-N 2.99Å; L503-D506 VanDerWaalsContact O-N 3.15Å; D506-R509 IonicContact OD1-CZ 2.61Å; D506-R509 IonicContact OD1-NE 3.83Å; D506-R509 IonicContact OD1-NH2 2.61Å; D506-R509 PolarHBondContact OD1-NH2 2.77Å; D506-R510 WeakPolarHBondContact O-CB 3.27Å; D506-R510 PolarHBondContact O-N 3.34Å; D506-R510 IonicContact OD1-CZ 2.73Å; D506-R510 IonicContact OD1-NH1 2.74Å; D506-R510 PolarHBondContact OD1-NH1 3.44Å; D506-R510 IonicContact OD2-CZ 3.89Å; D506-R510 IonicContact OD2-NH1 3.13Å; D506-R510 PolarHBondContact OD2-NH1 3.11Å; D506-R510 IonicContact OD2-NH2 2.77Å; D506-R510 PolarHBondContact OD2-NH2 3.42Å
507	I	92.2	Very high	91.7	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-51.5	170.9	-68.1	179.2	0	0	0	110.5	D463 A467 V476 I479 I480 L503 V504 R509 R510 G511	D463-I507 HydrophobicContact CB-CD1 3.95Å; D463-I507 HydrophobicContact CB-CG1 3.79Å; D463-I507 HydrophobicContact CB-CG2 4.45Å; D463-I507 WeakPolarHBondContact O-CD1 3.23Å; A467-I507 HydrophobicContact CB-CD1 4.29Å; V476-I507 HydrophobicContact CG1-CG2 3.84Å; V476-I507 HydrophobicContact CG2-CD1 4.45Å; V476-I507 HydrophobicContact CG2-CG2 4.42Å; I479-I507 HydrophobicContact CB-CG2 4.41Å; I479-I507 HydrophobicContact CG2-CB 4.08Å; I479-I507 HydrophobicContact CG2-CG2 3.75Å; I480-I507 HydrophobicContact CG1-CG2 4.33Å; L503-I507 HydrophobicContact CD1-CD1 3.86Å; L503-I507 HydrophobicContact CD1-CG1 3.93Å; L503-I507 HydrophobicContact CD2-CD1 4.19Å; L503-I507 HydrophobicContact CG-CD1 3.7Å; L503-I507 HydrophobicContact CG-CG1 4.15Å; L503-I507 WeakPolarHBondContact O-CB 3.44Å; L503-I507 VanDerWaalsContact O-CG1 3.25Å; L503-I507 WeakPolarHBondContact O-CG1 3.37Å; L503-I507 PolarHBondContact O-N 3.39Å; V504-I507 PolarHBondContact O-N 2.98Å; I507-R509 VanDerWaalsContact C-N 3.3Å; I507-R509 PolarHBondContact O-N 3.3Å; I507-R510 PolarHBondContact O-N 2.9Å; I507-G511 PolarHBondContact O-N 3.03Å
508	R	94.3	Very high	91.4	Very high	29 Å²	29	61.5 Å²	61.5	11%	0.109	32%	0.315	C	S	.	.	H	α-helix	trans	-58.5	-43	179	-172.3	166.9	-157.3	-149	5	111.7	I479 L482 P483 F487 V504 R505 K512	I479-R508 HydrophobicContact CG2-CB 3.86Å; I479-R508 WeakPolarHBondContact O-CB 3.19Å; I479-R508 WeakPolarHBondContact O-CD 3.45Å; I479-R508 WeakPolarHBondContact O-CG 3.45Å; I479-R508 PolarHBondContact O-NE 2.89Å; L482-R508 PolarHBondContact O-NH2 3.03Å; P483-R508 VanDerWaalsContact C-NH2 3.33Å; P483-R508 PolarHBondContact O-NH2 3.4Å; F487-R508 VanDerWaalsContact CG-CZ 3.4Å; F487-R508 VanDerWaalsContact CG-NH1 3.25Å; V504-R508 WeakPolarHBondContact O-CB 3.29Å; V504-R508 PolarHBondContact O-N 3.3Å; R505-R508 PolarHBondContact O-N 3.43Å; R508-K512 HydrophobicContact CG-CD 4.41Å; R508-K512 WeakPolarHBondContact O-CB 2.75Å; R508-K512 WeakPolarHBondContact O-CG 3.44Å; R508-K512 PolarHBondContact O-N 3.3Å
509	R	94.5	Very high	91.3	Very high	161 Å²	161	58.2 Å²	58.2	61%	0.608	30%	0.302	S	S	*	.	H	α-helix	trans	-61.8	-46.9	176.1	-174.8	-175.5	67.2	97.7	0.8	112	R505 D506 I507 N513	R505-R509 VanDerWaalsContact O-CB 3.27Å; R505-R509 WeakPolarHBondContact O-CB 3.47Å; R505-R509 PolarHBondContact O-N 2.93Å; D506-R509 IonicContact OD1-CZ 2.61Å; D506-R509 IonicContact OD1-NE 3.83Å; D506-R509 IonicContact OD1-NH2 2.61Å; D506-R509 PolarHBondContact OD1-NH2 2.77Å; I507-R509 VanDerWaalsContact C-N 3.3Å; I507-R509 PolarHBondContact O-N 3.3Å; R509-N513 WeakPolarHBondContact O-CB 3.47Å; R509-N513 PolarHBondContact O-N 3.05Å
510	R	91.3	Very high	91.4	Very high	64 Å²	64	59.7 Å²	59.7	24%	0.242	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-46.8	176.1	-89.8	-162.7	-70.6	-77.6	-4.6	112.6	D463 D506 I507 N513 K514	D463-R510 VanDerWaalsContact CG-NH2 3.31Å; D463-R510 IonicContact OD1-CZ 2.75Å; D463-R510 IonicContact OD1-NE 2.95Å; D463-R510 IonicContact OD1-NH2 2.68Å; D463-R510 PolarHBondContact OD1-NH2 3.22Å; D463-R510 IonicContact OD2-CZ 2.75Å; D463-R510 VanDerWaalsContact OD2-CZ 3.31Å; D463-R510 IonicContact OD2-NE 3.61Å; D463-R510 PolarHBondContact OD2-NE 3.33Å; D463-R510 IonicContact OD2-NH2 3.62Å; D463-R510 PolarHBondContact OD2-NH2 2.87Å; D463-R510 VanDerWaalsContact OD2-NH2 3.08Å; D506-R510 WeakPolarHBondContact O-CB 3.27Å; D506-R510 PolarHBondContact O-N 3.34Å; D506-R510 IonicContact OD1-CZ 2.73Å; D506-R510 IonicContact OD1-NH1 2.74Å; D506-R510 PolarHBondContact OD1-NH1 3.44Å; D506-R510 IonicContact OD2-CZ 3.89Å; D506-R510 IonicContact OD2-NH1 3.13Å; D506-R510 PolarHBondContact OD2-NH1 3.11Å; D506-R510 IonicContact OD2-NH2 2.77Å; D506-R510 PolarHBondContact OD2-NH2 3.42Å; I507-R510 PolarHBondContact O-N 2.9Å; R510-N513 PolarHBondContact O-N 3.49Å; R510-K514 PolarHBondContact O-N 3.24Å
511	G	91.5	Very high	91.1	Very high	11 Å²	11	60.4 Å²	60.4	11%	0.113	31%	0.31	C	S	.	.	H	α-helix	trans	-60	-49.9	179.7	0	0	0	0	0	112.3	I507 N513 K514 V515	I507-G511 PolarHBondContact O-N 3.03Å; G511-N513 VanDerWaalsContact C-N 3.31Å; G511-N513 PolarHBondContact O-N 3.22Å; G511-K514 PolarHBondContact O-N 3.04Å; G511-K514 VanDerWaalsContact O-N 3.15Å; G511-V515 WeakPolarHBondContact O-CG2 3.21Å; G511-V515 PolarHBondContact O-N 2.79Å
512	K	91.4	Very high	90.8	Very high	96 Å²	96	62.5 Å²	62.5	42%	0.417	32%	0.317	S	S	.	.	H	α-helix	trans	-62.1	-36.5	176.7	-69.9	-167.8	176.7	-162.2	0	112.5	I480 R508 A516	I480-K512 WeakPolarHBondContact O-CE 3.36Å; R508-K512 HydrophobicContact CG-CD 4.41Å; R508-K512 WeakPolarHBondContact O-CB 2.75Å; R508-K512 WeakPolarHBondContact O-CG 3.44Å; R508-K512 PolarHBondContact O-N 3.3Å; K512-A516 VanDerWaalsContact O-CB 3.27Å; K512-A516 WeakPolarHBondContact O-CB 3.45Å; K512-A516 PolarHBondContact O-N 3.2Å
513	N	92.2	Very high	90.7	Very high	115 Å²	115	69 Å²	69	62%	0.615	33%	0.329	S	S	*	.	H	α-helix	trans	-66.7	-40	173.5	179.5	-106.6	0	0	0	112.7	R509 R510 G511 A516 A517	R509-N513 WeakPolarHBondContact O-CB 3.47Å; R509-N513 PolarHBondContact O-N 3.05Å; R510-N513 PolarHBondContact O-N 3.49Å; G511-N513 VanDerWaalsContact C-N 3.31Å; G511-N513 PolarHBondContact O-N 3.22Å; N513-A516 PolarHBondContact O-N 3.41Å; N513-A517 WeakPolarHBondContact O-CB 3.25Å; N513-A517 PolarHBondContact O-N 3.31Å
514	K	89.3	Confident	90.6	Very high	55 Å²	55	73.3 Å²	73.3	24%	0.239	35%	0.347	C	S	.	.	H	α-helix	trans	-62.9	-46	175.9	-161.2	-171.7	173.9	-166.9	0	111.6	Q25 L29 R510 G511 A517 Q518	Q25-K514 WeakPolarHBondContact O-CE 3.45Å; Q25-K514 PolarHBondContact O-NZ 3.37Å; L29-K514 HydrophobicContact CD1-CD 3.88Å; L29-K514 HydrophobicContact CD1-CG 4.05Å; L29-K514 HydrophobicContact CD2-CD 4.08Å; L29-K514 HydrophobicContact CG-CD 4.16Å; R510-K514 PolarHBondContact O-N 3.24Å; G511-K514 PolarHBondContact O-N 3.04Å; G511-K514 VanDerWaalsContact O-N 3.15Å; K514-A517 PolarHBondContact O-N 2.93Å; K514-Q518 PolarHBondContact O-N 3.03Å
515	V	88.8	Confident	90.2	Very high	51 Å²	51	76.8 Å²	76.8	31%	0.309	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-39.5	175.5	175.4	0	0	0	0	111.6	G511 A517 Q518 N519	G511-V515 WeakPolarHBondContact O-CG2 3.21Å; G511-V515 PolarHBondContact O-N 2.79Å; V515-A517 PolarHBondContact O-N 2.85Å; V515-Q518 PolarHBondContact O-N 3.38Å; V515-N519 WeakPolarHBondContact O-CB 3.38Å; V515-N519 PolarHBondContact O-N 3.35Å
516	A	90.1	Very high	89.9	Confident	56 Å²	56	72.1 Å²	72.1	46%	0.463	35%	0.35	S	S	.	.	H	α-helix	trans	-62.8	-41.1	174.5	0	0	0	0	0	112.3	K512 N513 N519 C520	K512-A516 VanDerWaalsContact O-CB 3.27Å; K512-A516 WeakPolarHBondContact O-CB 3.45Å; K512-A516 PolarHBondContact O-N 3.2Å; N513-A516 PolarHBondContact O-N 3.41Å; A516-N519 PolarHBondContact O-N 2.99Å; A516-C520 VanDerWaalsContact O-CB 3.3Å; A516-C520 WeakPolarHBondContact O-CB 3.48Å; A516-C520 PolarHBondContact O-N 3.02Å
517	A	88.6	Confident	89.8	Confident	37 Å²	37	72.9 Å²	72.9	31%	0.306	35%	0.354	S	S	.	.	H	α-helix	trans	-67.4	-34.3	175.7	0	0	0	0	0	112.8	N513 K514 V515 R521	N513-A517 WeakPolarHBondContact O-CB 3.25Å; N513-A517 PolarHBondContact O-N 3.31Å; K514-A517 PolarHBondContact O-N 2.93Å; V515-A517 PolarHBondContact O-N 2.85Å; A517-R521 WeakPolarHBondContact O-CG 3.49Å; A517-R521 PolarHBondContact O-N 3.14Å; A517-R521 VanDerWaalsContact O-N 3.17Å; A517-R521 PolarHBondContact O-NE 3.47Å
518	Q	84.9	Confident	89.7	Confident	39 Å²	39	75.4 Å²	75.4	18%	0.182	37%	0.367	C	S	.	.	H	α-helix	trans	-66.9	-48.1	172.3	-173.8	-170.8	13	0	0	111.1	L29 K514 V515 C520 R521 K522	L29-Q518 HydrophobicContact CD1-CB 4.46Å; L29-Q518 VanDerWaalsContact CD1-OE1 3.28Å; K514-Q518 PolarHBondContact O-N 3.03Å; V515-Q518 PolarHBondContact O-N 3.38Å; Q518-C520 VanDerWaalsContact C-N 3.31Å; Q518-C520 PolarHBondContact O-N 2.83Å; Q518-R521 PolarHBondContact O-N 3.44Å; Q518-K522 PolarHBondContact O-N 2.73Å
519	N	89.2	Confident	89.3	Confident	90 Å²	90	74.5 Å²	74.5	48%	0.481	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-34.6	177.6	-76	-19.3	0	0	0	112.7	V515 A516 R523	V515-N519 WeakPolarHBondContact O-CB 3.38Å; V515-N519 PolarHBondContact O-N 3.35Å; A516-N519 PolarHBondContact O-N 2.99Å; N519-R523 WeakPolarHBondContact O-CB 3.37Å; N519-R523 PolarHBondContact O-N 3.08Å
520	C	91.8	Very high	89	Confident	87 Å²	87	72 Å²	72	59%	0.588	36%	0.36	S	S	*	.	H	α-helix	trans	-62.9	-46.6	172.6	-177	0	0	0	0	111.5	A516 Q518 R523 K524	A516-C520 VanDerWaalsContact O-CB 3.3Å; A516-C520 WeakPolarHBondContact O-CB 3.48Å; A516-C520 PolarHBondContact O-N 3.02Å; Q518-C520 VanDerWaalsContact C-N 3.31Å; Q518-C520 PolarHBondContact O-N 2.83Å; C520-R523 PolarHBondContact O-N 3.33Å; C520-K524 PolarHBondContact O-N 2.93Å
521	R	87.6	Confident	89.1	Confident	51 Å²	51	72.9 Å²	72.9	19%	0.192	37%	0.369	C	S	.	.	H	α-helix	trans	-62.8	-46	174.8	-78.2	174.8	-80.8	162.8	-2.5	112.3	L22 D26 A517 Q518 R523 K524 M525	L22-R521 VanDerWaalsContact C-NH1 3.3Å; L22-R521 PolarHBondContact O-NH1 3.32Å; D26-R521 VanDerWaalsContact CG-CZ 3.49Å; D26-R521 IonicContact OD1-CZ 3.09Å; D26-R521 IonicContact OD1-NH1 2.67Å; D26-R521 PolarHBondContact OD1-NH1 2.83Å; D26-R521 IonicContact OD1-NH2 3.08Å; D26-R521 PolarHBondContact OD1-NH2 2.89Å; D26-R521 IonicContact OD2-CZ 2.73Å; D26-R521 IonicContact OD2-NE 3.31Å; D26-R521 IonicContact OD2-NH1 3.61Å; D26-R521 PolarHBondContact OD2-NH1 2.86Å; D26-R521 IonicContact OD2-NH2 3.53Å; A517-R521 WeakPolarHBondContact O-CG 3.49Å; A517-R521 PolarHBondContact O-N 3.14Å; A517-R521 VanDerWaalsContact O-N 3.17Å; A517-R521 PolarHBondContact O-NE 3.47Å; Q518-R521 PolarHBondContact O-N 3.44Å; R521-R523 PolarHBondContact O-N 2.89Å; R521-K524 PolarHBondContact O-N 2.88Å; R521-K524 VanDerWaalsContact O-N 3.16Å; R521-M525 WeakPolarHBondContact O-CG 3.45Å; R521-M525 PolarHBondContact O-N 3.08Å
522	K	85.6	Confident	88.9	Confident	91 Å²	91	75.3 Å²	75.3	40%	0.396	38%	0.378	S	S	.	.	H	α-helix	trans	-53.9	-53.9	175	177.3	176.1	171.8	177	0	111.4	Q518 K524 M525 E526	Q518-K522 PolarHBondContact O-N 2.73Å; K522-K524 VanDerWaalsContact C-N 3.28Å; K522-K524 PolarHBondContact O-N 3.37Å; K522-M525 PolarHBondContact O-N 3.49Å; K522-M525 VanDerWaalsContact O-N 3.14Å; K522-E526 WeakPolarHBondContact CE-OE1 3.27Å; K522-E526 WeakPolarHBondContact CG-OE1 3.27Å; K522-E526 IonicContact NZ-OE1 3.73Å; K522-E526 WeakPolarHBondContact O-CG 3.33Å; K522-E526 PolarHBondContact O-N 2.68Å
523	R	90.3	Very high	88.8	Confident	189 Å²	189	76.6 Å²	76.6	71%	0.713	38%	0.38	S	S	*	.	H	α-helix	trans	-59.6	-37.2	177.9	-173.5	-176.3	-65	166.1	-2.3	112.4	N519 C520 R521 E526 N527	N519-R523 WeakPolarHBondContact O-CB 3.37Å; N519-R523 PolarHBondContact O-N 3.08Å; C520-R523 PolarHBondContact O-N 3.33Å; R521-R523 PolarHBondContact O-N 2.89Å; R523-E526 PolarHBondContact O-N 2.95Å; R523-N527 WeakPolarHBondContact O-CB 3.27Å; R523-N527 PolarHBondContact O-N 3.15Å
524	K	90.4	Very high	88.8	Confident	109 Å²	109	74.6 Å²	74.6	47%	0.474	37%	0.37	S	S	.	.	H	α-helix	trans	-69.6	-33.2	178.3	-174.8	54.4	-175.7	162.4	0	112.7	C520 R521 K522 I528	C520-K524 PolarHBondContact O-N 2.93Å; R521-K524 PolarHBondContact O-N 2.88Å; R521-K524 VanDerWaalsContact O-N 3.16Å; K522-K524 VanDerWaalsContact C-N 3.28Å; K522-K524 PolarHBondContact O-N 3.37Å; K524-I528 HydrophobicContact CD-CD1 4.49Å; K524-I528 HydrophobicContact CG-CD1 4.43Å; K524-I528 WeakPolarHBondContact O-CD1 3.37Å; K524-I528 VanDerWaalsContact O-CG1 3.29Å; K524-I528 WeakPolarHBondContact O-CG1 3.36Å; K524-I528 PolarHBondContact O-N 2.99Å
525	M	84.6	Confident	89.1	Confident	73 Å²	73	76.6 Å²	76.6	36%	0.36	38%	0.383	S	S	.	.	H	α-helix	trans	-71.1	-40.2	172.3	-63.7	-63	96.8	0	0	111.8	F36 R521 K522 I528 V529	F36-M525 HydrophobicContact CD1-CG 4.39Å; R521-M525 WeakPolarHBondContact O-CG 3.45Å; R521-M525 PolarHBondContact O-N 3.08Å; K522-M525 PolarHBondContact O-N 3.49Å; K522-M525 VanDerWaalsContact O-N 3.14Å; M525-I528 HydrophobicContact CE-CD1 3.85Å; M525-I528 PolarHBondContact O-N 2.75Å; M525-V529 PolarHBondContact O-N 3.05Å
526	E	86.4	Confident	89.3	Confident	70 Å²	70	78.1 Å²	78.1	33%	0.327	39%	0.389	S	S	.	.	H	α-helix	trans	-59.3	-50.3	175.8	-77.9	160.5	171.7	0	0	111.7	R41 K522 R523 I528 V529 E530	R41-E526 IonicContact NH1-OE1 3.8Å; K522-E526 WeakPolarHBondContact CE-OE1 3.27Å; K522-E526 WeakPolarHBondContact CG-OE1 3.27Å; K522-E526 IonicContact NZ-OE1 3.73Å; K522-E526 WeakPolarHBondContact O-CG 3.33Å; K522-E526 PolarHBondContact O-N 2.68Å; R523-E526 PolarHBondContact O-N 2.95Å; E526-I528 VanDerWaalsContact C-N 3.28Å; E526-I528 PolarHBondContact O-N 2.98Å; E526-V529 PolarHBondContact O-N 3.01Å; E526-E530 WeakPolarHBondContact O-CB 3.45Å; E526-E530 PolarHBondContact O-N 2.87Å
527	N	91.3	Very high	89.5	Confident	56 Å²	56	78.1 Å²	78.1	30%	0.299	39%	0.386	S	S	.	.	H	α-helix	trans	-68.1	-22.3	178.7	176.6	-115.7	0	0	0	113.9	R523 E530 L531	R523-N527 WeakPolarHBondContact O-CB 3.27Å; R523-N527 PolarHBondContact O-N 3.15Å; N527-E530 PolarHBondContact ND2-OE2 3.22Å; N527-L531 WeakPolarHBondContact O-CB 3.38Å; N527-L531 WeakPolarHBondContact O-CD1 3.48Å; N527-L531 WeakPolarHBondContact O-CG 3.37Å; N527-L531 PolarHBondContact O-N 2.75Å; N527-L531 VanDerWaalsContact O-N 3.14Å
528	I	88.9	Confident	89.9	Confident	53 Å²	53	81.4 Å²	81.4	27%	0.272	40%	0.397	S	S	.	.	H	α-helix	trans	-70.5	-48	171.8	-76.5	168.8	0	0	0	110.4	K524 M525 E526 E530 L531 E532	K524-I528 HydrophobicContact CD-CD1 4.49Å; K524-I528 HydrophobicContact CG-CD1 4.43Å; K524-I528 WeakPolarHBondContact O-CD1 3.37Å; K524-I528 VanDerWaalsContact O-CG1 3.29Å; K524-I528 WeakPolarHBondContact O-CG1 3.36Å; K524-I528 PolarHBondContact O-N 2.99Å; M525-I528 HydrophobicContact CE-CD1 3.85Å; M525-I528 PolarHBondContact O-N 2.75Å; E526-I528 VanDerWaalsContact C-N 3.28Å; E526-I528 PolarHBondContact O-N 2.98Å; I528-E530 VanDerWaalsContact C-N 3.32Å; I528-E530 PolarHBondContact O-N 2.89Å; I528-L531 PolarHBondContact O-N 3.27Å; I528-E532 HydrophobicContact CG2-CG 4.42Å; I528-E532 WeakPolarHBondContact CG2-OE1 3.4Å; I528-E532 VanDerWaalsContact O-CG 3.31Å; I528-E532 WeakPolarHBondContact O-CG 3.47Å; I528-E532 PolarHBondContact O-N 3.41Å
529	V	86.3	Confident	90.4	Very high	11 Å²	11	85.1 Å²	85.1	7%	0.067	41%	0.413	C	S	.	.	H	α-helix	trans	-68.9	-31.7	-179.9	175.2	0	0	0	0	112.4	Y38 R41 M525 E526 E532 Y533	Y38-V529 HydrophobicContact CD2-CG2 4.45Å; Y38-V529 HydrophobicContact CE2-CG2 4.39Å; R41-V529 HydrophobicContact CG-CG1 4.35Å; R41-V529 HydrophobicContact CG-CG2 4.34Å; M525-V529 PolarHBondContact O-N 3.05Å; E526-V529 PolarHBondContact O-N 3.01Å; V529-E532 WeakPolarHBondContact CA-OE2 3.46Å; V529-Y533 WeakPolarHBondContact O-CB 3.22Å; V529-Y533 PolarHBondContact O-N 3.42Å
530	E	89.2	Confident	90.7	Very high	107 Å²	107	87.1 Å²	87.1	50%	0.5	42%	0.419	S	S	.	.	H	α-helix	trans	-58.2	-53.5	167.8	-179.1	179.2	-127.7	0	0	111.5	E526 N527 I528 E532 Y533 D534	E526-E530 WeakPolarHBondContact O-CB 3.45Å; E526-E530 PolarHBondContact O-N 2.87Å; N527-E530 PolarHBondContact ND2-OE2 3.22Å; I528-E530 VanDerWaalsContact C-N 3.32Å; I528-E530 PolarHBondContact O-N 2.89Å; E530-E532 VanDerWaalsContact C-N 3.33Å; E530-E532 PolarHBondContact O-N 3.4Å; E530-Y533 WeakPolarHBondContact O-CB 3.42Å; E530-Y533 PolarHBondContact O-N 3.38Å; E530-D534 PolarHBondContact O-N 2.91Å
531	L	93.5	Very high	91	Very high	83 Å²	83	86.5 Å²	86.5	44%	0.435	41%	0.408	S	S	.	.	H	α-helix	trans	-65.3	-32.4	178.3	-72.1	169	0	0	0	113.3	N527 I528 L535	N527-L531 WeakPolarHBondContact O-CB 3.38Å; N527-L531 WeakPolarHBondContact O-CD1 3.48Å; N527-L531 WeakPolarHBondContact O-CG 3.37Å; N527-L531 PolarHBondContact O-N 2.75Å; N527-L531 VanDerWaalsContact O-N 3.14Å; I528-L531 PolarHBondContact O-N 3.27Å; L531-L535 WeakPolarHBondContact O-CB 3.11Å; L531-L535 WeakPolarHBondContact O-CG 3.18Å; L531-L535 PolarHBondContact O-N 2.88Å
532	E	87.3	Confident	91.4	Very high	63 Å²	63	90.4 Å²	90.4	29%	0.294	43%	0.427	S	S	.	.	H	α-helix	trans	-69.4	-40.5	175	-73.5	163.3	159.6	0	0	111.7	Y38 I528 V529 E530 L535 D536	Y38-E532 VanDerWaalsContact CE2-OE2 3.23Å; Y38-E532 WeakPolarHBondContact CE2-OE2 3.35Å; Y38-E532 PolarHBondContact OH-OE2 2.91Å; I528-E532 HydrophobicContact CG2-CG 4.42Å; I528-E532 WeakPolarHBondContact CG2-OE1 3.4Å; I528-E532 VanDerWaalsContact O-CG 3.31Å; I528-E532 WeakPolarHBondContact O-CG 3.47Å; I528-E532 PolarHBondContact O-N 3.41Å; V529-E532 WeakPolarHBondContact CA-OE2 3.46Å; E530-E532 VanDerWaalsContact C-N 3.33Å; E530-E532 PolarHBondContact O-N 3.4Å; E532-L535 PolarHBondContact O-N 3.18Å; E532-D536 PolarHBondContact O-N 3.02Å
533	Y	87.9	Confident	92	Very high	122 Å²	122	91.2 Å²	91.2	48%	0.478	43%	0.432	S	S	.	.	H	α-helix	trans	-61.2	-46.6	171.7	172.3	-91.3	0	0	0	111.6	V529 E530 L535 D536 S537	V529-Y533 WeakPolarHBondContact O-CB 3.22Å; V529-Y533 PolarHBondContact O-N 3.42Å; E530-Y533 WeakPolarHBondContact O-CB 3.42Å; E530-Y533 PolarHBondContact O-N 3.38Å; Y533-L535 VanDerWaalsContact C-N 3.34Å; Y533-L535 PolarHBondContact O-N 2.94Å; Y533-D536 PolarHBondContact O-N 3.05Å; Y533-S537 WeakPolarHBondContact O-CB 3.48Å; Y533-S537 PolarHBondContact O-N 3.43Å
534	D	93.4	Very high	92.4	Very high	74 Å²	74	88.5 Å²	88.5	40%	0.396	42%	0.421	S	S	.	.	H	α-helix	trans	-61.7	-41.9	176.7	-73.6	-16.4	0	0	0	111.5	E530 D536 S537 L538	E530-D534 PolarHBondContact O-N 2.91Å; D534-D536 PolarHBondContact O-N 2.83Å; D534-S537 PolarHBondContact O-N 3.41Å; D534-L538 WeakPolarHBondContact O-CB 3.48Å; D534-L538 VanDerWaalsContact O-CG 3.22Å; D534-L538 WeakPolarHBondContact O-CG 3.25Å; D534-L538 PolarHBondContact O-N 3.11Å
535	L	95.2	Very high	92.8	Very high	97 Å²	97	87.4 Å²	87.4	51%	0.508	42%	0.42	S	S	.	.	H	α-helix	trans	-63.2	-39	175.5	-78.1	169.6	0	0	0	112.6	L531 E532 Y533 K539	L531-L535 WeakPolarHBondContact O-CB 3.11Å; L531-L535 WeakPolarHBondContact O-CG 3.18Å; L531-L535 PolarHBondContact O-N 2.88Å; E532-L535 PolarHBondContact O-N 3.18Å; Y533-L535 VanDerWaalsContact C-N 3.34Å; Y533-L535 PolarHBondContact O-N 2.94Å; L535-K539 WeakPolarHBondContact O-CD 3.3Å; L535-K539 WeakPolarHBondContact O-CE 3.25Å; L535-K539 WeakPolarHBondContact O-CG 3.27Å; L535-K539 PolarHBondContact O-N 2.86Å; L535-K539 VanDerWaalsContact O-N 3.08Å
536	D	92.6	Very high	93.4	Very high	83 Å²	83	89.4 Å²	89.4	44%	0.444	43%	0.429	S	S	.	.	H	α-helix	trans	-72.8	-39.8	176.6	-80.1	-9.1	0	0	0	112.2	E532 Y533 D534 K539 E540	E532-D536 PolarHBondContact O-N 3.02Å; Y533-D536 PolarHBondContact O-N 3.05Å; D534-D536 PolarHBondContact O-N 2.83Å; D536-K539 WeakPolarHBondContact O-CB 3.46Å; D536-K539 PolarHBondContact O-N 2.83Å; D536-K539 IonicContact OD1-NZ 2.71Å; D536-K539 PolarHBondContact OD1-NZ 2.85Å; D536-E540 PolarHBondContact O-N 2.62Å
537	S	95.1	Very high	93.9	Very high	56 Å²	56	92.3 Å²	92.3	39%	0.392	44%	0.437	S	S	.	.	H	α-helix	trans	-57.5	-48.4	171.8	-176.9	0	0	0	0	111.6	Y533 D534 K539 E540 E541	Y533-S537 WeakPolarHBondContact O-CB 3.48Å; Y533-S537 PolarHBondContact O-N 3.43Å; D534-S537 PolarHBondContact O-N 3.41Å; S537-K539 VanDerWaalsContact C-N 3.32Å; S537-K539 PolarHBondContact O-N 2.82Å; S537-E540 PolarHBondContact O-N 2.86Å; S537-E541 PolarHBondContact O-N 2.87Å
538	L	97.3	Very high	94.3	Very high	105 Å²	105	94.3 Å²	94.3	55%	0.55	44%	0.444	S	S	.	.	H	α-helix	trans	-66.7	-28.8	177.1	-71.2	168.8	0	0	0	113	D534 K542	D534-L538 WeakPolarHBondContact O-CB 3.48Å; D534-L538 VanDerWaalsContact O-CG 3.22Å; D534-L538 WeakPolarHBondContact O-CG 3.25Å; D534-L538 PolarHBondContact O-N 3.11Å; L538-K542 WeakPolarHBondContact O-CB 3.09Å; L538-K542 PolarHBondContact O-N 3.39Å
539	K	95.1	Very high	94.7	Very high	117 Å²	117	99.4 Å²	99.4	51%	0.509	47%	0.465	S	S	.	.	H	α-helix	trans	-67.9	-46	170.8	-72.8	161.4	-147.4	159.8	0	111	L535 D536 S537 K542 E543	L535-K539 WeakPolarHBondContact O-CD 3.3Å; L535-K539 WeakPolarHBondContact O-CE 3.25Å; L535-K539 WeakPolarHBondContact O-CG 3.27Å; L535-K539 PolarHBondContact O-N 2.86Å; L535-K539 VanDerWaalsContact O-N 3.08Å; D536-K539 WeakPolarHBondContact O-CB 3.46Å; D536-K539 PolarHBondContact O-N 2.83Å; D536-K539 IonicContact OD1-NZ 2.71Å; D536-K539 PolarHBondContact OD1-NZ 2.85Å; S537-K539 VanDerWaalsContact C-N 3.32Å; S537-K539 PolarHBondContact O-N 2.82Å; K539-K542 PolarHBondContact O-N 3Å; K539-E543 PolarHBondContact O-N 3.15Å
540	E	95.9	Very high	95.2	Very high	132 Å²	132	103.2 Å²	103.2	62%	0.617	49%	0.488	S	S	*	.	H	α-helix	trans	-63.9	-45.3	178.5	-174.7	175	177.1	0	0	111.4	D536 S537 K542 E543 R544	D536-E540 PolarHBondContact O-N 2.62Å; S537-E540 PolarHBondContact O-N 2.86Å; E540-K542 PolarHBondContact O-N 3.16Å; E540-E543 PolarHBondContact O-N 2.84Å; E540-R544 WeakPolarHBondContact O-CB 3.48Å; E540-R544 PolarHBondContact O-N 2.92Å
541	E	97	Very high	95.6	Very high	75 Å²	75	105.1 Å²	105.1	35%	0.35	50%	0.495	S	S	.	.	H	α-helix	trans	-61	-45.1	175	170.6	156.8	-127.9	0	0	112	S537 E543 R544 L545	S537-E541 PolarHBondContact O-N 2.87Å; E541-E543 VanDerWaalsContact C-N 3.28Å; E541-E543 PolarHBondContact O-N 3.27Å; E541-R544 WeakPolarHBondContact O-CB 3.45Å; E541-R544 PolarHBondContact O-N 2.98Å; E541-R544 IonicContact OE1-CZ 2.71Å; E541-R544 IonicContact OE1-NH2 2.62Å; E541-R544 PolarHBondContact OE1-NH2 3.36Å; E541-L545 HydrophobicContact CG-CD1 3.71Å; E541-L545 HydrophobicContact CG-CG 4.19Å; E541-L545 WeakPolarHBondContact O-CB 3.44Å; E541-L545 WeakPolarHBondContact O-CG 3.45Å; E541-L545 PolarHBondContact O-N 3.5Å
542	K	96.9	Very high	95.8	Very high	133 Å²	133	104.7 Å²	104.7	58%	0.578	49%	0.493	S	S	*	.	H	α-helix	trans	-58.5	-41.5	175.9	176.1	-177.7	174.7	-175.4	0	111.5	L538 K539 E540 Q546	L538-K542 WeakPolarHBondContact O-CB 3.09Å; L538-K542 PolarHBondContact O-N 3.39Å; K539-K542 PolarHBondContact O-N 3Å; E540-K542 PolarHBondContact O-N 3.16Å; K542-Q546 VanDerWaalsContact O-CB 3.24Å; K542-Q546 WeakPolarHBondContact O-CB 3.2Å; K542-Q546 PolarHBondContact O-N 2.93Å
543	E	97.8	Very high	96.3	Very high	107 Å²	107	110.1 Å²	110.1	50%	0.5	51%	0.512	S	S	.	.	H	α-helix	trans	-68.1	-42.4	176.9	-158.8	-149.1	96.4	0	0	111.9	K539 E540 E541 Q546 R547	K539-E543 PolarHBondContact O-N 3.15Å; E540-E543 PolarHBondContact O-N 2.84Å; E541-E543 VanDerWaalsContact C-N 3.28Å; E541-E543 PolarHBondContact O-N 3.27Å; E543-Q546 PolarHBondContact O-N 3.11Å; E543-R547 WeakPolarHBondContact O-CB 3.41Å; E543-R547 WeakPolarHBondContact O-CG 3.48Å; E543-R547 PolarHBondContact O-N 3.02Å; E543-R547 IonicContact OE1-CZ 3.51Å; E543-R547 IonicContact OE1-NE 3.13Å; E543-R547 PolarHBondContact OE1-NE 3.46Å; E543-R547 IonicContact OE1-NH2 3.45Å; E543-R547 PolarHBondContact OE1-NH2 2.95Å
544	R	98.3	Very high	96.7	Very high	132 Å²	132	107.5 Å²	107.5	50%	0.498	51%	0.511	S	S	.	.	H	α-helix	trans	-55.2	-52.4	173	173.9	-178.2	75.5	174.7	4.3	111.4	E540 E541 Q546 R547 E548	E540-R544 WeakPolarHBondContact O-CB 3.48Å; E540-R544 PolarHBondContact O-N 2.92Å; E541-R544 WeakPolarHBondContact O-CB 3.45Å; E541-R544 PolarHBondContact O-N 2.98Å; E541-R544 IonicContact OE1-CZ 2.71Å; E541-R544 IonicContact OE1-NH2 2.62Å; E541-R544 PolarHBondContact OE1-NH2 3.36Å; R544-Q546 VanDerWaalsContact C-N 3.33Å; R544-Q546 PolarHBondContact O-N 3.42Å; R544-R547 WeakPolarHBondContact O-CB 3.36Å; R544-R547 PolarHBondContact O-N 3.02Å; R544-E548 PolarHBondContact O-N 2.92Å
545	L	98.3	Very high	96.9	Very high	87 Å²	87	106.5 Å²	106.5	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-35.1	179	-69.3	171	0	0	0	111.8	E541 E548 K549	E541-L545 HydrophobicContact CG-CD1 3.71Å; E541-L545 HydrophobicContact CG-CG 4.19Å; E541-L545 WeakPolarHBondContact O-CB 3.44Å; E541-L545 WeakPolarHBondContact O-CG 3.45Å; E541-L545 PolarHBondContact O-N 3.5Å; L545-E548 PolarHBondContact O-N 3.37Å; L545-K549 VanDerWaalsContact O-CB 3.27Å; L545-K549 WeakPolarHBondContact O-CB 3.42Å; L545-K549 PolarHBondContact O-N 2.61Å
546	Q	97.6	Very high	96.9	Very high	115 Å²	115	105.1 Å²	105.1	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-69.5	-39.8	175.2	-172.4	165.4	-34.6	0	0	111.9	K542 E543 R544 K549 T550	K542-Q546 VanDerWaalsContact O-CB 3.24Å; K542-Q546 WeakPolarHBondContact O-CB 3.2Å; K542-Q546 PolarHBondContact O-N 2.93Å; E543-Q546 PolarHBondContact O-N 3.11Å; R544-Q546 VanDerWaalsContact C-N 3.33Å; R544-Q546 PolarHBondContact O-N 3.42Å; Q546-K549 PolarHBondContact O-N 3.47Å; Q546-T550 WeakPolarHBondContact O-CG2 3.44Å; Q546-T550 PolarHBondContact O-N 3.01Å; Q546-T550 VanDerWaalsContact O-N 3.1Å
547	R	98	Very high	97.1	Very high	131 Å²	131	109.4 Å²	109.4	49%	0.494	52%	0.515	S	S	.	.	H	α-helix	trans	-59.1	-50.1	169.9	-79.6	-173.5	-94.7	128.8	-9.2	110.9	E543 R544 K549 T550 K551	E543-R547 WeakPolarHBondContact O-CB 3.41Å; E543-R547 WeakPolarHBondContact O-CG 3.48Å; E543-R547 PolarHBondContact O-N 3.02Å; E543-R547 IonicContact OE1-CZ 3.51Å; E543-R547 IonicContact OE1-NE 3.13Å; E543-R547 PolarHBondContact OE1-NE 3.46Å; E543-R547 IonicContact OE1-NH2 3.45Å; E543-R547 PolarHBondContact OE1-NH2 2.95Å; R544-R547 WeakPolarHBondContact O-CB 3.36Å; R544-R547 PolarHBondContact O-N 3.02Å; R547-K549 PolarHBondContact O-N 3.34Å; R547-T550 PolarHBondContact O-N 2.67Å; R547-T550 VanDerWaalsContact O-N 3.17Å; R547-T550 PolarHBondContact O-OG1 3.43Å; R547-K551 PolarHBondContact O-N 3.28Å
548	E	98.1	Very high	97.1	Very high	98 Å²	98	112.2 Å²	112.2	46%	0.458	52%	0.522	S	S	.	.	H	α-helix	trans	-60.8	-44.6	179	-158	-155.6	130.2	0	0	111.9	R544 L545 T550 K551 N552	R544-E548 PolarHBondContact O-N 2.92Å; L545-E548 PolarHBondContact O-N 3.37Å; E548-T550 VanDerWaalsContact C-N 3.29Å; E548-T550 PolarHBondContact O-N 3.3Å; E548-K551 WeakPolarHBondContact O-CB 3.48Å; E548-K551 PolarHBondContact O-N 3.1Å; E548-K551 VanDerWaalsContact O-N 3.08Å; E548-N552 WeakPolarHBondContact O-CB 3.43Å; E548-N552 VanDerWaalsContact O-CG 3.28Å; E548-N552 PolarHBondContact O-N 3.45Å; E548-N552 PolarHBondContact OE1-ND2 3.01Å
549	K	97.6	Very high	97.1	Very high	160 Å²	160	111.7 Å²	111.7	70%	0.696	52%	0.518	S	S	*	.	H	α-helix	trans	-55.4	-41.5	174.5	-177.6	174.2	-179.4	173.3	0	112.5	L545 Q546 R547 Y553	L545-K549 VanDerWaalsContact O-CB 3.27Å; L545-K549 WeakPolarHBondContact O-CB 3.42Å; L545-K549 PolarHBondContact O-N 2.61Å; Q546-K549 PolarHBondContact O-N 3.47Å; R547-K549 PolarHBondContact O-N 3.34Å; K549-Y553 WeakPolarHBondContact O-CB 3.45Å; K549-Y553 PolarHBondContact O-N 2.89Å
550	T	97.3	Very high	97	Very high	90 Å²	90	109 Å²	109	55%	0.552	51%	0.507	S	S	*	.	H	α-helix	trans	-68.9	-40	175.5	61.4	0	0	0	0	112.7	Q546 R547 E548 Y553 S554	Q546-T550 WeakPolarHBondContact O-CG2 3.44Å; Q546-T550 PolarHBondContact O-N 3.01Å; Q546-T550 VanDerWaalsContact O-N 3.1Å; R547-T550 PolarHBondContact O-N 2.67Å; R547-T550 VanDerWaalsContact O-N 3.17Å; R547-T550 PolarHBondContact O-OG1 3.43Å; E548-T550 VanDerWaalsContact C-N 3.29Å; E548-T550 PolarHBondContact O-N 3.3Å; T550-Y553 PolarHBondContact O-N 3.06Å; T550-S554 PolarHBondContact O-N 2.87Å; T550-S554 PolarHBondContact O-OG 3.37Å
551	K	97.8	Very high	96.9	Very high	148 Å²	148	108.9 Å²	108.9	64%	0.643	51%	0.506	S	S	*	.	H	α-helix	trans	-60.2	-50.1	174	-173.8	-172.7	178	-170.9	0	111	R547 E548 Y553 S554 S555	R547-K551 PolarHBondContact O-N 3.28Å; E548-K551 WeakPolarHBondContact O-CB 3.48Å; E548-K551 PolarHBondContact O-N 3.1Å; E548-K551 VanDerWaalsContact O-N 3.08Å; K551-Y553 VanDerWaalsContact C-N 3.34Å; K551-Y553 PolarHBondContact O-N 3.41Å; K551-S554 PolarHBondContact O-N 3.14Å; K551-S554 VanDerWaalsContact O-N 3.13Å; K551-S554 PolarHBondContact O-OG 3.29Å; K551-S555 PolarHBondContact O-N 2.93Å
552	N	97.3	Very high	96.8	Very high	74 Å²	74	110.4 Å²	110.4	40%	0.396	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-39.7	-179	-64.6	-8.7	0	0	0	111.1	E548 S555 V556	E548-N552 WeakPolarHBondContact O-CB 3.43Å; E548-N552 VanDerWaalsContact O-CG 3.28Å; E548-N552 PolarHBondContact O-N 3.45Å; E548-N552 PolarHBondContact OE1-ND2 3.01Å; N552-S555 PolarHBondContact O-N 3.35Å; N552-V556 WeakPolarHBondContact O-CG2 3.37Å; N552-V556 PolarHBondContact O-N 2.83Å
553	Y	97	Very high	96.5	Very high	177 Å²	177	106.1 Å²	106.1	69%	0.694	50%	0.496	S	S	*	.	H	α-helix	trans	-62.2	-41.5	172.1	-173.6	-96.6	0	0	0	112.7	K549 T550 K551 R557	K549-Y553 WeakPolarHBondContact O-CB 3.45Å; K549-Y553 PolarHBondContact O-N 2.89Å; T550-Y553 PolarHBondContact O-N 3.06Å; K551-Y553 VanDerWaalsContact C-N 3.34Å; K551-Y553 PolarHBondContact O-N 3.41Å; Y553-R557 WeakPolarHBondContact O-CB 3.44Å; Y553-R557 PolarHBondContact O-N 3.28Å
554	S	96.8	Very high	96.1	Very high	67 Å²	67	102.9 Å²	102.9	47%	0.469	48%	0.482	S	S	.	.	H	α-helix	trans	-65.4	-38.3	174.7	67	0	0	0	0	113	T550 K551 R557 Q558	T550-S554 PolarHBondContact O-N 2.87Å; T550-S554 PolarHBondContact O-OG 3.37Å; K551-S554 PolarHBondContact O-N 3.14Å; K551-S554 VanDerWaalsContact O-N 3.13Å; K551-S554 PolarHBondContact O-OG 3.29Å; S554-R557 PolarHBondContact O-N 3.21Å; S554-Q558 PolarHBondContact O-N 2.89Å
555	S	97.5	Very high	95.8	Very high	53 Å²	53	100.4 Å²	100.4	37%	0.371	48%	0.482	S	S	.	.	H	α-helix	trans	-64.8	-47.9	176.3	179.9	0	0	0	0	111.5	K551 N552 R557 Q558 M559	K551-S555 PolarHBondContact O-N 2.93Å; N552-S555 PolarHBondContact O-N 3.35Å; S555-R557 VanDerWaalsContact C-N 3.27Å; S555-R557 PolarHBondContact O-N 3.38Å; S555-Q558 PolarHBondContact O-N 3.4Å; S555-Q558 VanDerWaalsContact O-N 3.11Å; S555-M559 WeakPolarHBondContact O-CG 3.4Å; S555-M559 PolarHBondContact O-N 3.04Å
556	V	96	Very high	95.5	Very high	68 Å²	68	100.6 Å²	100.6	41%	0.412	48%	0.483	S	S	.	.	H	α-helix	trans	-60.3	-37.9	174.7	171.2	0	0	0	0	111.5	N552 M559 K560	N552-V556 WeakPolarHBondContact O-CG2 3.37Å; N552-V556 PolarHBondContact O-N 2.83Å; V556-M559 HydrophobicContact CG2-CE 4.16Å; V556-K560 WeakPolarHBondContact O-CB 3.38Å; V556-K560 WeakPolarHBondContact O-CG 3.35Å; V556-K560 PolarHBondContact O-N 3.18Å
557	R	95.5	Very high	95	Very high	173 Å²	173	95.4 Å²	95.4	65%	0.653	46%	0.459	S	S	*	.	H	α-helix	trans	-65.8	-40.9	174.1	-175.3	-179.6	175.4	-162.2	-2.6	112.4	Y553 S554 S555 K560 Q561	Y553-R557 WeakPolarHBondContact O-CB 3.44Å; Y553-R557 PolarHBondContact O-N 3.28Å; S554-R557 PolarHBondContact O-N 3.21Å; S555-R557 VanDerWaalsContact C-N 3.27Å; S555-R557 PolarHBondContact O-N 3.38Å; R557-K560 PolarHBondContact O-N 3.23Å; R557-Q561 PolarHBondContact O-N 2.86Å; R557-Q561 VanDerWaalsContact O-N 3.09Å
558	Q	97	Very high	94.5	Very high	114 Å²	114	92.5 Å²	92.5	53%	0.533	45%	0.453	S	S	.	.	H	α-helix	trans	-64.1	-50.4	176	178.2	175.5	-15.7	0	0	111	S554 S555 K560 Q561 E562	S554-Q558 PolarHBondContact O-N 2.89Å; S555-Q558 PolarHBondContact O-N 3.4Å; S555-Q558 VanDerWaalsContact O-N 3.11Å; Q558-K560 VanDerWaalsContact C-N 3.28Å; Q558-K560 PolarHBondContact O-N 2.89Å; Q558-Q561 WeakPolarHBondContact O-CA 3.22Å; Q558-Q561 WeakPolarHBondContact O-CB 3.47Å; Q558-Q561 PolarHBondContact O-N 3.46Å; Q558-E562 HydrophobicContact CG-CG 4.42Å; Q558-E562 VanDerWaalsContact CG-OE1 3.26Å; Q558-E562 WeakPolarHBondContact CG-OE1 3.4Å; Q558-E562 PolarHBondContact NE2-OE1 2.79Å; Q558-E562 PolarHBondContact O-N 2.9Å
559	M	96.1	Very high	94.1	Very high	94 Å²	94	93 Å²	93	46%	0.463	46%	0.455	S	S	.	.	H	α-helix	trans	-59.5	-37.5	176.9	-68.2	-175	-68.6	0	0	112.1	S555 V556 Q561 L563	S555-M559 WeakPolarHBondContact O-CG 3.4Å; S555-M559 PolarHBondContact O-N 3.04Å; V556-M559 HydrophobicContact CG2-CE 4.16Å; M559-Q561 VanDerWaalsContact C-N 3.33Å; M559-Q561 PolarHBondContact O-N 3.21Å; M559-L563 VanDerWaalsContact O-CB 3.22Å; M559-L563 WeakPolarHBondContact O-CB 3.32Å; M559-L563 PolarHBondContact O-N 3.46Å
560	K	92.5	Very high	93.7	Very high	62 Å²	62	88 Å²	88	27%	0.27	44%	0.438	S	S	.	.	H	α-helix	trans	-60.3	-39	170.6	-86	-170.4	164.8	-144.9	0	112.9	V290 F291 D294 V556 R557 Q558 N564	V290-K560 VanDerWaalsContact O-CE 3.29Å; V290-K560 WeakPolarHBondContact O-CE 3.17Å; V290-K560 PolarHBondContact O-NZ 3.24Å; F291-K560 HydrophobicContact CD1-CG 3.55Å; F291-K560 HydrophobicContact CE1-CG 3.62Å; D294-K560 IonicContact OD2-NZ 2.8Å; D294-K560 PolarHBondContact OD2-NZ 2.7Å; V556-K560 WeakPolarHBondContact O-CB 3.38Å; V556-K560 WeakPolarHBondContact O-CG 3.35Å; V556-K560 PolarHBondContact O-N 3.18Å; R557-K560 PolarHBondContact O-N 3.23Å; Q558-K560 VanDerWaalsContact C-N 3.28Å; Q558-K560 PolarHBondContact O-N 2.89Å; K560-N564 WeakPolarHBondContact O-CB 3.13Å; K560-N564 PolarHBondContact O-N 3.11Å
561	Q	94.1	Very high	93.2	Very high	129 Å²	129	83.9 Å²	83.9	60%	0.603	41%	0.412	S	S	*	.	H	α-helix	trans	-74.2	-40.4	179.1	-178.3	175.7	-23.3	0	0	112.4	R557 Q558 M559 N564 T565	R557-Q561 PolarHBondContact O-N 2.86Å; R557-Q561 VanDerWaalsContact O-N 3.09Å; Q558-Q561 WeakPolarHBondContact O-CA 3.22Å; Q558-Q561 WeakPolarHBondContact O-CB 3.47Å; Q558-Q561 PolarHBondContact O-N 3.46Å; M559-Q561 VanDerWaalsContact C-N 3.33Å; M559-Q561 PolarHBondContact O-N 3.21Å; Q561-N564 PolarHBondContact O-N 2.84Å; Q561-T565 WeakPolarHBondContact O-CB 3.3Å; Q561-T565 PolarHBondContact O-N 3.27Å; Q561-T565 PolarHBondContact O-OG1 3.04Å
562	E	95.4	Very high	92.5	Very high	106 Å²	106	80 Å²	80	50%	0.495	40%	0.403	S	S	.	.	H	α-helix	trans	-63.7	-46.1	175.1	-71.1	169.3	-176.7	0	0	110.6	Q558 N564 T565 L566	Q558-E562 HydrophobicContact CG-CG 4.42Å; Q558-E562 VanDerWaalsContact CG-OE1 3.26Å; Q558-E562 WeakPolarHBondContact CG-OE1 3.4Å; Q558-E562 PolarHBondContact NE2-OE1 2.79Å; Q558-E562 PolarHBondContact O-N 2.9Å; E562-N564 PolarHBondContact O-N 3.35Å; E562-T565 WeakPolarHBondContact O-CB 3.28Å; E562-T565 PolarHBondContact O-N 3.14Å; E562-L566 PolarHBondContact O-N 3.48Å
563	L	91.3	Very high	92	Very high	44 Å²	44	82.2 Å²	82.2	23%	0.23	42%	0.415	C	S	.	.	H	α-helix	trans	-64.5	-37.8	175.6	-175.6	59.1	0	0	0	112.8	F291 Y292 M559 T565 Y567	F291-L563 HydrophobicContact CB-CD2 3.83Å; F291-L563 HydrophobicContact CD1-CD2 3.79Å; F291-L563 HydrophobicContact CG-CD2 3.99Å; Y292-L563 HydrophobicContact CE1-CD1 4.2Å; Y292-L563 HydrophobicContact CE1-CD2 4.1Å; Y292-L563 HydrophobicContact CE1-CG 3.96Å; M559-L563 VanDerWaalsContact O-CB 3.22Å; M559-L563 WeakPolarHBondContact O-CB 3.32Å; M559-L563 PolarHBondContact O-N 3.46Å; L563-T565 VanDerWaalsContact C-N 3.35Å; L563-Y567 WeakPolarHBondContact O-CB 3.39Å; L563-Y567 PolarHBondContact O-N 3.36Å
564	N	88.6	Confident	91.5	Very high	39 Å²	39	76 Å²	76	21%	0.209	40%	0.395	C	S	.	.	H	α-helix	trans	-61.4	-43.8	172.5	176.9	-59.1	0	0	0	111.4	I295 K560 Q561 E562 Y567 L568	I295-N564 HydrophobicContact CD1-CB 4.29Å; K560-N564 WeakPolarHBondContact O-CB 3.13Å; K560-N564 PolarHBondContact O-N 3.11Å; Q561-N564 PolarHBondContact O-N 2.84Å; E562-N564 PolarHBondContact O-N 3.35Å; N564-Y567 PolarHBondContact O-N 3.01Å; N564-L568 WeakPolarHBondContact O-CG 3.24Å; N564-L568 PolarHBondContact O-N 3.36Å; N564-L568 WeakPolarHBondContact OD1-CD1 3.31Å
565	T	92.6	Very high	91	Very high	80 Å²	80	78.1 Å²	78.1	49%	0.491	39%	0.392	S	S	.	.	H	α-helix	trans	-62.3	-50.2	178.4	-53.4	0	0	0	0	110.6	Q561 E562 L563 Y567 L568 E569	Q561-T565 WeakPolarHBondContact O-CB 3.3Å; Q561-T565 PolarHBondContact O-N 3.27Å; Q561-T565 PolarHBondContact O-OG1 3.04Å; E562-T565 WeakPolarHBondContact O-CB 3.28Å; E562-T565 PolarHBondContact O-N 3.14Å; L563-T565 VanDerWaalsContact C-N 3.35Å; T565-Y567 PolarHBondContact O-N 3.29Å; T565-L568 PolarHBondContact O-N 3.19Å; T565-E569 WeakPolarHBondContact O-CB 3.35Å; T565-E569 PolarHBondContact O-N 2.86Å
566	L	91.1	Very high	90.3	Very high	91 Å²	91	77.2 Å²	77.2	48%	0.476	38%	0.383	S	S	.	.	H	α-helix	trans	-62.7	-39.1	177.5	-178.4	63.1	0	0	0	112.4	E562 L568 E569 V570	E562-L566 PolarHBondContact O-N 3.48Å; L566-L568 PolarHBondContact O-N 2.78Å; L566-E569 PolarHBondContact O-N 3.5Å; L566-V570 HydrophobicContact CD1-CG2 4.25Å; L566-V570 HydrophobicContact CG-CG2 4.47Å; L566-V570 WeakPolarHBondContact O-CG2 3.45Å; L566-V570 PolarHBondContact O-N 2.95Å
567	Y	88.4	Confident	89.6	Confident	6 Å²	6	83.1 Å²	83.1	2%	0.024	41%	0.407	C	S	.	.	H	α-helix	trans	-60.4	-45.5	176.2	-178.3	-92.8	0	0	0	111.7	Y292 I295 L563 N564 T565 F571 S588 L589 R602	Y292-Y567 AromaticContact CD1-CD2 3.4Å; Y292-Y567 HydrophobicContact CD1-CD2 3.4Å; Y292-Y567 AromaticContact CD1-CE2 3.45Å; Y292-Y567 HydrophobicContact CD1-CE2 3.45Å; Y292-Y567 VanDerWaalsContact CD1-CE2 3.45Å; Y292-Y567 HydrophobicContact CD1-CG 4.1Å; Y292-Y567 AromaticContact CE1-CD2 3.3Å; Y292-Y567 HydrophobicContact CE1-CD2 3.3Å; Y292-Y567 AromaticContact CE1-CE2 3.75Å; Y292-Y567 HydrophobicContact CE1-CE2 3.75Å; Y292-Y567 HydrophobicContact CE1-CG 4.1Å; Y292-Y567 HydrophobicContact CG-CD2 4.33Å; Y292-Y567 AromaticContact CG-CE2 3.95Å; Y292-Y567 HydrophobicContact CG-CE2 3.95Å; I295-Y567 HydrophobicContact CD1-CD1 3.72Å; I295-Y567 HydrophobicContact CD1-CD2 4.46Å; I295-Y567 HydrophobicContact CD1-CE1 4.07Å; I295-Y567 HydrophobicContact CD1-CG 3.91Å; I295-Y567 HydrophobicContact CG2-CD1 3.98Å; I295-Y567 HydrophobicContact CG2-CE1 4.09Å; L563-Y567 WeakPolarHBondContact O-CB 3.39Å; L563-Y567 PolarHBondContact O-N 3.36Å; N564-Y567 PolarHBondContact O-N 3.01Å; T565-Y567 PolarHBondContact O-N 3.29Å; Y567-F571 AromaticContact CD1-CD2 3.93Å; Y567-F571 HydrophobicContact CD1-CD2 3.93Å; Y567-F571 HydrophobicContact CD1-CE2 4.26Å; Y567-F571 AromaticContact CE1-CD2 3.73Å; Y567-F571 HydrophobicContact CE1-CD2 3.73Å; Y567-F571 AromaticContact CE1-CE2 3.63Å; Y567-F571 HydrophobicContact CE1-CE2 3.63Å; Y567-F571 HydrophobicContact CE2-CD2 4.49Å; Y567-F571 HydrophobicContact CE2-CE2 4.03Å; Y567-F571 HydrophobicContact CG-CD2 4.41Å; Y567-F571 AromaticContact CZ-CE2 3.53Å; Y567-F571 WeakPolarHBondContact O-CB 3.05Å; Y567-F571 WeakPolarHBondContact O-CD2 3.3Å; Y567-F571 PolarHBondContact O-N 2.97Å; Y567-S588 WeakPolarHBondContact OH-CA 3.3Å; Y567-S588 WeakPolarHBondContact OH-CB 3.26Å; Y567-L589 HydrophobicContact CD2-CB 4.33Å; Y567-L589 HydrophobicContact CD2-CD1 4.29Å; Y567-L589 HydrophobicContact CE2-CB 3.94Å; Y567-L589 HydrophobicContact CE2-CD1 4.49Å; Y567-R602 PolarHBondContact OH-NH2 3.45Å
568	L	86.9	Confident	88.9	Confident	70 Å²	70	81.7 Å²	81.7	37%	0.366	41%	0.407	S	S	.	.	H	α-helix	trans	-69.1	-36.1	176.4	-67.5	175.5	0	0	0	112.1	I295 N564 T565 L566 F571 S572 P584	I295-L568 HydrophobicContact CG2-CD2 4.16Å; I295-L568 HydrophobicContact CG2-CG 4.41Å; N564-L568 WeakPolarHBondContact O-CG 3.24Å; N564-L568 PolarHBondContact O-N 3.36Å; N564-L568 WeakPolarHBondContact OD1-CD1 3.31Å; T565-L568 PolarHBondContact O-N 3.19Å; L566-L568 PolarHBondContact O-N 2.78Å; L568-F571 PolarHBondContact O-N 3.19Å; L568-S572 WeakPolarHBondContact O-CB 3.31Å; L568-S572 PolarHBondContact O-N 3.11Å; L568-P584 HydrophobicContact CD2-CB 4.34Å; L568-P584 HydrophobicContact CD2-CG 4.08Å
569	E	89.4	Confident	88	Confident	108 Å²	108	78.6 Å²	78.6	51%	0.505	41%	0.406	S	S	.	.	H	α-helix	trans	-62.1	-51.2	173.6	-176.7	175.4	-169.2	0	0	111.6	T565 L566 F571 S572 L573	T565-E569 WeakPolarHBondContact O-CB 3.35Å; T565-E569 PolarHBondContact O-N 2.86Å; L566-E569 PolarHBondContact O-N 3.5Å; E569-F571 VanDerWaalsContact C-N 3.33Å; E569-F571 PolarHBondContact O-N 3.44Å; E569-S572 WeakPolarHBondContact O-CA 3.46Å; E569-S572 WeakPolarHBondContact O-CB 3.46Å; E569-S572 PolarHBondContact O-N 2.95Å; E569-S572 PolarHBondContact O-OG 2.85Å; E569-L573 PolarHBondContact O-N 3.2Å
570	V	88.6	Confident	87.3	Confident	56 Å²	56	79 Å²	79	34%	0.339	41%	0.406	S	S	.	.	H	α-helix	trans	-59.6	-45	177.2	175.5	0	0	0	0	110.3	L566 S572 L573 V574 L589	L566-V570 HydrophobicContact CD1-CG2 4.25Å; L566-V570 HydrophobicContact CG-CG2 4.47Å; L566-V570 WeakPolarHBondContact O-CG2 3.45Å; L566-V570 PolarHBondContact O-N 2.95Å; V570-S572 VanDerWaalsContact C-N 3.27Å; V570-S572 PolarHBondContact O-N 3.48Å; V570-L573 WeakPolarHBondContact O-CA 3.08Å; V570-L573 WeakPolarHBondContact O-CB 3.33Å; V570-L573 PolarHBondContact O-N 3Å; V570-V574 HydrophobicContact CG1-CG2 4.32Å; V570-V574 VanDerWaalsContact O-CG2 3.25Å; V570-V574 WeakPolarHBondContact O-CG2 3.13Å; V570-V574 PolarHBondContact O-N 3.12Å; V570-V574 VanDerWaalsContact O-N 3.11Å; V570-L589 HydrophobicContact CB-CD1 3.99Å; V570-L589 HydrophobicContact CG1-CD1 3.6Å
571	F	86.9	Confident	86.8	Confident	3 Å²	3	80.3 Å²	80.3	1%	0.013	42%	0.421	C	S	.	.	H	α-helix	trans	-57.6	-37.5	172.7	-101.7	-74.7	0	0	0	113.4	Y567 L568 E569 L573 P584 Y587 L589 L599	Y567-F571 AromaticContact CD1-CD2 3.93Å; Y567-F571 HydrophobicContact CD1-CD2 3.93Å; Y567-F571 HydrophobicContact CD1-CE2 4.26Å; Y567-F571 AromaticContact CE1-CD2 3.73Å; Y567-F571 HydrophobicContact CE1-CD2 3.73Å; Y567-F571 AromaticContact CE1-CE2 3.63Å; Y567-F571 HydrophobicContact CE1-CE2 3.63Å; Y567-F571 HydrophobicContact CE2-CD2 4.49Å; Y567-F571 HydrophobicContact CE2-CE2 4.03Å; Y567-F571 HydrophobicContact CG-CD2 4.41Å; Y567-F571 AromaticContact CZ-CE2 3.53Å; Y567-F571 WeakPolarHBondContact O-CB 3.05Å; Y567-F571 WeakPolarHBondContact O-CD2 3.3Å; Y567-F571 PolarHBondContact O-N 2.97Å; L568-F571 PolarHBondContact O-N 3.19Å; E569-F571 VanDerWaalsContact C-N 3.33Å; E569-F571 PolarHBondContact O-N 3.44Å; F571-L573 PolarHBondContact O-N 3.28Å; F571-P584 HydrophobicContact CB-CG 3.86Å; F571-P584 HydrophobicContact CD1-CB 4.37Å; F571-P584 HydrophobicContact CD1-CG 3.9Å; F571-P584 HydrophobicContact CD2-CB 4.27Å; F571-P584 HydrophobicContact CD2-CG 4.23Å; F571-P584 HydrophobicContact CE2-CB 4.49Å; F571-P584 HydrophobicContact CG-CB 4.22Å; F571-P584 HydrophobicContact CG-CG 3.73Å; F571-Y587 WeakPolarHBondContact CZ-O 3.46Å; F571-L589 HydrophobicContact CD2-CD1 3.67Å; F571-L589 HydrophobicContact CD2-CG 4.05Å; F571-L589 HydrophobicContact CE2-CB 4.3Å; F571-L589 HydrophobicContact CE2-CD1 3.73Å; F571-L589 HydrophobicContact CE2-CG 3.56Å; F571-L589 HydrophobicContact CG-CD1 4.48Å; F571-L589 HydrophobicContact CZ-CG 4.05Å; F571-L599 HydrophobicContact CE1-CD1 3.71Å; F571-L599 HydrophobicContact CZ-CD1 3.69Å
572	S	84.2	Confident	86.3	Confident	65 Å²	65	77.2 Å²	77.2	46%	0.455	40%	0.404	S	S	.	.	H	α-helix	trans	-66.6	-15.5	175.6	86.6	0	0	0	0	113.5	L568 E569 V570 R575	L568-S572 WeakPolarHBondContact O-CB 3.31Å; L568-S572 PolarHBondContact O-N 3.11Å; E569-S572 WeakPolarHBondContact O-CA 3.46Å; E569-S572 WeakPolarHBondContact O-CB 3.46Å; E569-S572 PolarHBondContact O-N 2.95Å; E569-S572 PolarHBondContact O-OG 2.85Å; V570-S572 VanDerWaalsContact C-N 3.27Å; V570-S572 PolarHBondContact O-N 3.48Å; S572-R575 VanDerWaalsContact O-CZ 3.23Å; S572-R575 PolarHBondContact O-NH1 3.21Å; S572-R575 PolarHBondContact O-NH2 3.26Å
573	L	87.2	Confident	85.6	Confident	122 Å²	122	74.1 Å²	74.1	64%	0.639	39%	0.394	S	S	*	.	H	α-helix	trans	-97.9	-33.8	177.4	-63.2	173.2	0	0	0	113.7	E569 V570 F571 R575	E569-L573 PolarHBondContact O-N 3.2Å; V570-L573 WeakPolarHBondContact O-CA 3.08Å; V570-L573 WeakPolarHBondContact O-CB 3.33Å; V570-L573 PolarHBondContact O-N 3Å; F571-L573 PolarHBondContact O-N 3.28Å; L573-R575 PolarHBondContact O-NH1 2.91Å
574	V	86.6	Confident	85.1	Confident	45 Å²	45	73.5 Å²	73.5	27%	0.273	39%	0.392	S	S	.	.			trans	-65.9	137.6	-178.7	-156.3	0	0	0	0	111.7	V570 Y582 L599	V570-V574 HydrophobicContact CG1-CG2 4.32Å; V570-V574 VanDerWaalsContact O-CG2 3.25Å; V570-V574 WeakPolarHBondContact O-CG2 3.13Å; V570-V574 PolarHBondContact O-N 3.12Å; V570-V574 VanDerWaalsContact O-N 3.11Å; V574-Y582 HydrophobicContact CB-CD2 3.96Å; V574-Y582 HydrophobicContact CG1-CD2 3.6Å; V574-Y582 HydrophobicContact CG1-CE2 3.89Å; V574-L599 HydrophobicContact CG1-CD2 4.48Å
575	R	85.8	Confident	84.7	Confident	112 Å²	112	75.1 Å²	75.1	42%	0.423	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-129	151	178	-62.1	-63.8	176.2	-89.1	-4.2	112.2	S572 L573 G579 K580 Y582	S572-R575 VanDerWaalsContact O-CZ 3.23Å; S572-R575 PolarHBondContact O-NH1 3.21Å; S572-R575 PolarHBondContact O-NH2 3.26Å; L573-R575 PolarHBondContact O-NH1 2.91Å; R575-G579 WeakPolarHBondContact CD-O 3.41Å; R575-K580 CarbonylContact C-O 3.48Å; R575-K580 WeakPolarHBondContact CA-O 3.25Å; R575-K580 VanDerWaalsContact CD-C 3.41Å; R575-K580 WeakPolarHBondContact CD-O 3.42Å; R575-Y582 VanDerWaalsContact O-CE2 3.25Å; R575-Y582 WeakPolarHBondContact O-CE2 3.46Å
576	D	81.9	Confident	84.2	Confident	34 Å²	34	75.5 Å²	75.5	18%	0.182	40%	0.403	C	S	.	.			trans	-73.8	170.7	164.9	67.2	20.1	0	0	0	111.8	E578 G579 K580 Y582	D576-E578 PolarHBondContact O-N 3.36Å; D576-E578 VanDerWaalsContact O-N 3.17Å; D576-E578 VanDerWaalsContact OD1-C 3.26Å; D576-E578 WeakPolarHBondContact OD1-CA 3.43Å; D576-E578 PolarHBondContact OD1-N 2.89Å; D576-E578 VanDerWaalsContact OD1-N 3.13Å; D576-G579 PolarHBondContact O-N 2.96Å; D576-G579 PolarHBondContact OD1-N 3.38Å; D576-K580 PolarHBondContact N-O 3.44Å; D576-K580 WeakPolarHBondContact OD1-CB 3.48Å; D576-K580 PolarHBondContact OD1-N 3.39Å; D576-K580 IonicContact OD1-NZ 3.12Å; D576-K580 WeakPolarHBondContact OD2-CB 3.45Å; D576-K580 IonicContact OD2-NZ 2.6Å; D576-K580 PolarHBondContact OD2-NZ 3.05Å; D576-Y582 HydrophobicContact CB-CE1 4.33Å; D576-Y582 HydrophobicContact CB-CE2 4.29Å
577	E	82	Confident	83.8	Confident	193 Å²	193	74.6 Å²	74.6	90%	0.902	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.7	178.9	-62.3	-68.3	141.3	0	0	112.6
578	E	79.9	Confident	83.8	Confident	142 Å²	142	75.1 Å²	75.1	66%	0.664	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	8.1	173.2	-54.9	88.2	-156.7	0	0	113.7	D576 K580	D576-E578 PolarHBondContact O-N 3.36Å; D576-E578 VanDerWaalsContact O-N 3.17Å; D576-E578 VanDerWaalsContact OD1-C 3.26Å; D576-E578 WeakPolarHBondContact OD1-CA 3.43Å; D576-E578 PolarHBondContact OD1-N 2.89Å; D576-E578 VanDerWaalsContact OD1-N 3.13Å; E578-K580 IonicContact OE2-NZ 2.7Å; E578-K580 PolarHBondContact OE2-NZ 3.35Å
579	G	79	Confident	83.8	Confident	50 Å²	50	72.7 Å²	72.7	52%	0.515	39%	0.386	S	S	.	.	S	Bend	trans	80.7	16.7	173.2	0	0	0	0	0	116	R575 D576	R575-G579 WeakPolarHBondContact CD-O 3.41Å; D576-G579 PolarHBondContact O-N 2.96Å; D576-G579 PolarHBondContact OD1-N 3.38Å
580	K	81.3	Confident	83.6	Confident	102 Å²	102	71.8 Å²	71.8	44%	0.443	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-94.9	148.3	179.7	-44.6	-180	-133.1	81.1	0	111.7	R575 D576 E578	R575-K580 CarbonylContact C-O 3.48Å; R575-K580 WeakPolarHBondContact CA-O 3.25Å; R575-K580 VanDerWaalsContact CD-C 3.41Å; R575-K580 WeakPolarHBondContact CD-O 3.42Å; D576-K580 PolarHBondContact N-O 3.44Å; D576-K580 WeakPolarHBondContact OD1-CB 3.48Å; D576-K580 PolarHBondContact OD1-N 3.39Å; D576-K580 IonicContact OD1-NZ 3.12Å; D576-K580 WeakPolarHBondContact OD2-CB 3.45Å; D576-K580 IonicContact OD2-NZ 2.6Å; D576-K580 PolarHBondContact OD2-NZ 3.05Å; E578-K580 IonicContact OE2-NZ 2.7Å; E578-K580 PolarHBondContact OE2-NZ 3.35Å
581	P	82.6	Confident	83.4	Confident	90 Å²	90	73.6 Å²	73.6	58%	0.584	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-71.3	138.2	178.3	29.2	-35.1	0	0	0	113
582	Y	82.9	Confident	83.4	Confident	63 Å²	63	75.9 Å²	75.9	25%	0.247	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-73.3	142.5	169.5	-74.2	-74.6	0	0	0	111.7	V574 R575 D576 Y587 L599	V574-Y582 HydrophobicContact CB-CD2 3.96Å; V574-Y582 HydrophobicContact CG1-CD2 3.6Å; V574-Y582 HydrophobicContact CG1-CE2 3.89Å; R575-Y582 VanDerWaalsContact O-CE2 3.25Å; R575-Y582 WeakPolarHBondContact O-CE2 3.46Å; D576-Y582 HydrophobicContact CB-CE1 4.33Å; D576-Y582 HydrophobicContact CB-CE2 4.29Å; Y582-Y587 HydrophobicContact CD1-CD1 4.37Å; Y582-Y587 AromaticContact CD1-CD2 3.88Å; Y582-Y587 HydrophobicContact CD1-CD2 3.88Å; Y582-Y587 HydrophobicContact CD1-CE1 4.18Å; Y582-Y587 AromaticContact CD1-CE2 3.72Å; Y582-Y587 HydrophobicContact CD1-CE2 3.72Å; Y582-Y587 HydrophobicContact CD1-CG 4.23Å; Y582-Y587 AromaticContact CD1-CZ 3.87Å; Y582-Y587 HydrophobicContact CE1-CE1 4.12Å; Y582-Y587 HydrophobicContact CE1-CE2 4.25Å; Y582-Y587 AromaticContact CE1-CZ 3.93Å; Y582-L599 HydrophobicContact CD1-CD2 3.83Å; Y582-L599 HydrophobicContact CD2-CD2 3.59Å; Y582-L599 HydrophobicContact CE1-CD2 3.93Å; Y582-L599 HydrophobicContact CE2-CD2 3.66Å; Y582-L599 HydrophobicContact CG-CD2 3.66Å
583	S	81	Confident	83.5	Confident	42 Å²	42	78.3 Å²	78.3	29%	0.294	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-89	125.5	-179.8	-179.7	0	0	0	0	112.4	S585 E586 Y587	S583-S585 PolarHBondContact O-N 3.47Å; S583-S585 PolarHBondContact OG-N 2.89Å; S583-E586 PolarHBondContact O-N 2.68Å; S583-Y587 PolarHBondContact O-N 3.44Å
584	P	80.1	Confident	83.4	Confident	30 Å²	30	78.8 Å²	78.8	20%	0.195	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.8	172.2	-21.9	30.9	0	0	0	114.6	L568 F571 Y587 R602	L568-P584 HydrophobicContact CD2-CB 4.34Å; L568-P584 HydrophobicContact CD2-CG 4.08Å; F571-P584 HydrophobicContact CB-CG 3.86Å; F571-P584 HydrophobicContact CD1-CB 4.37Å; F571-P584 HydrophobicContact CD1-CG 3.9Å; F571-P584 HydrophobicContact CD2-CB 4.27Å; F571-P584 HydrophobicContact CD2-CG 4.23Å; F571-P584 HydrophobicContact CE2-CB 4.49Å; F571-P584 HydrophobicContact CG-CB 4.22Å; F571-P584 HydrophobicContact CG-CG 3.73Å; P584-Y587 CarbonylContact C-O 3.57Å; P584-R602 WeakPolarHBondContact O-CD 3.36Å; P584-R602 PolarHBondContact O-NE 3.35Å
585	S	79.5	Confident	83.3	Confident	74 Å²	74	78.5 Å²	78.5	52%	0.517	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-16.8	177.1	-55.5	0	0	0	0	113.4	S583	S583-S585 PolarHBondContact O-N 3.47Å; S583-S585 PolarHBondContact OG-N 2.89Å
586	E	82.7	Confident	83.3	Confident	87 Å²	87	76.5 Å²	76.5	41%	0.407	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-16.8	-175	-54.9	-163.1	135.5	0	0	112.8	S583 P601 R602 K604	S583-E586 PolarHBondContact O-N 2.68Å; E586-P601 CarbonylContact O-C 3.54Å; E586-R602 PolarHBondContact O-N 2.97Å; E586-K604 IonicContact OE1-NZ 2.74Å; E586-K604 PolarHBondContact OE1-NZ 2.99Å
587	Y	83.8	Confident	83.5	Confident	72 Å²	72	78.7 Å²	78.7	28%	0.282	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.4	175.2	-60.7	-100.3	0	0	0	110	F571 Y582 S583 P584 L599 V600 P601 R602	F571-Y587 WeakPolarHBondContact CZ-O 3.46Å; Y582-Y587 HydrophobicContact CD1-CD1 4.37Å; Y582-Y587 AromaticContact CD1-CD2 3.88Å; Y582-Y587 HydrophobicContact CD1-CD2 3.88Å; Y582-Y587 HydrophobicContact CD1-CE1 4.18Å; Y582-Y587 AromaticContact CD1-CE2 3.72Å; Y582-Y587 HydrophobicContact CD1-CE2 3.72Å; Y582-Y587 HydrophobicContact CD1-CG 4.23Å; Y582-Y587 AromaticContact CD1-CZ 3.87Å; Y582-Y587 HydrophobicContact CE1-CE1 4.12Å; Y582-Y587 HydrophobicContact CE1-CE2 4.25Å; Y582-Y587 AromaticContact CE1-CZ 3.93Å; S583-Y587 PolarHBondContact O-N 3.44Å; P584-Y587 CarbonylContact C-O 3.57Å; Y587-L599 HydrophobicContact CD1-CD2 4.08Å; Y587-L599 HydrophobicContact CD1-CG 4Å; Y587-L599 HydrophobicContact CG-CD1 4.44Å; Y587-L599 HydrophobicContact CG-CD2 4.41Å; Y587-L599 HydrophobicContact CG-CG 4.32Å; Y587-V600 CarbonylContact C-O 3.59Å; Y587-V600 VanDerWaalsContact CA-O 3.32Å; Y587-V600 WeakPolarHBondContact CA-O 3.46Å; Y587-P601 HydrophobicContact CD1-CB 4.33Å; Y587-P601 HydrophobicContact CD1-CG 4.11Å; Y587-P601 HydrophobicContact CE1-CB 4.34Å; Y587-P601 HydrophobicContact CE1-CG 3.93Å; Y587-R602 WeakPolarHBondContact O-CD 3.49Å; Y587-R602 PolarHBondContact O-NE 3.39Å; Y587-R602 VanDerWaalsContact O-NE 3.07Å
588	S	88.3	Confident	83.7	Confident	17 Å²	17	74.8 Å²	74.8	12%	0.119	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.4	169.9	52.9	0	0	0	0	110.2	Y567 V600	Y567-S588 WeakPolarHBondContact OH-CA 3.3Å; Y567-S588 WeakPolarHBondContact OH-CB 3.26Å; S588-V600 PolarHBondContact N-O 3.4Å; S588-V600 PolarHBondContact O-N 3.32Å
589	L	86.9	Confident	84.1	Confident	19 Å²	19	70.6 Å²	70.6	10%	0.099	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	134.1	165.5	-63.9	162.8	0	0	0	108.2	Y567 V570 F571 V597 F598 L599	Y567-L589 HydrophobicContact CD2-CB 4.33Å; Y567-L589 HydrophobicContact CD2-CD1 4.29Å; Y567-L589 HydrophobicContact CE2-CB 3.94Å; Y567-L589 HydrophobicContact CE2-CD1 4.49Å; V570-L589 HydrophobicContact CB-CD1 3.99Å; V570-L589 HydrophobicContact CG1-CD1 3.6Å; F571-L589 HydrophobicContact CD2-CD1 3.67Å; F571-L589 HydrophobicContact CD2-CG 4.05Å; F571-L589 HydrophobicContact CE2-CB 4.3Å; F571-L589 HydrophobicContact CE2-CD1 3.73Å; F571-L589 HydrophobicContact CE2-CG 3.56Å; F571-L589 HydrophobicContact CG-CD1 4.48Å; F571-L589 HydrophobicContact CZ-CG 4.05Å; L589-V597 HydrophobicContact CB-CG1 3.99Å; L589-V597 HydrophobicContact CD2-CG1 3.81Å; L589-V597 HydrophobicContact CG-CG1 4.41Å; L589-F598 CarbonylContact C-O 3.6Å; L589-F598 WeakPolarHBondContact CA-O 3.14Å; L589-L599 HydrophobicContact CD2-CD1 3.89Å; L589-L599 HydrophobicContact CG-CD1 4.37Å
590	Q	85.1	Confident	84.4	Confident	90 Å²	90	70.4 Å²	70.4	42%	0.421	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.2	173.6	-60.2	-173.4	15.4	0	0	108.8	V597 F598 V600	Q590-V597 CarbonylContact O-C 3.6Å; Q590-V597 WeakPolarHBondContact O-CA 3.34Å; Q590-F598 PolarHBondContact N-O 3.44Å; Q590-F598 PolarHBondContact O-N 3.03Å; Q590-V600 HydrophobicContact CB-CG2 4.4Å; Q590-V600 HydrophobicContact CG-CB 4.37Å; Q590-V600 HydrophobicContact CG-CG2 3.98Å
591	Q	84.1	Confident	84.6	Confident	94 Å²	94	69.5 Å²	69.5	44%	0.439	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.9	179.5	-168.4	174.9	26.6	0	0	110.1	G595 T596 V597	Q591-G595 PolarHBondContact NE2-O 3.38Å; Q591-T596 WeakPolarHBondContact CA-O 3.4Å; Q591-V597 HydrophobicContact CB-CG2 4.4Å; Q591-V597 HydrophobicContact CG-CG2 4.13Å
592	T	87.6	Confident	84.5	Confident	50 Å²	50	68.2 Å²	68.2	31%	0.307	38%	0.375	S	S	.	.			trans	-84.2	167.5	171.5	62.2	0	0	0	0	111.5	D594 G595 T596 F598	T592-D594 PolarHBondContact O-N 3.19Å; T592-D594 VanDerWaalsContact O-N 3.1Å; T592-G595 PolarHBondContact O-N 3.38Å; T592-T596 PolarHBondContact N-O 3.46Å; T592-T596 PolarHBondContact OG1-O 3.38Å; T592-F598 HydrophobicContact CG2-CD2 4.02Å; T592-F598 HydrophobicContact CG2-CE2 3.67Å
593	T	85.5	Confident	84	Confident	116 Å²	116	72.9 Å²	72.9	71%	0.712	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-32.6	171	41.4	0	0	0	0	113.1	G595	T593-G595 PolarHBondContact O-N 2.89Å
594	D	85.9	Confident	83.1	Confident	133 Å²	133	76.3 Å²	76.3	71%	0.711	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	13	-173.3	-31.1	-32.3	0	0	0	111.5	T592 T596	T592-D594 PolarHBondContact O-N 3.19Å; T592-D594 VanDerWaalsContact O-N 3.1Å; D594-T596 PolarHBondContact O-N 3.06Å
595	G	83.3	Confident	81.9	Confident	38 Å²	38	84.7 Å²	84.7	39%	0.392	45%	0.446	S	S	.	.	S	Bend	trans	77.8	-9.8	179.2	0	0	0	0	0	115.5	Q591 T592 T593	Q591-G595 PolarHBondContact NE2-O 3.38Å; T592-G595 PolarHBondContact O-N 3.38Å; T593-G595 PolarHBondContact O-N 2.89Å
596	T	86.1	Confident	80.2	Confident	71 Å²	71	87.3 Å²	87.3	44%	0.436	45%	0.451	S	S	.	.			trans	-69.2	135.2	-177	-57.4	0	0	0	0	111.1	Q591 T592 D594 F598	Q591-T596 WeakPolarHBondContact CA-O 3.4Å; T592-T596 PolarHBondContact N-O 3.46Å; T592-T596 PolarHBondContact OG1-O 3.38Å; D594-T596 PolarHBondContact O-N 3.06Å; T596-F598 HydrophobicContact CG2-CD2 4.23Å; T596-F598 HydrophobicContact CG2-CE1 4.4Å; T596-F598 HydrophobicContact CG2-CE2 3.51Å; T596-F598 HydrophobicContact CG2-CZ 3.61Å
597	V	85.6	Confident	78.3	Confident	79 Å²	79	90.9 Å²	90.9	48%	0.479	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.4	-177.6	-176.2	0	0	0	0	110.9	L589 Q590 Q591	L589-V597 HydrophobicContact CB-CG1 3.99Å; L589-V597 HydrophobicContact CD2-CG1 3.81Å; L589-V597 HydrophobicContact CG-CG1 4.41Å; Q590-V597 CarbonylContact O-C 3.6Å; Q590-V597 WeakPolarHBondContact O-CA 3.34Å; Q591-V597 HydrophobicContact CB-CG2 4.4Å; Q591-V597 HydrophobicContact CG-CG2 4.13Å
598	F	86.1	Confident	76.3	Confident	111 Å²	111	96.4 Å²	96.4	49%	0.487	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.3	179.3	-64.7	-88.1	0	0	0	111.2	L589 Q590 T592 T596 V600	L589-F598 CarbonylContact C-O 3.6Å; L589-F598 WeakPolarHBondContact CA-O 3.14Å; Q590-F598 PolarHBondContact N-O 3.44Å; Q590-F598 PolarHBondContact O-N 3.03Å; T592-F598 HydrophobicContact CG2-CD2 4.02Å; T592-F598 HydrophobicContact CG2-CE2 3.67Å; T596-F598 HydrophobicContact CG2-CD2 4.23Å; T596-F598 HydrophobicContact CG2-CE1 4.4Å; T596-F598 HydrophobicContact CG2-CE2 3.51Å; T596-F598 HydrophobicContact CG2-CZ 3.61Å; F598-V600 HydrophobicContact CB-CG2 4.33Å
599	L	87.9	Confident	74.1	Confident	54 Å²	54	104 Å²	104	28%	0.283	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.5	172.1	-172.5	72.9	0	0	0	109.7	F571 V574 Y582 Y587 L589	F571-L599 HydrophobicContact CE1-CD1 3.71Å; F571-L599 HydrophobicContact CZ-CD1 3.69Å; V574-L599 HydrophobicContact CG1-CD2 4.48Å; Y582-L599 HydrophobicContact CD1-CD2 3.83Å; Y582-L599 HydrophobicContact CD2-CD2 3.59Å; Y582-L599 HydrophobicContact CE1-CD2 3.93Å; Y582-L599 HydrophobicContact CE2-CD2 3.66Å; Y582-L599 HydrophobicContact CG-CD2 3.66Å; Y587-L599 HydrophobicContact CD1-CD2 4.08Å; Y587-L599 HydrophobicContact CD1-CG 4Å; Y587-L599 HydrophobicContact CG-CD1 4.44Å; Y587-L599 HydrophobicContact CG-CD2 4.41Å; Y587-L599 HydrophobicContact CG-CG 4.32Å; L589-L599 HydrophobicContact CD2-CD1 3.89Å; L589-L599 HydrophobicContact CG-CD1 4.37Å
600	V	87.1	Confident	71.9	Confident	47 Å²	47	110.8 Å²	110.8	29%	0.285	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.5	131.1	-173.5	-175	0	0	0	0	110.5	Y587 S588 Q590 F598 R602	Y587-V600 CarbonylContact C-O 3.59Å; Y587-V600 VanDerWaalsContact CA-O 3.32Å; Y587-V600 WeakPolarHBondContact CA-O 3.46Å; S588-V600 PolarHBondContact N-O 3.4Å; S588-V600 PolarHBondContact O-N 3.32Å; Q590-V600 HydrophobicContact CB-CG2 4.4Å; Q590-V600 HydrophobicContact CG-CB 4.37Å; Q590-V600 HydrophobicContact CG-CG2 3.98Å; F598-V600 HydrophobicContact CB-CG2 4.33Å; V600-R602 PolarHBondContact O-N 2.99Å
601	P	84.6	Confident	69.8	Low	82 Å²	82	113.3 Å²	113.3	53%	0.532	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-61.4	131.1	176.5	-23.5	33.6	0	0	0	113	E586 Y587 I603	E586-P601 CarbonylContact O-C 3.54Å; Y587-P601 HydrophobicContact CD1-CB 4.33Å; Y587-P601 HydrophobicContact CD1-CG 4.11Å; Y587-P601 HydrophobicContact CE1-CB 4.34Å; Y587-P601 HydrophobicContact CE1-CG 3.93Å; P601-I603 PolarHBondContact O-N 2.77Å
602	R	80.3	Confident	67.7	Low	63 Å²	63	114.8 Å²	114.8	24%	0.238	59%	0.585	C	S	.	*			trans	-74.8	110.6	171.7	-73.3	178.4	-179.3	-96	6.1	109.1	Y567 P584 E586 Y587 V600 K604	Y567-R602 PolarHBondContact OH-NH2 3.45Å; P584-R602 WeakPolarHBondContact O-CD 3.36Å; P584-R602 PolarHBondContact O-NE 3.35Å; E586-R602 PolarHBondContact O-N 2.97Å; Y587-R602 WeakPolarHBondContact O-CD 3.49Å; Y587-R602 PolarHBondContact O-NE 3.39Å; Y587-R602 VanDerWaalsContact O-NE 3.07Å; V600-R602 PolarHBondContact O-N 2.99Å; R602-K604 PolarHBondContact O-N 2.87Å
603	I	73.7	Confident	65.3	Low	161 Å²	161	123.1 Å²	123.1	83%	0.826	63%	0.628	S	S	*	*			trans	-66	99.2	177.6	-51.9	174.3	0	0	0	109.5	P601 K605	P601-I603 PolarHBondContact O-N 2.77Å; I603-K605 PolarHBondContact O-N 3.15Å
604	K	61.8	Low	64.3	Low	115 Å²	115	123.5 Å²	123.5	50%	0.5	62%	0.624	S	S	.	*			trans	-61.6	110.1	171.9	-67.9	179.5	-175.2	172.7	0	108.9	E586 R602 M606	E586-K604 IonicContact OE1-NZ 2.74Å; E586-K604 PolarHBondContact OE1-NZ 2.99Å; R602-K604 PolarHBondContact O-N 2.87Å; K604-M606 VanDerWaalsContact C-N 3.28Å; K604-M606 HydrophobicContact CB-CE 4.42Å; K604-M606 PolarHBondContact O-N 3.16Å
605	K	53.2	Low	63.1	Low	205 Å²	205	123 Å²	123	89%	0.891	62%	0.619	S	S	*	*			trans	-64	89	171.1	-73.3	-179.8	178.4	175.8	0	109	I603 L607	I603-K605 PolarHBondContact O-N 3.15Å; K605-L607 PolarHBondContact O-N 3.03Å
606	M	45.7	Very low	62	Low	129 Å²	129	127.7 Å²	127.7	64%	0.635	63%	0.632	S	S	*	*			trans	-63.4	102	173.3	-70.4	-60.2	-179.3	0	0	108.4	K604 F608	K604-M606 VanDerWaalsContact C-N 3.28Å; K604-M606 HydrophobicContact CB-CE 4.42Å; K604-M606 PolarHBondContact O-N 3.16Å; M606-F608 VanDerWaalsContact C-N 3.26Å; M606-F608 HydrophobicContact CB-CD2 4.3Å; M606-F608 HydrophobicContact CB-CE2 3.98Å; M606-F608 HydrophobicContact CB-CZ 4.44Å; M606-F608 VanDerWaalsContact O-CD2 3.23Å; M606-F608 WeakPolarHBondContact O-CD2 3.31Å; M606-F608 PolarHBondContact O-N 2.61Å
607	L	42.3	Very low	60.6	Low	162 Å²	162	131.1 Å²	131.1	85%	0.848	64%	0.643	S	S	*	*			trans	-74.3	86.6	178.6	-161.4	153.7	0	0	0	107.3	K605 K609	K605-L607 PolarHBondContact O-N 3.03Å; L607-K609 VanDerWaalsContact C-N 3.26Å; L607-K609 PolarHBondContact O-N 2.98Å
608	F	41.3	Very low	59	Low	189 Å²	189	134.3 Å²	134.3	83%	0.829	65%	0.654	S	S	*	*			trans	-61.9	87.5	179.4	-78.6	-81.6	0	0	0	110	M606 K610	M606-F608 VanDerWaalsContact C-N 3.26Å; M606-F608 HydrophobicContact CB-CD2 4.3Å; M606-F608 HydrophobicContact CB-CE2 3.98Å; M606-F608 HydrophobicContact CB-CZ 4.44Å; M606-F608 VanDerWaalsContact O-CD2 3.23Å; M606-F608 WeakPolarHBondContact O-CD2 3.31Å; M606-F608 PolarHBondContact O-N 2.61Å; F608-K610 VanDerWaalsContact C-N 3.33Å; F608-K610 PolarHBondContact O-N 3.01Å
609	K	41.4	Very low	57.2	Low	175 Å²	175	135.9 Å²	135.9	76%	0.761	67%	0.665	S	S	*	*			trans	-65.2	96.3	169.5	-172.6	177.3	-177.4	179.9	0	107.9	L607 N611	L607-K609 VanDerWaalsContact C-N 3.26Å; L607-K609 PolarHBondContact O-N 2.98Å; K609-N611 PolarHBondContact O-N 3.46Å; K609-N611 VanDerWaalsContact O-N 3.09Å
610	K	41.7	Very low	55	Low	163 Å²	163	141.7 Å²	141.7	71%	0.709	69%	0.692	S	S	*	*			trans	-53.8	113.5	168.2	-116.5	177.6	154.6	-116.9	0	108.1	F608 D612	F608-K610 VanDerWaalsContact C-N 3.33Å; F608-K610 PolarHBondContact O-N 3.01Å; K610-D612 IonicContact NZ-OD1 3.57Å; K610-D612 PolarHBondContact NZ-OD1 3.25Å; K610-D612 PolarHBondContact O-N 2.94Å
611	N	39.8	Very low	52.6	Low	143 Å²	143	149 Å²	149	77%	0.765	72%	0.724	S	S	*	*			trans	-82.1	99.9	154.2	-74.4	-6.9	0	0	0	105.4	K609	K609-N611 PolarHBondContact O-N 3.46Å; K609-N611 VanDerWaalsContact O-N 3.09Å
612	D	41.8	Very low	49.9	Very low	125 Å²	125	154.6 Å²	154.6	67%	0.668	74%	0.739	S	S	*	*			trans	-72	138.3	166	-66.9	-44.8	0	0	0	108.8	K610	K610-D612 IonicContact NZ-OD1 3.57Å; K610-D612 PolarHBondContact NZ-OD1 3.25Å; K610-D612 PolarHBondContact O-N 2.94Å
613	N	35.8	Very low	47.1	Very low	225 Å²	225	162.9 Å²	162.9	100%	1.203	79%	0.785	S	S	*	*			trans	-153.8	0	178.4	-176.3	119.5	0	0	0	108.6

Retrieved 613 of 613 residues in 578.8 ms (Link to these results)

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