A0AA82MUQ3_SCHMA Loading...

DNAj-related AlphaSync

AlphaFold DB , UniProt , Accession A0AA82MUQ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 582 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	67.1	Low	87.3	Confident	105 Å²	105	54.1 Å²	54.1	52%	0.517	31%	0.305	S	S	.	.				0	135.8	0	-176.8	-178.4	179.3	0	0	108.4	Y4 I70 T98	M1-Y4 HydrophobicContact CE-CD1 4.47Å; M1-Y4 HydrophobicContact CE-CE1 3.63Å; M1-Y4 HydrophobicContact CE-CE2 4.09Å; M1-Y4 VanDerWaalsContact CE-OH 3.28Å; M1-Y4 WeakPolarHBondContact CE-OH 3.27Å; M1-I70 HydrophobicContact CE-CG2 3.75Å; M1-I70 HydrophobicContact SD-CG2 3.21Å; M1-I70 WeakPolarHBondContact SD-CG2 3.47Å; M1-T98 HydrophobicContact CE-CG2 3.26Å; M1-T98 HydrophobicContact SD-CG2 3.46Å; M1-T98 WeakPolarHBondContact SD-CG2 3.45Å
2	K	76.9	Confident	87.4	Confident	113 Å²	113	58.9 Å²	58.9	49%	0.491	32%	0.323	S	S	.	.			trans	-86	151.2	174.2	-67.7	168.7	-178.2	165.9	0	109.9	L7	K2-L7 HydrophobicContact CB-CD1 4.01Å; K2-L7 HydrophobicContact CB-CD2 3.92Å; K2-L7 HydrophobicContact CB-CG 3.74Å; K2-L7 HydrophobicContact CD-CD2 3.59Å; K2-L7 HydrophobicContact CD-CG 4.35Å; K2-L7 HydrophobicContact CG-CD2 4.43Å
3	C	86.2	Confident	87.5	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.007	36%	0.361	C	S	.	.			trans	-68.1	134.1	174.1	169.4	0	0	0	0	110.9	Y5 E6 L7 Y63 R67 L71	C3-Y5 VanDerWaalsContact C-N 3.26Å; C3-Y5 PolarHBondContact O-N 2.8Å; C3-Y5 PolarHBondContact SG-N 3.21Å; C3-E6 HydrophobicContact CB-CB 4.04Å; C3-E6 HydrophobicContact CB-CG 3.91Å; C3-E6 WeakPolarHBondContact O-CA 3.34Å; C3-E6 WeakPolarHBondContact O-CB 3.21Å; C3-E6 PolarHBondContact O-N 3.45Å; C3-L7 PolarHBondContact O-N 2.95Å; C3-Y63 WeakPolarHBondContact CA-OH 3.42Å; C3-Y63 PolarHBondContact SG-OH 2.93Å; C3-Y63 VanDerWaalsContact SG-OH 3.4Å; C3-R67 VanDerWaalsContact CB-NH2 3.34Å; C3-R67 PolarHBondContact SG-NE 3.15Å; C3-R67 PolarHBondContact SG-NH2 3.45Å; C3-L71 HydrophobicContact CB-CD1 3.97Å; C3-L71 HydrophobicContact CB-CD2 4.05Å
4	Y	90.3	Very high	87.7	Confident	9 Å²	9	62.4 Å²	62.4	4%	0.035	34%	0.342	C	S	.	.	H	α-helix	trans	-56.1	-36.8	176.7	-62.7	-38.1	0	0	0	113.8	M1 L7 L8 E49 A50 V53 Y63	M1-Y4 HydrophobicContact CE-CD1 4.47Å; M1-Y4 HydrophobicContact CE-CE1 3.63Å; M1-Y4 HydrophobicContact CE-CE2 4.09Å; M1-Y4 VanDerWaalsContact CE-OH 3.28Å; M1-Y4 WeakPolarHBondContact CE-OH 3.27Å; Y4-L7 HydrophobicContact CD1-CD1 4.09Å; Y4-L7 PolarHBondContact O-N 3.24Å; Y4-L8 PolarHBondContact O-N 3.3Å; Y4-E49 HydrophobicContact CE1-CG 4.2Å; Y4-E49 PolarHBondContact OH-OE1 2.96Å; Y4-A50 HydrophobicContact CD1-CB 3.52Å; Y4-A50 HydrophobicContact CE1-CB 4.37Å; Y4-A50 HydrophobicContact CG-CB 3.89Å; Y4-V53 HydrophobicContact CD2-CB 4.25Å; Y4-V53 HydrophobicContact CD2-CG1 4.08Å; Y4-V53 HydrophobicContact CE2-CB 3.98Å; Y4-V53 HydrophobicContact CE2-CG1 3.84Å; Y4-V53 HydrophobicContact CE2-CG2 4.02Å; Y4-Y63 HydrophobicContact CD2-CD1 4.01Å; Y4-Y63 AromaticContact CD2-CD2 3.45Å; Y4-Y63 HydrophobicContact CD2-CD2 3.45Å; Y4-Y63 VanDerWaalsContact CD2-CD2 3.45Å; Y4-Y63 AromaticContact CD2-CE1 3.77Å; Y4-Y63 HydrophobicContact CD2-CE1 3.77Å; Y4-Y63 AromaticContact CD2-CE2 3.18Å; Y4-Y63 HydrophobicContact CD2-CE2 3.18Å; Y4-Y63 AromaticContact CD2-CG 3.85Å; Y4-Y63 HydrophobicContact CD2-CG 3.85Å; Y4-Y63 AromaticContact CD2-CZ 3.35Å; Y4-Y63 AromaticContact CE2-CD2 3.46Å; Y4-Y63 HydrophobicContact CE2-CD2 3.46Å; Y4-Y63 VanDerWaalsContact CE2-CD2 3.46Å; Y4-Y63 AromaticContact CE2-CE2 3.38Å; Y4-Y63 HydrophobicContact CE2-CE2 3.38Å; Y4-Y63 HydrophobicContact CE2-CG 4.18Å; Y4-Y63 HydrophobicContact CG-CE1 4.32Å; Y4-Y63 HydrophobicContact CG-CE2 4.04Å; Y4-Y63 AromaticContact CG-CZ 3.86Å; Y4-Y63 PolarHBondContact N-OH 3.34Å
5	Y	92.4	Very high	88	Confident	6 Å²	6	67.4 Å²	67.4	2%	0.024	36%	0.361	C	S	.	.	H	α-helix	trans	-65.8	-36	173.9	-64.9	-69.8	0	0	0	112.9	C3 G9 V10 Q12 V14 L54 R60 Y63 D64	C3-Y5 VanDerWaalsContact C-N 3.26Å; C3-Y5 PolarHBondContact O-N 2.8Å; C3-Y5 PolarHBondContact SG-N 3.21Å; Y5-G9 PolarHBondContact O-N 2.96Å; Y5-V10 WeakPolarHBondContact CB-O 3.42Å; Y5-V10 HydrophobicContact CD1-CG2 3.98Å; Y5-V10 PolarHBondContact O-N 3.17Å; Y5-Q12 HydrophobicContact CD2-CG 3.97Å; Y5-Q12 HydrophobicContact CE2-CB 4.45Å; Y5-Q12 HydrophobicContact CE2-CG 4.16Å; Y5-Q12 HydrophobicContact CG-CG 4.25Å; Y5-V14 HydrophobicContact CE1-CG1 4.31Å; Y5-L54 HydrophobicContact CD1-CD1 4.03Å; Y5-L54 HydrophobicContact CE1-CD1 3.99Å; Y5-L54 HydrophobicContact CE1-CD2 3.78Å; Y5-L54 HydrophobicContact CE2-CD2 4.07Å; Y5-R60 PolarHBondContact OH-NE 3.27Å; Y5-R60 VanDerWaalsContact OH-NE 3.14Å; Y5-Y63 AromaticContact CD2-CE1 3.95Å; Y5-Y63 HydrophobicContact CD2-CE1 3.95Å; Y5-Y63 HydrophobicContact CE2-CD1 4.06Å; Y5-Y63 AromaticContact CE2-CE1 3.8Å; Y5-Y63 HydrophobicContact CE2-CE1 3.8Å; Y5-D64 WeakPolarHBondContact CE2-OD1 3.41Å; Y5-D64 VanDerWaalsContact CZ-OD1 3.25Å; Y5-D64 VanDerWaalsContact OH-CG 3.25Å; Y5-D64 PolarHBondContact OH-OD1 2.85Å; Y5-D64 PolarHBondContact OH-OD2 2.77Å
6	E	91.6	Very high	88.2	Confident	129 Å²	129	68.4 Å²	68.4	60%	0.603	36%	0.363	S	S	*	.	H	α-helix	trans	-75.5	-38.6	178.4	-70.9	163.1	-153.9	0	0	110.8	C3 L8 G9 R67	C3-E6 HydrophobicContact CB-CB 4.04Å; C3-E6 HydrophobicContact CB-CG 3.91Å; C3-E6 WeakPolarHBondContact O-CA 3.34Å; C3-E6 WeakPolarHBondContact O-CB 3.21Å; C3-E6 PolarHBondContact O-N 3.45Å; E6-L8 VanDerWaalsContact C-N 3.31Å; E6-L8 PolarHBondContact O-N 3.49Å; E6-G9 PolarHBondContact O-N 3.41Å; E6-R67 IonicContact OE1-NH2 3.49Å; E6-R67 PolarHBondContact OE1-NH2 2.95Å; E6-R67 VanDerWaalsContact OE1-NH2 3.12Å
7	L	89.8	Confident	88.4	Confident	28 Å²	28	69.5 Å²	69.5	15%	0.147	37%	0.373	C	S	.	.	H	α-helix	trans	-58.7	-42.2	173.1	-78.5	169.7	0	0	0	112	K2 C3 Y4 L26 E46 A50	K2-L7 HydrophobicContact CB-CD1 4.01Å; K2-L7 HydrophobicContact CB-CD2 3.92Å; K2-L7 HydrophobicContact CB-CG 3.74Å; K2-L7 HydrophobicContact CD-CD2 3.59Å; K2-L7 HydrophobicContact CD-CG 4.35Å; K2-L7 HydrophobicContact CG-CD2 4.43Å; C3-L7 PolarHBondContact O-N 2.95Å; Y4-L7 HydrophobicContact CD1-CD1 4.09Å; Y4-L7 PolarHBondContact O-N 3.24Å; L7-L26 WeakPolarHBondContact O-CD1 3.31Å; L7-E46 HydrophobicContact CD1-CB 4.23Å; L7-E46 HydrophobicContact CD2-CB 4.47Å; L7-A50 HydrophobicContact CD1-CB 4.48Å
8	L	91.6	Very high	88.7	Confident	6 Å²	6	69.6 Å²	69.6	3%	0.031	37%	0.373	C	S	.	.	H	α-helix	trans	-84.3	-11	178.1	-66.4	178.9	0	0	0	113.8	Y4 E6 V10 L19 L26 I47 A50 L54	Y4-L8 PolarHBondContact O-N 3.3Å; E6-L8 VanDerWaalsContact C-N 3.31Å; E6-L8 PolarHBondContact O-N 3.49Å; L8-V10 VanDerWaalsContact C-N 3.31Å; L8-V10 HydrophobicContact CB-CG1 4.34Å; L8-V10 HydrophobicContact CB-CG2 3.93Å; L8-V10 PolarHBondContact O-N 2.89Å; L8-L19 HydrophobicContact CD1-CD1 3.43Å; L8-L19 VanDerWaalsContact CD1-CD1 3.43Å; L8-L26 VanDerWaalsContact CA-CD1 3.45Å; L8-L26 HydrophobicContact CB-CD1 4.34Å; L8-L26 HydrophobicContact CD2-CD1 3.84Å; L8-I47 HydrophobicContact CD2-CG2 3.99Å; L8-A50 HydrophobicContact CD1-CB 4.16Å; L8-A50 HydrophobicContact CD2-CB 4.44Å; L8-A50 HydrophobicContact CG-CB 4.04Å; L8-L54 HydrophobicContact CD1-CD1 3.83Å
9	G	90.3	Very high	89	Confident	69 Å²	69	65.9 Å²	65.9	71%	0.711	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	32	-175.8	0	0	0	0	0	113.6	Y5 E6	Y5-G9 PolarHBondContact O-N 2.96Å; E6-G9 PolarHBondContact O-N 3.41Å
10	V	92	Very high	89.2	Confident	26 Å²	26	68.9 Å²	68.9	16%	0.158	36%	0.363	C	S	.	.			trans	-118.5	156.2	-177.2	-59.6	0	0	0	0	111.7	Y5 L8 V14 L19 A22	Y5-V10 WeakPolarHBondContact CB-O 3.42Å; Y5-V10 HydrophobicContact CD1-CG2 3.98Å; Y5-V10 PolarHBondContact O-N 3.17Å; L8-V10 VanDerWaalsContact C-N 3.31Å; L8-V10 HydrophobicContact CB-CG1 4.34Å; L8-V10 HydrophobicContact CB-CG2 3.93Å; L8-V10 PolarHBondContact O-N 2.89Å; V10-V14 HydrophobicContact CB-CB 4.14Å; V10-V14 HydrophobicContact CB-CG1 4.29Å; V10-V14 HydrophobicContact CB-CG2 4.04Å; V10-V14 HydrophobicContact CG1-CG2 4.29Å; V10-V14 HydrophobicContact CG2-CB 4.28Å; V10-V14 HydrophobicContact CG2-CG1 3.88Å; V10-V14 HydrophobicContact CG2-CG2 4.46Å; V10-L19 HydrophobicContact CG2-CD1 4.26Å; V10-A22 HydrophobicContact CG1-CB 3.39Å
11	T	92	Very high	89.4	Confident	103 Å²	103	71.6 Å²	71.6	63%	0.632	37%	0.372	S	S	*	.			trans	-76.5	159.9	176.4	63	0	0	0	0	111.3	N13 V14	T11-N13 PolarHBondContact O-N 3.39Å; T11-V14 WeakPolarHBondContact O-CB 3.24Å; T11-V14 WeakPolarHBondContact O-CG1 3.45Å; T11-V14 PolarHBondContact O-N 2.91Å
12	Q	88.1	Confident	90.7	Very high	112 Å²	112	67.5 Å²	67.5	52%	0.523	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.9	-179.7	-64.3	174.9	36	0	0	112.7	Y5 V14 R60	Y5-Q12 HydrophobicContact CD2-CG 3.97Å; Y5-Q12 HydrophobicContact CE2-CB 4.45Å; Y5-Q12 HydrophobicContact CE2-CG 4.16Å; Y5-Q12 HydrophobicContact CG-CG 4.25Å; Q12-V14 VanDerWaalsContact C-N 3.32Å; Q12-V14 PolarHBondContact O-N 3.2Å; Q12-R60 PolarHBondContact O-NH2 2.96Å
13	N	89.1	Confident	91.6	Very high	153 Å²	153	64.7 Å²	64.7	82%	0.818	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	20.5	-179.6	-61.9	-28.4	0	0	0	113.3	T11	T11-N13 PolarHBondContact O-N 3.39Å
14	V	90.4	Very high	91.9	Very high	14 Å²	14	72.5 Å²	72.5	9%	0.085	37%	0.372	C	S	.	.			trans	-63	135.7	-175.9	67.6	0	0	0	0	112.5	Y5 V10 T11 Q12 D18 L19 R60	Y5-V14 HydrophobicContact CE1-CG1 4.31Å; V10-V14 HydrophobicContact CB-CB 4.14Å; V10-V14 HydrophobicContact CB-CG1 4.29Å; V10-V14 HydrophobicContact CB-CG2 4.04Å; V10-V14 HydrophobicContact CG1-CG2 4.29Å; V10-V14 HydrophobicContact CG2-CB 4.28Å; V10-V14 HydrophobicContact CG2-CG1 3.88Å; V10-V14 HydrophobicContact CG2-CG2 4.46Å; T11-V14 WeakPolarHBondContact O-CB 3.24Å; T11-V14 WeakPolarHBondContact O-CG1 3.45Å; T11-V14 PolarHBondContact O-N 2.91Å; Q12-V14 VanDerWaalsContact C-N 3.32Å; Q12-V14 PolarHBondContact O-N 3.2Å; V14-D18 HydrophobicContact CG2-CB 3.73Å; V14-L19 HydrophobicContact CG1-CB 4.3Å; V14-L19 HydrophobicContact CG1-CD1 4.21Å; V14-L19 HydrophobicContact CG2-CB 4.35Å; V14-R60 VanDerWaalsContact O-CZ 3.32Å; V14-R60 PolarHBondContact O-NH1 3.46Å; V14-R60 PolarHBondContact O-NH2 3.49Å
15	E	92.4	Very high	92.1	Very high	137 Å²	137	79.5 Å²	79.5	64%	0.64	40%	0.402	S	S	*	.			trans	-73.4	154.6	171.4	-65.5	-170.1	172.7	0	0	111.5	V17 D18 L19	E15-V17 PolarHBondContact O-N 3.2Å; E15-V17 VanDerWaalsContact O-N 3.14Å; E15-D18 PolarHBondContact O-N 3.4Å; E15-D18 VanDerWaalsContact O-N 3.13Å; E15-L19 PolarHBondContact O-N 3.42Å
16	Q	90.9	Very high	92.1	Very high	84 Å²	84	80.5 Å²	80.5	39%	0.393	41%	0.408	S	S	.	.	H	α-helix	trans	-57.5	-34.1	-176.9	-170.3	67.1	10.2	0	0	113.1	K20 S55	Q16-K20 PolarHBondContact O-N 3.25Å; Q16-K20 VanDerWaalsContact O-N 3.11Å; Q16-S55 PolarHBondContact NE2-O 3.38Å; Q16-S55 VanDerWaalsContact NE2-O 3.13Å
17	V	92.5	Very high	92.1	Very high	87 Å²	87	75.2 Å²	75.2	53%	0.527	39%	0.385	S	S	.	.	H	α-helix	trans	-65.7	-45.6	179.8	179.9	0	0	0	0	110.6	E15 K20 K21	E15-V17 PolarHBondContact O-N 3.2Å; E15-V17 VanDerWaalsContact O-N 3.14Å; V17-K20 PolarHBondContact O-N 3.28Å; V17-K21 WeakPolarHBondContact O-CG 3.39Å; V17-K21 PolarHBondContact O-N 3.48Å; V17-K21 VanDerWaalsContact O-N 3.07Å
18	D	93.4	Very high	92.1	Very high	70 Å²	70	77.8 Å²	77.8	37%	0.374	40%	0.399	S	S	.	.	H	α-helix	trans	-74.8	-32.3	-178.4	-66.9	-27.2	0	0	0	112.1	V14 E15 K20 K21 A22	V14-D18 HydrophobicContact CG2-CB 3.73Å; E15-D18 PolarHBondContact O-N 3.4Å; E15-D18 VanDerWaalsContact O-N 3.13Å; D18-K20 VanDerWaalsContact C-N 3.3Å; D18-K20 PolarHBondContact O-N 2.98Å; D18-K21 PolarHBondContact O-N 2.93Å; D18-K21 IonicContact OD1-NZ 2.82Å; D18-K21 PolarHBondContact OD1-NZ 3.38Å; D18-A22 WeakPolarHBondContact O-CB 3.18Å; D18-A22 PolarHBondContact O-N 3.28Å
19	L	93.4	Very high	92	Very high	0 Å²	0	82.8 Å²	82.8	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-58.1	-43.9	169.5	-176.8	69	0	0	0	111.3	L8 V10 V14 E15 A22 Y23 Y51 L54	L8-L19 HydrophobicContact CD1-CD1 3.43Å; L8-L19 VanDerWaalsContact CD1-CD1 3.43Å; V10-L19 HydrophobicContact CG2-CD1 4.26Å; V14-L19 HydrophobicContact CG1-CB 4.3Å; V14-L19 HydrophobicContact CG1-CD1 4.21Å; V14-L19 HydrophobicContact CG2-CB 4.35Å; E15-L19 PolarHBondContact O-N 3.42Å; L19-A22 PolarHBondContact O-N 3.36Å; L19-Y23 WeakPolarHBondContact O-CB 3.37Å; L19-Y23 PolarHBondContact O-N 3.05Å; L19-Y51 HydrophobicContact CD2-CD2 4.48Å; L19-Y51 HydrophobicContact CG-CD2 4.17Å; L19-Y51 HydrophobicContact CG-CE2 4.3Å; L19-L54 HydrophobicContact CD1-CB 4.04Å; L19-L54 HydrophobicContact CD1-CD1 4.08Å; L19-L54 HydrophobicContact CD2-CB 3.7Å; L19-L54 WeakPolarHBondContact CD2-O 3.26Å
20	K	93.5	Very high	92	Very high	126 Å²	126	82.4 Å²	82.4	55%	0.548	40%	0.399	S	S	.	.	H	α-helix	trans	-65.2	-40.9	176.5	-171.7	179.2	179.6	-176.6	0	112	Q16 V17 D18 Y23 Y24 Y51	Q16-K20 PolarHBondContact O-N 3.25Å; Q16-K20 VanDerWaalsContact O-N 3.11Å; V17-K20 PolarHBondContact O-N 3.28Å; D18-K20 VanDerWaalsContact C-N 3.3Å; D18-K20 PolarHBondContact O-N 2.98Å; K20-Y23 PolarHBondContact O-N 3.4Å; K20-Y24 WeakPolarHBondContact O-CB 3.31Å; K20-Y24 PolarHBondContact O-N 3.18Å; K20-Y51 HydrophobicContact CB-CE2 4.46Å
21	K	93.7	Very high	91.8	Very high	126 Å²	126	85 Å²	85	55%	0.548	41%	0.409	S	S	.	.	H	α-helix	trans	-63.2	-44.5	175.9	-69	173.9	-168.4	154.6	0	111.9	V17 D18 Y24 K25	V17-K21 WeakPolarHBondContact O-CG 3.39Å; V17-K21 PolarHBondContact O-N 3.48Å; V17-K21 VanDerWaalsContact O-N 3.07Å; D18-K21 PolarHBondContact O-N 2.93Å; D18-K21 IonicContact OD1-NZ 2.82Å; D18-K21 PolarHBondContact OD1-NZ 3.38Å; K21-Y24 PolarHBondContact O-N 3.2Å; K21-K25 PolarHBondContact O-N 3.44Å
22	A	94.3	Very high	91.6	Very high	18 Å²	18	82.9 Å²	82.9	15%	0.149	40%	0.398	C	S	.	.	H	α-helix	trans	-62.6	-45.5	178	0	0	0	0	0	111.4	V10 D18 L19 Y24 K25 L26	V10-A22 HydrophobicContact CG1-CB 3.39Å; D18-A22 WeakPolarHBondContact O-CB 3.18Å; D18-A22 PolarHBondContact O-N 3.28Å; L19-A22 PolarHBondContact O-N 3.36Å; A22-Y24 PolarHBondContact O-N 3.44Å; A22-K25 PolarHBondContact O-N 3.03Å; A22-L26 WeakPolarHBondContact O-CB 3.49Å; A22-L26 PolarHBondContact O-N 2.98Å
23	Y	94.9	Very high	91.6	Very high	54 Å²	54	84.1 Å²	84.1	21%	0.212	41%	0.408	C	S	.	.	H	α-helix	trans	-58.9	-45.3	173.9	173.1	-107.4	0	0	0	112.3	L19 K20 K25 L26 S27 I47 Q48 Y51	L19-Y23 WeakPolarHBondContact O-CB 3.37Å; L19-Y23 PolarHBondContact O-N 3.05Å; K20-Y23 PolarHBondContact O-N 3.4Å; Y23-K25 PolarHBondContact O-N 3.35Å; Y23-L26 PolarHBondContact O-N 3.34Å; Y23-S27 VanDerWaalsContact CE2-OG 3.22Å; Y23-S27 WeakPolarHBondContact CE2-OG 3.43Å; Y23-S27 VanDerWaalsContact CZ-OG 3.29Å; Y23-S27 WeakPolarHBondContact O-CB 3.35Å; Y23-S27 PolarHBondContact O-N 3.44Å; Y23-S27 PolarHBondContact O-OG 2.96Å; Y23-I47 HydrophobicContact CD2-CG2 3.79Å; Y23-I47 HydrophobicContact CE2-CG2 4Å; Y23-Q48 HydrophobicContact CE2-CG 4.42Å; Y23-Y51 VanDerWaalsContact CB-CD2 3.47Å; Y23-Y51 AromaticContact CD1-CD1 3.87Å; Y23-Y51 HydrophobicContact CD1-CD1 3.87Å; Y23-Y51 HydrophobicContact CD1-CD2 4.1Å; Y23-Y51 AromaticContact CD1-CE1 3.98Å; Y23-Y51 HydrophobicContact CD1-CE1 3.98Å; Y23-Y51 HydrophobicContact CD1-CE2 4.21Å; Y23-Y51 AromaticContact CD1-CG 3.93Å; Y23-Y51 HydrophobicContact CD1-CG 3.93Å; Y23-Y51 HydrophobicContact CD2-CD1 4.03Å; Y23-Y51 HydrophobicContact CD2-CD2 4.08Å; Y23-Y51 AromaticContact CD2-CG 3.55Å; Y23-Y51 HydrophobicContact CD2-CG 3.55Å; Y23-Y51 AromaticContact CE1-CD1 3.93Å; Y23-Y51 HydrophobicContact CE1-CD1 3.93Å; Y23-Y51 HydrophobicContact CE1-CE1 4.11Å; Y23-Y51 HydrophobicContact CE1-CG 4.36Å; Y23-Y51 HydrophobicContact CE2-CD1 4.08Å; Y23-Y51 HydrophobicContact CE2-CG 4.01Å; Y23-Y51 AromaticContact CG-CD1 3.91Å; Y23-Y51 HydrophobicContact CG-CD1 3.91Å; Y23-Y51 AromaticContact CG-CD2 3.61Å; Y23-Y51 HydrophobicContact CG-CD2 3.61Å; Y23-Y51 HydrophobicContact CG-CE1 4.38Å; Y23-Y51 HydrophobicContact CG-CE2 4.12Å; Y23-Y51 AromaticContact CG-CG 3.48Å; Y23-Y51 HydrophobicContact CG-CG 3.48Å; Y23-Y51 VanDerWaalsContact CG-CG 3.48Å
24	Y	93.9	Very high	91.4	Very high	166 Å²	166	83.5 Å²	83.5	65%	0.651	40%	0.398	S	S	*	.	H	α-helix	trans	-60.7	-46	178.2	-179.7	-104.5	0	0	0	112	K20 K21 A22 L26 S27 L28	K20-Y24 WeakPolarHBondContact O-CB 3.31Å; K20-Y24 PolarHBondContact O-N 3.18Å; K21-Y24 PolarHBondContact O-N 3.2Å; A22-Y24 PolarHBondContact O-N 3.44Å; Y24-L26 PolarHBondContact O-N 2.91Å; Y24-S27 PolarHBondContact O-N 2.93Å; Y24-L28 PolarHBondContact O-N 3.3Å
25	K	93.3	Very high	90.8	Very high	155 Å²	155	85.1 Å²	85.1	67%	0.674	41%	0.406	S	S	*	.	H	α-helix	trans	-60.9	-46.8	178.2	-175	-179.8	178.1	-176.8	0	112	K21 A22 Y23 L28 Q29	K21-K25 PolarHBondContact O-N 3.44Å; A22-K25 PolarHBondContact O-N 3.03Å; Y23-K25 PolarHBondContact O-N 3.35Å; K25-L28 PolarHBondContact O-N 3.49Å; K25-Q29 PolarHBondContact O-N 3.34Å
26	L	92.6	Very high	90.2	Very high	28 Å²	28	85 Å²	85	15%	0.147	41%	0.414	C	S	.	.	H	α-helix	trans	-71	-36.7	-179.9	-75.4	169.6	0	0	0	112.6	L7 L8 A22 Y23 Y24 L28 Q29 W30 I47	L7-L26 WeakPolarHBondContact O-CD1 3.31Å; L8-L26 VanDerWaalsContact CA-CD1 3.45Å; L8-L26 HydrophobicContact CB-CD1 4.34Å; L8-L26 HydrophobicContact CD2-CD1 3.84Å; A22-L26 WeakPolarHBondContact O-CB 3.49Å; A22-L26 PolarHBondContact O-N 2.98Å; Y23-L26 PolarHBondContact O-N 3.34Å; Y24-L26 PolarHBondContact O-N 2.91Å; L26-L28 VanDerWaalsContact C-N 3.28Å; L26-L28 PolarHBondContact O-N 3.37Å; L26-Q29 PolarHBondContact O-N 3.4Å; L26-W30 PolarHBondContact O-N 3.4Å; L26-I47 HydrophobicContact CB-CD1 4.11Å; L26-I47 HydrophobicContact CB-CG2 4.18Å
27	S	91.5	Very high	89.8	Confident	18 Å²	18	84.4 Å²	84.4	13%	0.126	42%	0.417	C	S	.	.	H	α-helix	trans	-63.1	-37.4	175.8	-62.7	0	0	0	0	111.6	Y23 Y24 H31	Y23-S27 VanDerWaalsContact CE2-OG 3.22Å; Y23-S27 WeakPolarHBondContact CE2-OG 3.43Å; Y23-S27 VanDerWaalsContact CZ-OG 3.29Å; Y23-S27 WeakPolarHBondContact O-CB 3.35Å; Y23-S27 PolarHBondContact O-N 3.44Å; Y23-S27 PolarHBondContact O-OG 2.96Å; Y24-S27 PolarHBondContact O-N 2.93Å; S27-H31 WeakPolarHBondContact O-CB 3.48Å; S27-H31 PolarHBondContact O-N 2.84Å; S27-H31 VanDerWaalsContact O-N 3.09Å
28	L	90.4	Very high	89.1	Confident	82 Å²	82	88.5 Å²	88.5	43%	0.429	43%	0.43	S	S	.	.	H	α-helix	trans	-69.6	-35.4	175.1	-170.2	65.6	0	0	0	112	Y24 K25 L26 K34	Y24-L28 PolarHBondContact O-N 3.3Å; K25-L28 PolarHBondContact O-N 3.49Å; L26-L28 VanDerWaalsContact C-N 3.28Å; L26-L28 PolarHBondContact O-N 3.37Å; L28-K34 HydrophobicContact CD1-CD 4.31Å
29	Q	89.3	Confident	88.6	Confident	111 Å²	111	90.6 Å²	90.6	52%	0.519	44%	0.442	S	S	.	.	H	α-helix	trans	-72.8	-40	179.5	-177.1	174.2	4.9	0	0	112.7	K25 L26	K25-Q29 PolarHBondContact O-N 3.34Å; L26-Q29 PolarHBondContact O-N 3.4Å
30	W	89.9	Confident	88.3	Confident	60 Å²	60	90.6 Å²	90.6	23%	0.227	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	24.1	-176.5	-64.5	103.1	0	0	0	112.6	L26 T40 I43 F44 I47	L26-W30 PolarHBondContact O-N 3.4Å; W30-T40 HydrophobicContact CB-CG2 4.39Å; W30-T40 HydrophobicContact CE3-CG2 4.08Å; W30-T40 WeakPolarHBondContact O-CG2 3.22Å; W30-I43 HydrophobicContact CD2-CB 4.39Å; W30-I43 HydrophobicContact CD2-CG2 3.71Å; W30-I43 HydrophobicContact CE3-CB 4.27Å; W30-I43 HydrophobicContact CE3-CD1 4.16Å; W30-I43 HydrophobicContact CE3-CG2 4.08Å; W30-I43 HydrophobicContact CG-CG2 3.98Å; W30-I43 HydrophobicContact CH2-CD1 3.65Å; W30-I43 HydrophobicContact CZ2-CD1 4.22Å; W30-I43 HydrophobicContact CZ2-CG2 4.31Å; W30-I43 HydrophobicContact CZ3-CD1 3.62Å; W30-F44 HydrophobicContact CB-CB 4.41Å; W30-F44 HydrophobicContact CB-CD2 4.33Å; W30-F44 WeakPolarHBondContact O-CB 3.31Å; W30-F44 VanDerWaalsContact O-CD2 3.29Å; W30-F44 WeakPolarHBondContact O-CD2 3.38Å; W30-F44 WeakPolarHBondContact O-CG 3.36Å; W30-I47 HydrophobicContact CB-CD1 4.04Å; W30-I47 VanDerWaalsContact CD1-CD1 3.46Å; W30-I47 HydrophobicContact CG-CD1 3.87Å
31	H	88.8	Confident	87.9	Confident	80 Å²	80	87.8 Å²	87.8	37%	0.37	44%	0.435	S	S	.	.			trans	-68.7	131.2	174.4	-163.4	-92.9	0	0	0	109.3	S27 D33 K34 N35	S27-H31 WeakPolarHBondContact O-CB 3.48Å; S27-H31 PolarHBondContact O-N 2.84Å; S27-H31 VanDerWaalsContact O-N 3.09Å; H31-D33 WeakPolarHBondContact ND1-CB 3.37Å; H31-D33 PolarHBondContact ND1-N 3.25Å; H31-D33 PolarHBondContact O-N 3.43Å; H31-D33 VanDerWaalsContact O-N 3.09Å; H31-K34 HydrophobicContact CB-CB 4.45Å; H31-K34 HydrophobicContact CB-CG 4.38Å; H31-K34 PolarHBondContact O-N 2.91Å; H31-N35 PolarHBondContact O-N 2.96Å
32	P	87.5	Confident	87.6	Confident	60 Å²	60	85.5 Å²	85.5	39%	0.39	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.1	-177.4	23.4	-34.3	0	0	0	113.2
33	D	87.7	Confident	87.4	Confident	137 Å²	137	86.3 Å²	86.3	73%	0.733	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-32	174.6	-166.6	41	0	0	0	113.2	H31	H31-D33 WeakPolarHBondContact ND1-CB 3.37Å; H31-D33 PolarHBondContact ND1-N 3.25Å; H31-D33 PolarHBondContact O-N 3.43Å; H31-D33 VanDerWaalsContact O-N 3.09Å
34	K	85	Confident	87.1	Confident	140 Å²	140	85.2 Å²	85.2	61%	0.609	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-25	-178.3	-65.1	-162.3	179.1	-153.1	0	113.3	L28 H31	L28-K34 HydrophobicContact CD1-CD 4.31Å; H31-K34 HydrophobicContact CB-CB 4.45Å; H31-K34 HydrophobicContact CB-CG 4.38Å; H31-K34 PolarHBondContact O-N 2.91Å
35	N	78.2	Confident	86.9	Confident	48 Å²	48	82 Å²	82	26%	0.257	42%	0.42	S	S	.	.			trans	-135.7	106.3	-178.7	-172	-9.1	0	0	0	109.5	H31 T37 T40	H31-N35 PolarHBondContact O-N 2.96Å; N35-T37 PolarHBondContact O-N 2.61Å; N35-T37 WeakPolarHBondContact OD1-CG2 3.31Å; N35-T37 PolarHBondContact OD1-N 2.85Å; N35-T37 PolarHBondContact OD1-OG1 2.84Å; N35-T40 HydrophobicContact CB-CG2 4.02Å; N35-T40 PolarHBondContact ND2-OG1 2.78Å; N35-T40 VanDerWaalsContact ND2-OG1 3.17Å; N35-T40 WeakPolarHBondContact O-CB 3.46Å; N35-T40 WeakPolarHBondContact O-CG2 3.41Å; N35-T40 PolarHBondContact O-OG1 2.8Å; N35-T40 PolarHBondContact OD1-OG1 3.12Å
36	T	78.8	Confident	86.7	Confident	134 Å²	134	77.3 Å²	77.3	82%	0.822	40%	0.4	S	S	*	.			trans	-84.9	10.3	-173.5	-37.6	0	0	0	0	113.3
37	T	82.5	Confident	86.6	Confident	72 Å²	72	76 Å²	76	44%	0.442	39%	0.394	S	S	.	.			trans	-72.2	140.4	177.5	51.9	0	0	0	0	110.8	N35 D39 T40	N35-T37 PolarHBondContact O-N 2.61Å; N35-T37 WeakPolarHBondContact OD1-CG2 3.31Å; N35-T37 PolarHBondContact OD1-N 2.85Å; N35-T37 PolarHBondContact OD1-OG1 2.84Å; T37-D39 PolarHBondContact O-N 2.83Å; T37-T40 WeakPolarHBondContact O-CB 3.32Å; T37-T40 PolarHBondContact O-N 2.79Å; T37-T40 PolarHBondContact O-OG1 2.93Å; T37-T40 PolarHBondContact OG1-OG1 3.23Å
38	E	77.8	Confident	86.6	Confident	174 Å²	174	78.2 Å²	78.2	81%	0.813	40%	0.402	S	S	*	.	H	α-helix	trans	-56.2	-38.9	-178.6	-65.7	-178.5	176.7	0	0	112.1	T40 T41	E38-T40 PolarHBondContact O-N 3.49Å; E38-T41 PolarHBondContact O-N 3.2Å; E38-T41 PolarHBondContact O-OG1 2.89Å
39	D	83.8	Confident	86.6	Confident	114 Å²	114	75.1 Å²	75.1	61%	0.61	39%	0.386	S	S	*	.	H	α-helix	trans	-63.1	-24.9	177	-67	-21.9	0	0	0	113.4	T37 T41 V42 I43	T37-D39 PolarHBondContact O-N 2.83Å; D39-T41 VanDerWaalsContact C-N 3.27Å; D39-T41 PolarHBondContact O-N 3.34Å; D39-V42 PolarHBondContact O-N 3.43Å; D39-I43 HydrophobicContact CB-CD1 4.34Å; D39-I43 WeakPolarHBondContact O-CB 3.33Å; D39-I43 VanDerWaalsContact O-CG1 3.3Å; D39-I43 WeakPolarHBondContact O-CG1 3.41Å; D39-I43 PolarHBondContact O-N 3.05Å
40	T	87	Confident	86.6	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-60	-40.8	179.3	-69.4	0	0	0	0	111	W30 N35 T37 E38 V42 I43 F44	W30-T40 HydrophobicContact CB-CG2 4.39Å; W30-T40 HydrophobicContact CE3-CG2 4.08Å; W30-T40 WeakPolarHBondContact O-CG2 3.22Å; N35-T40 HydrophobicContact CB-CG2 4.02Å; N35-T40 PolarHBondContact ND2-OG1 2.78Å; N35-T40 VanDerWaalsContact ND2-OG1 3.17Å; N35-T40 WeakPolarHBondContact O-CB 3.46Å; N35-T40 WeakPolarHBondContact O-CG2 3.41Å; N35-T40 PolarHBondContact O-OG1 2.8Å; N35-T40 PolarHBondContact OD1-OG1 3.12Å; T37-T40 WeakPolarHBondContact O-CB 3.32Å; T37-T40 PolarHBondContact O-N 2.79Å; T37-T40 PolarHBondContact O-OG1 2.93Å; T37-T40 PolarHBondContact OG1-OG1 3.23Å; E38-T40 PolarHBondContact O-N 3.49Å; T40-V42 VanDerWaalsContact C-N 3.33Å; T40-V42 PolarHBondContact O-N 3.28Å; T40-I43 PolarHBondContact O-N 2.81Å; T40-F44 WeakPolarHBondContact O-CB 3.5Å; T40-F44 PolarHBondContact O-N 3.23Å
41	T	86.1	Confident	86.8	Confident	67 Å²	67	69.3 Å²	69.3	41%	0.411	36%	0.359	S	S	.	.	H	α-helix	trans	-64.5	-40.6	-178.7	64	0	0	0	0	111.6	E38 D39 Q45	E38-T41 PolarHBondContact O-N 3.2Å; E38-T41 PolarHBondContact O-OG1 2.89Å; D39-T41 VanDerWaalsContact C-N 3.27Å; D39-T41 PolarHBondContact O-N 3.34Å; T41-Q45 VanDerWaalsContact O-CG 3.24Å; T41-Q45 WeakPolarHBondContact O-CG 3.42Å; T41-Q45 PolarHBondContact O-N 2.66Å
42	V	86.8	Confident	86.9	Confident	77 Å²	77	70.1 Å²	70.1	47%	0.467	36%	0.361	S	S	.	.	H	α-helix	trans	-67.6	-49.4	178	-179.6	0	0	0	0	110.3	D39 T40 F44 Q45 E46	D39-V42 PolarHBondContact O-N 3.43Å; T40-V42 VanDerWaalsContact C-N 3.33Å; T40-V42 PolarHBondContact O-N 3.28Å; V42-F44 VanDerWaalsContact C-N 3.32Å; V42-F44 PolarHBondContact O-N 3.27Å; V42-Q45 PolarHBondContact O-N 2.85Å; V42-E46 WeakPolarHBondContact O-CG 3.49Å; V42-E46 PolarHBondContact O-N 3.24Å
43	I	88.6	Confident	87	Confident	35 Å²	35	67.6 Å²	67.6	18%	0.179	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-41.2	179.4	-66.8	167.1	0	0	0	110.9	W30 D39 T40 Q45 E46 I47	W30-I43 HydrophobicContact CD2-CB 4.39Å; W30-I43 HydrophobicContact CD2-CG2 3.71Å; W30-I43 HydrophobicContact CE3-CB 4.27Å; W30-I43 HydrophobicContact CE3-CD1 4.16Å; W30-I43 HydrophobicContact CE3-CG2 4.08Å; W30-I43 HydrophobicContact CG-CG2 3.98Å; W30-I43 HydrophobicContact CH2-CD1 3.65Å; W30-I43 HydrophobicContact CZ2-CD1 4.22Å; W30-I43 HydrophobicContact CZ2-CG2 4.31Å; W30-I43 HydrophobicContact CZ3-CD1 3.62Å; D39-I43 HydrophobicContact CB-CD1 4.34Å; D39-I43 WeakPolarHBondContact O-CB 3.33Å; D39-I43 VanDerWaalsContact O-CG1 3.3Å; D39-I43 WeakPolarHBondContact O-CG1 3.41Å; D39-I43 PolarHBondContact O-N 3.05Å; T40-I43 PolarHBondContact O-N 2.81Å; I43-Q45 PolarHBondContact O-N 3.24Å; I43-E46 WeakPolarHBondContact O-CB 3.26Å; I43-E46 PolarHBondContact O-N 2.98Å; I43-I47 HydrophobicContact CG2-CD1 3.77Å; I43-I47 HydrophobicContact CG2-CG1 4.44Å; I43-I47 WeakPolarHBondContact O-CD1 3.48Å; I43-I47 VanDerWaalsContact O-CG1 3.29Å; I43-I47 WeakPolarHBondContact O-CG1 3.37Å; I43-I47 PolarHBondContact O-N 3.43Å
44	F	90.4	Very high	87.2	Confident	32 Å²	32	61 Å²	61	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-63.1	-41.5	177	-175.3	-113.3	0	0	0	112	W30 T40 V42 I47 Q48	W30-F44 HydrophobicContact CB-CB 4.41Å; W30-F44 HydrophobicContact CB-CD2 4.33Å; W30-F44 WeakPolarHBondContact O-CB 3.31Å; W30-F44 VanDerWaalsContact O-CD2 3.29Å; W30-F44 WeakPolarHBondContact O-CD2 3.38Å; W30-F44 WeakPolarHBondContact O-CG 3.36Å; T40-F44 WeakPolarHBondContact O-CB 3.5Å; T40-F44 PolarHBondContact O-N 3.23Å; V42-F44 VanDerWaalsContact C-N 3.32Å; V42-F44 PolarHBondContact O-N 3.27Å; F44-I47 PolarHBondContact O-N 2.75Å; F44-Q48 HydrophobicContact CD1-CG 4.48Å; F44-Q48 HydrophobicContact CE1-CG 4.26Å; F44-Q48 HydrophobicContact CZ-CG 4.34Å; F44-Q48 WeakPolarHBondContact O-CG 3.27Å; F44-Q48 PolarHBondContact O-N 3.03Å
45	Q	87.9	Confident	87.5	Confident	97 Å²	97	56 Å²	56	45%	0.453	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-41.3	173.8	-73	174.6	22.3	0	0	112	T41 V42 I43 I47 Q48 E49	T41-Q45 VanDerWaalsContact O-CG 3.24Å; T41-Q45 WeakPolarHBondContact O-CG 3.42Å; T41-Q45 PolarHBondContact O-N 2.66Å; V42-Q45 PolarHBondContact O-N 2.85Å; I43-Q45 PolarHBondContact O-N 3.24Å; Q45-I47 VanDerWaalsContact C-N 3.34Å; Q45-I47 PolarHBondContact O-N 2.88Å; Q45-Q48 PolarHBondContact O-N 3.44Å; Q45-E49 WeakPolarHBondContact O-CB 3.42Å; Q45-E49 PolarHBondContact O-N 3.36Å
46	E	89.3	Confident	88.1	Confident	57 Å²	57	55.8 Å²	55.8	27%	0.266	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-40.9	174.1	-69.9	-174.9	162.6	0	0	111.8	L7 V42 I43 E49 A50	L7-E46 HydrophobicContact CD1-CB 4.23Å; L7-E46 HydrophobicContact CD2-CB 4.47Å; V42-E46 WeakPolarHBondContact O-CG 3.49Å; V42-E46 PolarHBondContact O-N 3.24Å; I43-E46 WeakPolarHBondContact O-CB 3.26Å; I43-E46 PolarHBondContact O-N 2.98Å; E46-E49 PolarHBondContact O-N 3.03Å; E46-A50 WeakPolarHBondContact O-CB 3.35Å; E46-A50 PolarHBondContact O-N 3.16Å
47	I	92.3	Very high	88.7	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-44.6	176.6	-70.9	160	0	0	0	111.1	L8 Y23 L26 W30 I43 F44 Q45 E49 A50 Y51	L8-I47 HydrophobicContact CD2-CG2 3.99Å; Y23-I47 HydrophobicContact CD2-CG2 3.79Å; Y23-I47 HydrophobicContact CE2-CG2 4Å; L26-I47 HydrophobicContact CB-CD1 4.11Å; L26-I47 HydrophobicContact CB-CG2 4.18Å; W30-I47 HydrophobicContact CB-CD1 4.04Å; W30-I47 VanDerWaalsContact CD1-CD1 3.46Å; W30-I47 HydrophobicContact CG-CD1 3.87Å; I43-I47 HydrophobicContact CG2-CD1 3.77Å; I43-I47 HydrophobicContact CG2-CG1 4.44Å; I43-I47 WeakPolarHBondContact O-CD1 3.48Å; I43-I47 VanDerWaalsContact O-CG1 3.29Å; I43-I47 WeakPolarHBondContact O-CG1 3.37Å; I43-I47 PolarHBondContact O-N 3.43Å; F44-I47 PolarHBondContact O-N 2.75Å; Q45-I47 VanDerWaalsContact C-N 3.34Å; Q45-I47 PolarHBondContact O-N 2.88Å; I47-E49 VanDerWaalsContact C-N 3.3Å; I47-E49 PolarHBondContact O-N 3.25Å; I47-A50 PolarHBondContact O-N 3.25Å; I47-Y51 PolarHBondContact O-N 2.95Å
48	Q	91.4	Very high	88.9	Confident	64 Å²	64	58.4 Å²	58.4	30%	0.299	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-41.5	176.1	-74.7	-173.7	-15.5	0	0	111.7	Y23 F44 Q45 K52	Y23-Q48 HydrophobicContact CE2-CG 4.42Å; F44-Q48 HydrophobicContact CD1-CG 4.48Å; F44-Q48 HydrophobicContact CE1-CG 4.26Å; F44-Q48 HydrophobicContact CZ-CG 4.34Å; F44-Q48 WeakPolarHBondContact O-CG 3.27Å; F44-Q48 PolarHBondContact O-N 3.03Å; Q45-Q48 PolarHBondContact O-N 3.44Å; Q48-K52 WeakPolarHBondContact O-CB 3.49Å; Q48-K52 PolarHBondContact O-N 2.77Å
49	E	88.6	Confident	89.3	Confident	17 Å²	17	51.5 Å²	51.5	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-48.8	176.5	-174.2	-174.7	164.6	0	0	111.6	Y4 Q45 E46 I47 Y51 K52 V53 T98 R99	Y4-E49 HydrophobicContact CE1-CG 4.2Å; Y4-E49 PolarHBondContact OH-OE1 2.96Å; Q45-E49 WeakPolarHBondContact O-CB 3.42Å; Q45-E49 PolarHBondContact O-N 3.36Å; E46-E49 PolarHBondContact O-N 3.03Å; I47-E49 VanDerWaalsContact C-N 3.3Å; I47-E49 PolarHBondContact O-N 3.25Å; E49-Y51 VanDerWaalsContact C-N 3.29Å; E49-Y51 PolarHBondContact O-N 3.27Å; E49-K52 PolarHBondContact O-N 3.13Å; E49-K52 VanDerWaalsContact O-N 3.15Å; E49-V53 PolarHBondContact O-N 3.24Å; E49-T98 WeakPolarHBondContact OE1-CA 3.44Å; E49-T98 WeakPolarHBondContact OE1-CB 3.48Å; E49-R99 HydrophobicContact CG-CB 4.1Å; E49-R99 PolarHBondContact OE1-N 2.8Å; E49-R99 VanDerWaalsContact OE2-CB 3.28Å; E49-R99 WeakPolarHBondContact OE2-CB 3.35Å; E49-R99 PolarHBondContact OE2-N 3.34Å
50	A	91.3	Very high	89.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-55.3	-46.1	177.7	0	0	0	0	0	111.4	Y4 L7 L8 E46 I47 L54	Y4-A50 HydrophobicContact CD1-CB 3.52Å; Y4-A50 HydrophobicContact CE1-CB 4.37Å; Y4-A50 HydrophobicContact CG-CB 3.89Å; L7-A50 HydrophobicContact CD1-CB 4.48Å; L8-A50 HydrophobicContact CD1-CB 4.16Å; L8-A50 HydrophobicContact CD2-CB 4.44Å; L8-A50 HydrophobicContact CG-CB 4.04Å; E46-A50 WeakPolarHBondContact O-CB 3.35Å; E46-A50 PolarHBondContact O-N 3.16Å; I47-A50 PolarHBondContact O-N 3.25Å; A50-L54 VanDerWaalsContact O-CB 3.3Å; A50-L54 WeakPolarHBondContact O-CB 3.32Å; A50-L54 VanDerWaalsContact O-CG 3.29Å; A50-L54 WeakPolarHBondContact O-CG 3.45Å; A50-L54 PolarHBondContact O-N 3.01Å
51	Y	93.2	Very high	89.8	Confident	49 Å²	49	50.7 Å²	50.7	19%	0.192	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-45	176.7	-179.9	-109.6	0	0	0	112	L19 K20 Y23 I47 E49 V53 L54 S55	L19-Y51 HydrophobicContact CD2-CD2 4.48Å; L19-Y51 HydrophobicContact CG-CD2 4.17Å; L19-Y51 HydrophobicContact CG-CE2 4.3Å; K20-Y51 HydrophobicContact CB-CE2 4.46Å; Y23-Y51 VanDerWaalsContact CB-CD2 3.47Å; Y23-Y51 AromaticContact CD1-CD1 3.87Å; Y23-Y51 HydrophobicContact CD1-CD1 3.87Å; Y23-Y51 HydrophobicContact CD1-CD2 4.1Å; Y23-Y51 AromaticContact CD1-CE1 3.98Å; Y23-Y51 HydrophobicContact CD1-CE1 3.98Å; Y23-Y51 HydrophobicContact CD1-CE2 4.21Å; Y23-Y51 AromaticContact CD1-CG 3.93Å; Y23-Y51 HydrophobicContact CD1-CG 3.93Å; Y23-Y51 HydrophobicContact CD2-CD1 4.03Å; Y23-Y51 HydrophobicContact CD2-CD2 4.08Å; Y23-Y51 AromaticContact CD2-CG 3.55Å; Y23-Y51 HydrophobicContact CD2-CG 3.55Å; Y23-Y51 AromaticContact CE1-CD1 3.93Å; Y23-Y51 HydrophobicContact CE1-CD1 3.93Å; Y23-Y51 HydrophobicContact CE1-CE1 4.11Å; Y23-Y51 HydrophobicContact CE1-CG 4.36Å; Y23-Y51 HydrophobicContact CE2-CD1 4.08Å; Y23-Y51 HydrophobicContact CE2-CG 4.01Å; Y23-Y51 AromaticContact CG-CD1 3.91Å; Y23-Y51 HydrophobicContact CG-CD1 3.91Å; Y23-Y51 AromaticContact CG-CD2 3.61Å; Y23-Y51 HydrophobicContact CG-CD2 3.61Å; Y23-Y51 HydrophobicContact CG-CE1 4.38Å; Y23-Y51 HydrophobicContact CG-CE2 4.12Å; Y23-Y51 AromaticContact CG-CG 3.48Å; Y23-Y51 HydrophobicContact CG-CG 3.48Å; Y23-Y51 VanDerWaalsContact CG-CG 3.48Å; I47-Y51 PolarHBondContact O-N 2.95Å; E49-Y51 VanDerWaalsContact C-N 3.29Å; E49-Y51 PolarHBondContact O-N 3.27Å; Y51-V53 PolarHBondContact O-N 3.01Å; Y51-L54 PolarHBondContact O-N 3.13Å; Y51-S55 WeakPolarHBondContact O-CA 3.47Å; Y51-S55 WeakPolarHBondContact O-CB 3.4Å; Y51-S55 PolarHBondContact O-N 3.43Å; Y51-S55 PolarHBondContact O-OG 3.13Å
52	K	90.6	Very high	89.7	Confident	96 Å²	96	49.2 Å²	49.2	42%	0.417	25%	0.254	S	S	.	.	H	α-helix	trans	-57.3	-47.2	179.5	-175.1	175.8	179.5	176.4	0	111.8	Q48 E49 S55	Q48-K52 WeakPolarHBondContact O-CB 3.49Å; Q48-K52 PolarHBondContact O-N 2.77Å; E49-K52 PolarHBondContact O-N 3.13Å; E49-K52 VanDerWaalsContact O-N 3.15Å; K52-S55 PolarHBondContact O-OG 3.17Å
53	V	89.1	Confident	89.7	Confident	7 Å²	7	45.6 Å²	45.6	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-46	179.8	174.5	0	0	0	0	111.6	Y4 E49 Y51 S55 E59 R60 Y63	Y4-V53 HydrophobicContact CD2-CB 4.25Å; Y4-V53 HydrophobicContact CD2-CG1 4.08Å; Y4-V53 HydrophobicContact CE2-CB 3.98Å; Y4-V53 HydrophobicContact CE2-CG1 3.84Å; Y4-V53 HydrophobicContact CE2-CG2 4.02Å; E49-V53 PolarHBondContact O-N 3.24Å; Y51-V53 PolarHBondContact O-N 3.01Å; V53-S55 VanDerWaalsContact C-N 3.33Å; V53-S55 PolarHBondContact O-N 3.4Å; V53-E59 HydrophobicContact CG1-CB 4.15Å; V53-E59 CarbonylContact O-C 3.55Å; V53-E59 WeakPolarHBondContact O-CB 3.46Å; V53-R60 PolarHBondContact O-N 2.93Å; V53-R60 VanDerWaalsContact O-N 3.16Å; V53-Y63 HydrophobicContact CG1-CG 4.33Å
54	L	91.9	Very high	89.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-75.6	-21.7	-177.2	-67	176.8	0	0	0	113.4	Y5 L8 L19 A50 Y51 R60 Y63	Y5-L54 HydrophobicContact CD1-CD1 4.03Å; Y5-L54 HydrophobicContact CE1-CD1 3.99Å; Y5-L54 HydrophobicContact CE1-CD2 3.78Å; Y5-L54 HydrophobicContact CE2-CD2 4.07Å; L8-L54 HydrophobicContact CD1-CD1 3.83Å; L19-L54 HydrophobicContact CD1-CB 4.04Å; L19-L54 HydrophobicContact CD1-CD1 4.08Å; L19-L54 HydrophobicContact CD2-CB 3.7Å; L19-L54 WeakPolarHBondContact CD2-O 3.26Å; A50-L54 VanDerWaalsContact O-CB 3.3Å; A50-L54 WeakPolarHBondContact O-CB 3.32Å; A50-L54 VanDerWaalsContact O-CG 3.29Å; A50-L54 WeakPolarHBondContact O-CG 3.45Å; A50-L54 PolarHBondContact O-N 3.01Å; Y51-L54 PolarHBondContact O-N 3.13Å; L54-R60 HydrophobicContact CD2-CG 3.92Å; L54-R60 WeakPolarHBondContact O-CD 3.41Å; L54-Y63 HydrophobicContact CD2-CD1 4.06Å
55	S	92	Very high	89.5	Confident	33 Å²	33	53 Å²	53	23%	0.231	27%	0.266	C	S	.	.	H	α-helix	trans	-77	-27.3	-179.9	68.3	0	0	0	0	113.7	Q16 Y51 K52 V53	Q16-S55 PolarHBondContact NE2-O 3.38Å; Q16-S55 VanDerWaalsContact NE2-O 3.13Å; Y51-S55 WeakPolarHBondContact O-CA 3.47Å; Y51-S55 WeakPolarHBondContact O-CB 3.4Å; Y51-S55 PolarHBondContact O-N 3.43Å; Y51-S55 PolarHBondContact O-OG 3.13Å; K52-S55 PolarHBondContact O-OG 3.17Å; V53-S55 VanDerWaalsContact C-N 3.33Å; V53-S55 PolarHBondContact O-N 3.4Å
56	D	90.3	Very high	89	Confident	45 Å²	45	49.1 Å²	49.1	24%	0.241	25%	0.248	C	C	.	.	S	Bend	trans	-89.1	116.4	175.7	-177.8	-22.4	0	0	0	108.8	Q58 E59 R60 K241	D56-Q58 PolarHBondContact O-N 3.46Å; D56-Q58 VanDerWaalsContact O-N 3.1Å; D56-Q58 PolarHBondContact OD1-N 3.16Å; D56-E59 HydrophobicContact CB-CB 4.06Å; D56-E59 HydrophobicContact CB-CG 4.12Å; D56-E59 PolarHBondContact O-N 3.03Å; D56-E59 VanDerWaalsContact O-N 3.15Å; D56-R60 WeakPolarHBondContact O-CB 3.47Å; D56-R60 PolarHBondContact O-N 3.4Å; D56-K241 IonicContact OD2-NZ 3.05Å; D56-K241 PolarHBondContact OD2-NZ 3.47Å
57	P	91.1	Very high	88.6	Confident	103 Å²	103	49.1 Å²	49.1	67%	0.669	25%	0.245	S	C	*	.	H	α-helix	trans	-54.9	-32.6	-177.5	-27.2	35.1	0	0	0	114	A61	P57-A61 WeakPolarHBondContact O-CB 3.38Å; P57-A61 PolarHBondContact O-N 3.47Å; P57-A61 VanDerWaalsContact O-N 3.08Å
58	Q	86.8	Confident	87.8	Confident	158 Å²	158	52.6 Å²	52.6	74%	0.738	27%	0.274	S	S	*	.	H	α-helix	trans	-76	-44.1	180	-174.9	175	-13	0	0	111.5	D56 R60 W62	D56-Q58 PolarHBondContact O-N 3.46Å; D56-Q58 VanDerWaalsContact O-N 3.1Å; D56-Q58 PolarHBondContact OD1-N 3.16Å; Q58-R60 VanDerWaalsContact C-N 3.35Å; Q58-W62 WeakPolarHBondContact O-CB 3.14Å; Q58-W62 PolarHBondContact O-N 3.25Å; Q58-W62 VanDerWaalsContact O-N 3.13Å
59	E	86.9	Confident	86.9	Confident	28 Å²	28	53.7 Å²	53.7	13%	0.131	28%	0.279	C	S	.	.	H	α-helix	trans	-67.8	-36.5	176.5	-63.3	-170.1	-176.5	0	0	110.9	V53 D56 W62 Y63 K241 R242	V53-E59 HydrophobicContact CG1-CB 4.15Å; V53-E59 CarbonylContact O-C 3.55Å; V53-E59 WeakPolarHBondContact O-CB 3.46Å; D56-E59 HydrophobicContact CB-CB 4.06Å; D56-E59 HydrophobicContact CB-CG 4.12Å; D56-E59 PolarHBondContact O-N 3.03Å; D56-E59 VanDerWaalsContact O-N 3.15Å; E59-W62 PolarHBondContact O-N 3.03Å; E59-Y63 WeakPolarHBondContact O-CB 3.31Å; E59-Y63 PolarHBondContact O-N 3.24Å; E59-K241 IonicContact OE1-NZ 3.42Å; E59-K241 PolarHBondContact OE1-NZ 2.93Å; E59-R242 IonicContact OE1-NH1 3.66Å; E59-R242 IonicContact OE1-NH2 3.36Å; E59-R242 IonicContact OE2-NH2 2.87Å; E59-R242 PolarHBondContact OE2-NH2 2.95Å
60	R	90.7	Very high	86.3	Confident	37 Å²	37	53.4 Å²	53.4	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-52.4	174.4	-178.2	171.8	179.7	179.7	-3.3	112.4	Y5 Q12 V14 V53 L54 D56 Q58 W62 Y63 D64	Y5-R60 PolarHBondContact OH-NE 3.27Å; Y5-R60 VanDerWaalsContact OH-NE 3.14Å; Q12-R60 PolarHBondContact O-NH2 2.96Å; V14-R60 VanDerWaalsContact O-CZ 3.32Å; V14-R60 PolarHBondContact O-NH1 3.46Å; V14-R60 PolarHBondContact O-NH2 3.49Å; V53-R60 PolarHBondContact O-N 2.93Å; V53-R60 VanDerWaalsContact O-N 3.16Å; L54-R60 HydrophobicContact CD2-CG 3.92Å; L54-R60 WeakPolarHBondContact O-CD 3.41Å; D56-R60 WeakPolarHBondContact O-CB 3.47Å; D56-R60 PolarHBondContact O-N 3.4Å; Q58-R60 VanDerWaalsContact C-N 3.35Å; R60-W62 PolarHBondContact O-N 3Å; R60-Y63 PolarHBondContact O-N 3.41Å; R60-Y63 VanDerWaalsContact O-N 3.14Å; R60-D64 VanDerWaalsContact O-CG 3.24Å; R60-D64 PolarHBondContact O-N 3.49Å
61	A	89.8	Confident	85.6	Confident	61 Å²	61	55.8 Å²	55.8	50%	0.504	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-35	179.1	0	0	0	0	0	111.8	P57 K65	P57-A61 WeakPolarHBondContact O-CB 3.38Å; P57-A61 PolarHBondContact O-N 3.47Å; P57-A61 VanDerWaalsContact O-N 3.08Å; A61-K65 WeakPolarHBondContact O-CB 2.98Å; A61-K65 PolarHBondContact O-N 3.02Å
62	W	84.3	Confident	84.5	Confident	36 Å²	36	60.3 Å²	60.3	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-68.3	-45.8	175.1	-177.1	89.7	0	0	0	112.4	Q58 E59 R60 K65 H66 I70 F94 F97 Q234	Q58-W62 WeakPolarHBondContact O-CB 3.14Å; Q58-W62 PolarHBondContact O-N 3.25Å; Q58-W62 VanDerWaalsContact O-N 3.13Å; E59-W62 PolarHBondContact O-N 3.03Å; R60-W62 PolarHBondContact O-N 3Å; W62-K65 PolarHBondContact O-N 3.49Å; W62-H66 AromaticContact CD1-CE1 3.65Å; W62-H66 AromaticContact CD1-ND1 3.66Å; W62-H66 AromaticContact CD2-ND1 3.81Å; W62-H66 AromaticContact CE2-CE1 3.96Å; W62-H66 AromaticContact CE2-ND1 3.5Å; W62-H66 AromaticContact CG-ND1 3.9Å; W62-H66 AromaticContact NE1-CE1 3.39Å; W62-H66 PolarHBondContact NE1-CE1 3.24Å; W62-H66 AromaticContact NE1-ND1 3.38Å; W62-H66 PolarHBondContact NE1-ND1 2.88Å; W62-H66 PolarHBondContact O-N 3.32Å; W62-H66 PolarHBondContact O-ND1 3.39Å; W62-I70 HydrophobicContact CH2-CD1 3.93Å; W62-I70 HydrophobicContact CZ3-CD1 3.63Å; W62-F94 AromaticContact CH2-CD1 3.58Å; W62-F94 HydrophobicContact CH2-CD1 3.58Å; W62-F94 HydrophobicContact CH2-CE1 4.04Å; W62-F94 AromaticContact CZ2-CD1 3.46Å; W62-F94 HydrophobicContact CZ2-CD1 3.46Å; W62-F94 VanDerWaalsContact CZ2-CD1 3.46Å; W62-F94 AromaticContact CZ2-CE1 3.45Å; W62-F94 HydrophobicContact CZ2-CE1 3.45Å; W62-F94 VanDerWaalsContact CZ2-CE1 3.45Å; W62-F97 AromaticContact CE2-CE1 3.98Å; W62-F97 HydrophobicContact CE3-CD1 4.44Å; W62-F97 HydrophobicContact CH2-CB 3.58Å; W62-F97 AromaticContact CH2-CD1 3.34Å; W62-F97 HydrophobicContact CH2-CD1 3.34Å; W62-F97 AromaticContact CH2-CD2 3.42Å; W62-F97 HydrophobicContact CH2-CD2 3.42Å; W62-F97 VanDerWaalsContact CH2-CD2 3.42Å; W62-F97 AromaticContact CH2-CE1 3.71Å; W62-F97 HydrophobicContact CH2-CE1 3.71Å; W62-F97 AromaticContact CH2-CE2 3.75Å; W62-F97 HydrophobicContact CH2-CE2 3.75Å; W62-F97 AromaticContact CH2-CG 3.15Å; W62-F97 HydrophobicContact CH2-CG 3.15Å; W62-F97 AromaticContact CH2-CZ 3.87Å; W62-F97 HydrophobicContact CH2-CZ 3.87Å; W62-F97 AromaticContact CZ2-CD1 3.64Å; W62-F97 HydrophobicContact CZ2-CD1 3.64Å; W62-F97 AromaticContact CZ2-CD2 3.78Å; W62-F97 HydrophobicContact CZ2-CD2 3.78Å; W62-F97 AromaticContact CZ2-CE1 3.45Å; W62-F97 HydrophobicContact CZ2-CE1 3.45Å; W62-F97 VanDerWaalsContact CZ2-CE1 3.45Å; W62-F97 AromaticContact CZ2-CE2 3.58Å; W62-F97 HydrophobicContact CZ2-CE2 3.58Å; W62-F97 AromaticContact CZ2-CG 3.77Å; W62-F97 HydrophobicContact CZ2-CG 3.77Å; W62-F97 AromaticContact CZ2-CZ 3.39Å; W62-F97 HydrophobicContact CZ2-CZ 3.39Å; W62-F97 HydrophobicContact CZ3-CB 3.81Å; W62-F97 AromaticContact CZ3-CD1 3.78Å; W62-F97 HydrophobicContact CZ3-CD1 3.78Å; W62-F97 HydrophobicContact CZ3-CD2 4.44Å; W62-F97 HydrophobicContact CZ3-CE1 4.39Å; W62-F97 AromaticContact CZ3-CG 3.78Å; W62-F97 HydrophobicContact CZ3-CG 3.78Å; W62-Q234 VanDerWaalsContact NE1-CD 3.29Å
63	Y	87.1	Confident	82.9	Confident	1 Å²	1	57.2 Å²	57.2	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-45.9	176	175.8	-101.4	0	0	0	110.7	C3 Y4 Y5 V53 L54 E59 R60 K65 H66 R67 I70	C3-Y63 WeakPolarHBondContact CA-OH 3.42Å; C3-Y63 PolarHBondContact SG-OH 2.93Å; C3-Y63 VanDerWaalsContact SG-OH 3.4Å; Y4-Y63 HydrophobicContact CD2-CD1 4.01Å; Y4-Y63 AromaticContact CD2-CD2 3.45Å; Y4-Y63 HydrophobicContact CD2-CD2 3.45Å; Y4-Y63 VanDerWaalsContact CD2-CD2 3.45Å; Y4-Y63 AromaticContact CD2-CE1 3.77Å; Y4-Y63 HydrophobicContact CD2-CE1 3.77Å; Y4-Y63 AromaticContact CD2-CE2 3.18Å; Y4-Y63 HydrophobicContact CD2-CE2 3.18Å; Y4-Y63 AromaticContact CD2-CG 3.85Å; Y4-Y63 HydrophobicContact CD2-CG 3.85Å; Y4-Y63 AromaticContact CD2-CZ 3.35Å; Y4-Y63 AromaticContact CE2-CD2 3.46Å; Y4-Y63 HydrophobicContact CE2-CD2 3.46Å; Y4-Y63 VanDerWaalsContact CE2-CD2 3.46Å; Y4-Y63 AromaticContact CE2-CE2 3.38Å; Y4-Y63 HydrophobicContact CE2-CE2 3.38Å; Y4-Y63 HydrophobicContact CE2-CG 4.18Å; Y4-Y63 HydrophobicContact CG-CE1 4.32Å; Y4-Y63 HydrophobicContact CG-CE2 4.04Å; Y4-Y63 AromaticContact CG-CZ 3.86Å; Y4-Y63 PolarHBondContact N-OH 3.34Å; Y5-Y63 AromaticContact CD2-CE1 3.95Å; Y5-Y63 HydrophobicContact CD2-CE1 3.95Å; Y5-Y63 HydrophobicContact CE2-CD1 4.06Å; Y5-Y63 AromaticContact CE2-CE1 3.8Å; Y5-Y63 HydrophobicContact CE2-CE1 3.8Å; V53-Y63 HydrophobicContact CG1-CG 4.33Å; L54-Y63 HydrophobicContact CD2-CD1 4.06Å; E59-Y63 WeakPolarHBondContact O-CB 3.31Å; E59-Y63 PolarHBondContact O-N 3.24Å; R60-Y63 PolarHBondContact O-N 3.41Å; R60-Y63 VanDerWaalsContact O-N 3.14Å; Y63-K65 VanDerWaalsContact C-N 3.29Å; Y63-K65 PolarHBondContact O-N 3.09Å; Y63-H66 CarbonylContact O-C 3.49Å; Y63-H66 PolarHBondContact O-N 3.05Å; Y63-H66 VanDerWaalsContact O-N 3.16Å; Y63-R67 HydrophobicContact CE1-CB 4.44Å; Y63-R67 HydrophobicContact CE1-CG 4.14Å; Y63-R67 VanDerWaalsContact O-CA 3.26Å; Y63-R67 WeakPolarHBondContact O-CA 3.3Å; Y63-R67 VanDerWaalsContact O-CB 3.27Å; Y63-R67 WeakPolarHBondContact O-CB 3.22Å; Y63-R67 PolarHBondContact O-N 3.48Å; Y63-I70 HydrophobicContact CD2-CD1 3.89Å; Y63-I70 HydrophobicContact CE2-CD1 4.29Å
64	D	89	Confident	81.1	Confident	67 Å²	67	61.6 Å²	61.6	36%	0.358	33%	0.333	S	S	.	.	H	α-helix	trans	-59.7	-40.1	179.6	-68.2	-19.7	0	0	0	112.2	Y5 R60 H66	Y5-D64 WeakPolarHBondContact CE2-OD1 3.41Å; Y5-D64 VanDerWaalsContact CZ-OD1 3.25Å; Y5-D64 VanDerWaalsContact OH-CG 3.25Å; Y5-D64 PolarHBondContact OH-OD1 2.85Å; Y5-D64 PolarHBondContact OH-OD2 2.77Å; R60-D64 VanDerWaalsContact O-CG 3.24Å; R60-D64 PolarHBondContact O-N 3.49Å; D64-H66 PolarHBondContact O-N 3.37Å
65	K	85.3	Confident	78.8	Confident	155 Å²	155	64.2 Å²	64.2	67%	0.674	36%	0.359	S	S	*	.	H	α-helix	trans	-67.9	-33.2	178.4	-175.4	179.2	173.3	-169.6	0	113.4	A61 W62 Y63	A61-K65 WeakPolarHBondContact O-CB 2.98Å; A61-K65 PolarHBondContact O-N 3.02Å; W62-K65 PolarHBondContact O-N 3.49Å; Y63-K65 VanDerWaalsContact C-N 3.29Å; Y63-K65 PolarHBondContact O-N 3.09Å
66	H	77.1	Confident	76.3	Confident	16 Å²	16	73.5 Å²	73.5	7%	0.074	39%	0.389	C	S	.	.	H	α-helix	trans	-113.3	6.2	-174.2	-53.2	102.7	0	0	0	113.6	W62 Y63 D64 A68 Q69 I70 F94	W62-H66 AromaticContact CD1-CE1 3.65Å; W62-H66 AromaticContact CD1-ND1 3.66Å; W62-H66 AromaticContact CD2-ND1 3.81Å; W62-H66 AromaticContact CE2-CE1 3.96Å; W62-H66 AromaticContact CE2-ND1 3.5Å; W62-H66 AromaticContact CG-ND1 3.9Å; W62-H66 AromaticContact NE1-CE1 3.39Å; W62-H66 PolarHBondContact NE1-CE1 3.24Å; W62-H66 AromaticContact NE1-ND1 3.38Å; W62-H66 PolarHBondContact NE1-ND1 2.88Å; W62-H66 PolarHBondContact O-N 3.32Å; W62-H66 PolarHBondContact O-ND1 3.39Å; Y63-H66 CarbonylContact O-C 3.49Å; Y63-H66 PolarHBondContact O-N 3.05Å; Y63-H66 VanDerWaalsContact O-N 3.16Å; D64-H66 PolarHBondContact O-N 3.37Å; H66-A68 VanDerWaalsContact C-N 3.25Å; H66-A68 PolarHBondContact O-N 3.31Å; H66-A68 VanDerWaalsContact O-N 3.15Å; H66-Q69 PolarHBondContact CD2-OE1 3.46Å; H66-Q69 WeakPolarHBondContact O-CB 3.03Å; H66-Q69 PolarHBondContact O-N 3.42Å; H66-I70 HydrophobicContact CB-CD1 4.15Å; H66-I70 HydrophobicContact CB-CG1 4.48Å; H66-I70 WeakPolarHBondContact O-CG1 3.38Å; H66-I70 PolarHBondContact O-N 3.14Å; H66-F94 HydrophobicContact CB-CD1 3.86Å; H66-F94 HydrophobicContact CB-CE1 3.57Å; H66-F94 HydrophobicContact CB-CZ 4.28Å; H66-F94 AromaticContact CD2-CE1 3.31Å; H66-F94 WeakPolarHBondContact CD2-CE1 3.16Å; H66-F94 AromaticContact CD2-CZ 3.32Å; H66-F94 WeakPolarHBondContact CD2-CZ 3.43Å; H66-F94 AromaticContact CG-CE1 3.3Å; H66-F94 AromaticContact CG-CZ 3.83Å; H66-F94 AromaticContact ND1-CE1 3.87Å; H66-F94 AromaticContact NE2-CE1 3.91Å; H66-F94 AromaticContact NE2-CZ 3.87Å
67	R	80.9	Confident	73.7	Confident	56 Å²	56	74 Å²	74	21%	0.211	41%	0.406	C	S	.	.	H	α-helix	trans	-49.9	-45.7	-175.9	178.4	-177.9	177.4	-81.7	-2	112.1	C3 E6 Y63 Q69 I70 L71	C3-R67 VanDerWaalsContact CB-NH2 3.34Å; C3-R67 PolarHBondContact SG-NE 3.15Å; C3-R67 PolarHBondContact SG-NH2 3.45Å; E6-R67 IonicContact OE1-NH2 3.49Å; E6-R67 PolarHBondContact OE1-NH2 2.95Å; E6-R67 VanDerWaalsContact OE1-NH2 3.12Å; Y63-R67 HydrophobicContact CE1-CB 4.44Å; Y63-R67 HydrophobicContact CE1-CG 4.14Å; Y63-R67 VanDerWaalsContact O-CA 3.26Å; Y63-R67 WeakPolarHBondContact O-CA 3.3Å; Y63-R67 VanDerWaalsContact O-CB 3.27Å; Y63-R67 WeakPolarHBondContact O-CB 3.22Å; Y63-R67 PolarHBondContact O-N 3.48Å; R67-Q69 VanDerWaalsContact C-N 3.34Å; R67-Q69 PolarHBondContact O-N 3.17Å; R67-I70 PolarHBondContact O-N 2.92Å; R67-L71 HydrophobicContact CG-CD1 3.66Å; R67-L71 HydrophobicContact CG-CG 4.31Å; R67-L71 VanDerWaalsContact CZ-CD1 3.44Å; R67-L71 WeakPolarHBondContact O-CB 3.44Å; R67-L71 VanDerWaalsContact O-CG 3.24Å; R67-L71 WeakPolarHBondContact O-CG 3.38Å; R67-L71 PolarHBondContact O-N 3.08Å
68	A	77	Confident	70.9	Confident	75 Å²	75	75.6 Å²	75.6	62%	0.62	41%	0.413	S	S	*	.	H	α-helix	trans	-62.1	-40.4	-179.3	0	0	0	0	0	112.4	H66 Q72	H66-A68 VanDerWaalsContact C-N 3.25Å; H66-A68 PolarHBondContact O-N 3.31Å; H66-A68 VanDerWaalsContact O-N 3.15Å; A68-Q72 WeakPolarHBondContact O-CB 3.38Å; A68-Q72 PolarHBondContact O-N 3.29Å; A68-Q72 VanDerWaalsContact O-N 3.08Å
69	Q	72.7	Confident	68.4	Low	87 Å²	87	76.9 Å²	76.9	41%	0.407	42%	0.42	S	S	.	.	H	α-helix	trans	-70.7	-43.9	179.7	-67	174.5	-36.1	0	0	111.1	H66 R67 L71 Q72 F94	H66-Q69 PolarHBondContact CD2-OE1 3.46Å; H66-Q69 WeakPolarHBondContact O-CB 3.03Å; H66-Q69 PolarHBondContact O-N 3.42Å; R67-Q69 VanDerWaalsContact C-N 3.34Å; R67-Q69 PolarHBondContact O-N 3.17Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 3.08Å; Q69-Q72 PolarHBondContact O-N 3.08Å; Q69-F94 HydrophobicContact CB-CD2 4.34Å; Q69-F94 VanDerWaalsContact OE1-CE2 3.3Å
70	I	75.2	Confident	65.8	Low	12 Å²	12	84.5 Å²	84.5	6%	0.062	46%	0.457	C	S	.	.	H	α-helix	trans	-61.4	-43.2	177.9	-65.9	165.2	0	0	0	111.2	M1 W62 Y63 H66 R67 G73 F94	M1-I70 HydrophobicContact CE-CG2 3.75Å; M1-I70 HydrophobicContact SD-CG2 3.21Å; M1-I70 WeakPolarHBondContact SD-CG2 3.47Å; W62-I70 HydrophobicContact CH2-CD1 3.93Å; W62-I70 HydrophobicContact CZ3-CD1 3.63Å; Y63-I70 HydrophobicContact CD2-CD1 3.89Å; Y63-I70 HydrophobicContact CE2-CD1 4.29Å; H66-I70 HydrophobicContact CB-CD1 4.15Å; H66-I70 HydrophobicContact CB-CG1 4.48Å; H66-I70 WeakPolarHBondContact O-CG1 3.38Å; H66-I70 PolarHBondContact O-N 3.14Å; R67-I70 PolarHBondContact O-N 2.92Å; I70-G73 PolarHBondContact O-N 3.16Å; I70-F94 HydrophobicContact CG1-CB 3.91Å; I70-F94 HydrophobicContact CG1-CD1 4.31Å; I70-F94 HydrophobicContact CG1-CG 4.46Å
71	L	75.6	Confident	62.9	Low	50 Å²	50	85.8 Å²	85.8	26%	0.262	48%	0.482	S	S	.	.	H	α-helix	trans	-74.1	-30.3	-178.7	-70.2	174.9	0	0	0	113.6	C3 R67 Q69 G73	C3-L71 HydrophobicContact CB-CD1 3.97Å; C3-L71 HydrophobicContact CB-CD2 4.05Å; R67-L71 HydrophobicContact CG-CD1 3.66Å; R67-L71 HydrophobicContact CG-CG 4.31Å; R67-L71 VanDerWaalsContact CZ-CD1 3.44Å; R67-L71 WeakPolarHBondContact O-CB 3.44Å; R67-L71 VanDerWaalsContact O-CG 3.24Å; R67-L71 WeakPolarHBondContact O-CG 3.38Å; R67-L71 PolarHBondContact O-N 3.08Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 3.08Å; L71-G73 PolarHBondContact O-N 3.33Å
72	Q	70.3	Confident	60.1	Low	143 Å²	143	91.5 Å²	91.5	67%	0.668	50%	0.498	S	S	*	.	H	α-helix	trans	-63.4	-27	177.2	-168.8	165	11.9	0	0	111.4	A68 Q69	A68-Q72 WeakPolarHBondContact O-CB 3.38Å; A68-Q72 PolarHBondContact O-N 3.29Å; A68-Q72 VanDerWaalsContact O-N 3.08Å; Q69-Q72 PolarHBondContact O-N 3.08Å
73	G	57	Low	57.8	Low	32 Å²	32	95.6 Å²	95.6	33%	0.33	53%	0.527	S	S	.	.			trans	58.5	-176.6	-178.6	0	0	0	0	0	112.1	I70 L71 G75	I70-G73 PolarHBondContact O-N 3.16Å; L71-G73 PolarHBondContact O-N 3.33Å; G73-G75 PolarHBondContact O-N 2.87Å
74	N	52.9	Low	55.3	Low	99 Å²	99	101.5 Å²	101.5	53%	0.529	57%	0.569	S	S	.	*	S	Bend	trans	-65.6	41.6	179.6	-93.9	33.3	0	0	0	115	R76 Q95	N74-R76 PolarHBondContact O-N 3.2Å; N74-Q95 PolarHBondContact ND2-OE1 3.29Å; N74-Q95 VanDerWaalsContact OD1-CD 3.27Å; N74-Q95 PolarHBondContact OD1-OE1 3.17Å
75	G	42.2	Very low	53.2	Low	54 Å²	54	104.7 Å²	104.7	56%	0.557	59%	0.586	S	S	*	*			trans	-64.6	72.2	170.3	0	0	0	0	0	111.8	G73 G77	G73-G75 PolarHBondContact O-N 2.87Å; G75-G77 VanDerWaalsContact C-N 3.26Å; G75-G77 PolarHBondContact O-N 3.4Å
76	R	40.3	Very low	51.2	Low	228 Å²	228	107 Å²	107	86%	0.86	59%	0.592	S	S	*	*			trans	-58	95.2	153.2	-79.6	-175.7	168.9	-169	-3.2	107	N74	N74-R76 PolarHBondContact O-N 3.2Å
77	G	35.5	Very low	49.9	Very low	57 Å²	57	114.9 Å²	114.9	59%	0.588	63%	0.629	S	S	*	*	S	Bend	trans	113.2	139.7	167.7	0	0	0	0	0	114.5	G75	G75-G77 VanDerWaalsContact C-N 3.26Å; G75-G77 PolarHBondContact O-N 3.4Å
78	T	32.1	Very low	48.7	Very low	135 Å²	135	115.2 Å²	115.2	83%	0.828	63%	0.633	S	S	*	*			trans	95.6	53.1	167	-15.8	0	0	0	0	117.2
79	Q	34.9	Very low	47.9	Very low	186 Å²	186	116.3 Å²	116.3	87%	0.869	64%	0.636	S	S	*	*				-116.1	86.9	128.4	-98.9	-173.6	12.8	0	0	108.7	G81	Q79-G81 PolarHBondContact O-N 2.73Å
80	M	31.1	Very low	48	Very low	188 Å²	188	116.3 Å²	116.3	93%	0.926	63%	0.632	S	S	*	*			trans	-62	111.5	152.2	-89.7	-77.6	-161.4	0	0	107
81	G	31.4	Very low	48.2	Very low	63 Å²	63	117 Å²	117	65%	0.649	64%	0.637	S	S	*	*			trans	157.3	95.5	175.3	0	0	0	0	0	113.2	Q79	Q79-G81 PolarHBondContact O-N 2.73Å
82	E	31.2	Very low	48.4	Very low	182 Å²	182	116.7 Å²	116.7	85%	0.85	64%	0.635	S	S	*	*	S	Bend	trans	83.9	95.9	150.5	-144	152.2	-158.2	0	0	117.7
83	T	35.2	Very low	49.1	Very low	122 Å²	122	110 Å²	110	75%	0.748	60%	0.604	S	S	*	*			trans	80	130.3	160.8	69.9	0	0	0	0	117.8	D85	T83-D85 PolarHBondContact O-N 3.3Å
84	S	33.7	Very low	50.2	Low	125 Å²	125	108.7 Å²	108.7	87%	0.874	59%	0.589	S	S	*	*			trans	-66.8	80.5	-169.4	167.2	0	0	0	0	113.3
85	D	45.7	Very low	51.5	Low	134 Å²	134	106.7 Å²	106.7	72%	0.717	58%	0.577	S	S	*	*			trans	-97.8	114	169.7	-78.6	-8.6	0	0	0	110.3	T83 Q87	T83-D85 PolarHBondContact O-N 3.3Å; D85-Q87 PolarHBondContact O-N 2.87Å
86	Y	42.7	Very low	53.5	Low	202 Å²	202	105.8 Å²	105.8	79%	0.792	56%	0.557	S	S	*	*			trans	-59.7	102.1	177.3	-151.8	-92.5	0	0	0	109.9	E88	Y86-E88 PolarHBondContact O-N 2.85Å
87	Q	50.7	Low	55.5	Low	183 Å²	183	95.5 Å²	95.5	86%	0.855	52%	0.518	S	S	*	.			trans	-87.8	101.4	175.8	-67.4	-170.3	-7	0	0	109.5	D85 S89	D85-Q87 PolarHBondContact O-N 2.87Å; Q87-S89 PolarHBondContact O-N 2.85Å
88	E	55.5	Low	57.6	Low	63 Å²	63	93.1 Å²	93.1	29%	0.294	49%	0.492	S	S	.	.			trans	-57	134.2	176.7	-166.7	-175.8	-156.9	0	0	110.5	Y86 R90 K191 W195	Y86-E88 PolarHBondContact O-N 2.85Å; E88-R90 PolarHBondContact O-N 2.76Å; E88-K191 WeakPolarHBondContact OE1-CE 3.44Å; E88-K191 IonicContact OE1-NZ 2.76Å; E88-K191 PolarHBondContact OE1-NZ 3.21Å; E88-K191 IonicContact OE2-NZ 3.41Å; E88-K191 PolarHBondContact OE2-NZ 2.89Å; E88-W195 VanDerWaalsContact CD-CZ2 3.41Å; E88-W195 WeakPolarHBondContact OE1-CH2 3.38Å; E88-W195 WeakPolarHBondContact OE2-CZ2 3.38Å
89	S	60.6	Low	59.8	Low	98 Å²	98	91.6 Å²	91.6	69%	0.685	47%	0.472	S	S	*	.			trans	-63.6	85.2	171.6	174.4	0	0	0	0	109.5	Q87	Q87-S89 PolarHBondContact O-N 2.85Å
90	R	74.1	Confident	61.9	Low	87 Å²	87	87 Å²	87	33%	0.328	46%	0.46	S	S	.	.			trans	-95.9	135.6	179	-176.4	-173.9	-175.7	-174.1	6.3	108.7	E88 D92 R228 E231	E88-R90 PolarHBondContact O-N 2.76Å; R90-D92 PolarHBondContact O-N 3.15Å; R90-R228 VanDerWaalsContact NE-CD 3.34Å; R90-E231 IonicContact CZ-OE1 2.76Å; R90-E231 IonicContact CZ-OE2 3.15Å; R90-E231 IonicContact NE-OE2 3.97Å; R90-E231 IonicContact NH1-OE1 3.91Å; R90-E231 PolarHBondContact NH1-OE1 3.14Å; R90-E231 VanDerWaalsContact NH1-OE1 3.15Å; R90-E231 IonicContact NH1-OE2 3.92Å; R90-E231 PolarHBondContact NH1-OE2 3.48Å; R90-E231 IonicContact NH2-OE1 3.12Å; R90-E231 PolarHBondContact NH2-OE1 2.56Å; R90-E231 IonicContact NH2-OE2 3.58Å; R90-E231 PolarHBondContact NH2-OE2 3.06Å
91	V	78.6	Confident	64.3	Low	26 Å²	26	79.3 Å²	79.3	16%	0.158	42%	0.424	C	S	.	.			trans	-60.4	113	167	178.2	0	0	0	0	107.7	V93 Y96 D122 I123 E126 R228	V91-V93 WeakPolarHBondContact O-CG2 3.33Å; V91-V93 PolarHBondContact O-N 2.98Å; V91-V93 VanDerWaalsContact O-N 3.11Å; V91-Y96 HydrophobicContact CG1-CE2 4.33Å; V91-D122 HydrophobicContact CG2-CB 3.81Å; V91-I123 HydrophobicContact CB-CG1 4.24Å; V91-I123 HydrophobicContact CG1-CG1 4.21Å; V91-E126 WeakPolarHBondContact CG2-OE2 3.46Å; V91-E126 PolarHBondContact N-OE2 3.08Å; V91-R228 PolarHBondContact O-NH1 3.03Å
92	D	81.2	Confident	66.9	Low	44 Å²	44	77 Å²	77	24%	0.235	40%	0.396	C	S	.	.			trans	-67.2	109	171	-174	6	0	0	0	108	R90 F94 Q95 Y96	R90-D92 PolarHBondContact O-N 3.15Å; D92-F94 VanDerWaalsContact C-N 3.32Å; D92-F94 VanDerWaalsContact OD1-CB 3.31Å; D92-F94 WeakPolarHBondContact OD1-CB 3.42Å; D92-F94 VanDerWaalsContact OD1-CD2 3.27Å; D92-F94 WeakPolarHBondContact OD1-CD2 3.42Å; D92-F94 PolarHBondContact OD1-N 3.32Å; D92-Q95 WeakPolarHBondContact O-CG 3.29Å; D92-Q95 PolarHBondContact O-NE2 2.94Å; D92-Y96 WeakPolarHBondContact O-CD2 3.29Å; D92-Y96 WeakPolarHBondContact O-CE2 3.2Å
93	V	84	Confident	69.4	Low	1 Å²	1	74.6 Å²	74.6	1%	0.006	39%	0.385	C	S	.	.			trans	-80.2	-24.8	-177.5	-165.3	0	0	0	0	109.7	V91 Q95 Y96 F97 I123 I232 L235	V91-V93 WeakPolarHBondContact O-CG2 3.33Å; V91-V93 PolarHBondContact O-N 2.98Å; V91-V93 VanDerWaalsContact O-N 3.11Å; V93-Q95 VanDerWaalsContact C-N 3.34Å; V93-Q95 PolarHBondContact O-N 3.36Å; V93-Y96 PolarHBondContact O-N 3.34Å; V93-Y96 VanDerWaalsContact O-N 3.08Å; V93-F97 HydrophobicContact CB-CE2 4.36Å; V93-F97 HydrophobicContact CG1-CE2 3.83Å; V93-F97 VanDerWaalsContact O-CD2 3.22Å; V93-F97 WeakPolarHBondContact O-CD2 3.39Å; V93-F97 WeakPolarHBondContact O-CE2 3.46Å; V93-I123 HydrophobicContact CG2-CD1 4.5Å; V93-I232 HydrophobicContact CG2-CG1 4.44Å; V93-L235 HydrophobicContact CG1-CB 3.48Å; V93-L235 VanDerWaalsContact CG1-CB 3.48Å; V93-L235 HydrophobicContact CG1-CD1 4.01Å; V93-L235 HydrophobicContact CG1-CD2 3.3Å; V93-L235 HydrophobicContact CG1-CG 3.73Å
94	F	80	Confident	71.8	Confident	5 Å²	5	75 Å²	75	2%	0.022	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-66.8	-33.2	-169.6	-68.3	-72.8	0	0	0	113	W62 H66 Q69 I70 D92 Y96 F97 E231	W62-F94 AromaticContact CH2-CD1 3.58Å; W62-F94 HydrophobicContact CH2-CD1 3.58Å; W62-F94 HydrophobicContact CH2-CE1 4.04Å; W62-F94 AromaticContact CZ2-CD1 3.46Å; W62-F94 HydrophobicContact CZ2-CD1 3.46Å; W62-F94 VanDerWaalsContact CZ2-CD1 3.46Å; W62-F94 AromaticContact CZ2-CE1 3.45Å; W62-F94 HydrophobicContact CZ2-CE1 3.45Å; W62-F94 VanDerWaalsContact CZ2-CE1 3.45Å; H66-F94 HydrophobicContact CB-CD1 3.86Å; H66-F94 HydrophobicContact CB-CE1 3.57Å; H66-F94 HydrophobicContact CB-CZ 4.28Å; H66-F94 AromaticContact CD2-CE1 3.31Å; H66-F94 WeakPolarHBondContact CD2-CE1 3.16Å; H66-F94 AromaticContact CD2-CZ 3.32Å; H66-F94 WeakPolarHBondContact CD2-CZ 3.43Å; H66-F94 AromaticContact CG-CE1 3.3Å; H66-F94 AromaticContact CG-CZ 3.83Å; H66-F94 AromaticContact ND1-CE1 3.87Å; H66-F94 AromaticContact NE2-CE1 3.91Å; H66-F94 AromaticContact NE2-CZ 3.87Å; Q69-F94 HydrophobicContact CB-CD2 4.34Å; Q69-F94 VanDerWaalsContact OE1-CE2 3.3Å; I70-F94 HydrophobicContact CG1-CB 3.91Å; I70-F94 HydrophobicContact CG1-CD1 4.31Å; I70-F94 HydrophobicContact CG1-CG 4.46Å; D92-F94 VanDerWaalsContact C-N 3.32Å; D92-F94 VanDerWaalsContact OD1-CB 3.31Å; D92-F94 WeakPolarHBondContact OD1-CB 3.42Å; D92-F94 VanDerWaalsContact OD1-CD2 3.27Å; D92-F94 WeakPolarHBondContact OD1-CD2 3.42Å; D92-F94 PolarHBondContact OD1-N 3.32Å; F94-Y96 PolarHBondContact O-N 3.29Å; F94-Y96 VanDerWaalsContact O-N 3.15Å; F94-F97 HydrophobicContact CD1-CE2 4.47Å; F94-F97 PolarHBondContact O-N 3.12Å; F94-F97 VanDerWaalsContact O-N 3.17Å; F94-E231 HydrophobicContact CE1-CG 4.35Å; F94-E231 HydrophobicContact CE2-CG 4.17Å; F94-E231 VanDerWaalsContact CE2-OE2 3.3Å; F94-E231 WeakPolarHBondContact CE2-OE2 3.41Å; F94-E231 VanDerWaalsContact CZ-CD 3.47Å; F94-E231 HydrophobicContact CZ-CG 3.57Å
95	Q	81.6	Confident	74.4	Confident	57 Å²	57	73.7 Å²	73.7	27%	0.266	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-61.6	-19.6	174.5	61.1	172.8	-6.1	0	0	113.8	N74 D92 V93 T98	N74-Q95 PolarHBondContact ND2-OE1 3.29Å; N74-Q95 VanDerWaalsContact OD1-CD 3.27Å; N74-Q95 PolarHBondContact OD1-OE1 3.17Å; D92-Q95 WeakPolarHBondContact O-CG 3.29Å; D92-Q95 PolarHBondContact O-NE2 2.94Å; V93-Q95 VanDerWaalsContact C-N 3.34Å; V93-Q95 PolarHBondContact O-N 3.36Å; Q95-T98 PolarHBondContact O-OG1 3.02Å
96	Y	84.1	Confident	76.5	Confident	35 Å²	35	69.1 Å²	69.1	14%	0.137	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-95.1	3.4	-179.4	-56.5	-72.3	0	0	0	113.4	V91 D92 V93 F94 C101 V115 Y116 V119	V91-Y96 HydrophobicContact CG1-CE2 4.33Å; D92-Y96 WeakPolarHBondContact O-CD2 3.29Å; D92-Y96 WeakPolarHBondContact O-CE2 3.2Å; V93-Y96 PolarHBondContact O-N 3.34Å; V93-Y96 VanDerWaalsContact O-N 3.08Å; F94-Y96 PolarHBondContact O-N 3.29Å; F94-Y96 VanDerWaalsContact O-N 3.15Å; Y96-C101 HydrophobicContact CD1-CB 4.23Å; Y96-V115 HydrophobicContact CD1-CG1 4.14Å; Y96-V115 HydrophobicContact CE1-CG1 4.2Å; Y96-Y116 PolarHBondContact O-OH 3.33Å; Y96-V119 HydrophobicContact CD1-CG2 3.42Å; Y96-V119 VanDerWaalsContact CD1-CG2 3.42Å; Y96-V119 HydrophobicContact CD2-CB 4.39Å; Y96-V119 HydrophobicContact CD2-CG1 3.76Å; Y96-V119 HydrophobicContact CD2-CG2 3.63Å; Y96-V119 HydrophobicContact CE1-CG2 3.24Å; Y96-V119 HydrophobicContact CE2-CB 4.27Å; Y96-V119 HydrophobicContact CE2-CG1 3.83Å; Y96-V119 HydrophobicContact CE2-CG2 3.44Å; Y96-V119 VanDerWaalsContact CE2-CG2 3.44Å; Y96-V119 HydrophobicContact CG-CG1 4.32Å; Y96-V119 HydrophobicContact CG-CG2 3.6Å
97	F	82.4	Confident	78.7	Confident	12 Å²	12	62.6 Å²	62.6	5%	0.053	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-85.6	3.7	172.7	-73.9	-100.3	0	0	0	113	W62 V93 F94 Q234 L235 Y238	W62-F97 AromaticContact CE2-CE1 3.98Å; W62-F97 HydrophobicContact CE3-CD1 4.44Å; W62-F97 HydrophobicContact CH2-CB 3.58Å; W62-F97 AromaticContact CH2-CD1 3.34Å; W62-F97 HydrophobicContact CH2-CD1 3.34Å; W62-F97 AromaticContact CH2-CD2 3.42Å; W62-F97 HydrophobicContact CH2-CD2 3.42Å; W62-F97 VanDerWaalsContact CH2-CD2 3.42Å; W62-F97 AromaticContact CH2-CE1 3.71Å; W62-F97 HydrophobicContact CH2-CE1 3.71Å; W62-F97 AromaticContact CH2-CE2 3.75Å; W62-F97 HydrophobicContact CH2-CE2 3.75Å; W62-F97 AromaticContact CH2-CG 3.15Å; W62-F97 HydrophobicContact CH2-CG 3.15Å; W62-F97 AromaticContact CH2-CZ 3.87Å; W62-F97 HydrophobicContact CH2-CZ 3.87Å; W62-F97 AromaticContact CZ2-CD1 3.64Å; W62-F97 HydrophobicContact CZ2-CD1 3.64Å; W62-F97 AromaticContact CZ2-CD2 3.78Å; W62-F97 HydrophobicContact CZ2-CD2 3.78Å; W62-F97 AromaticContact CZ2-CE1 3.45Å; W62-F97 HydrophobicContact CZ2-CE1 3.45Å; W62-F97 VanDerWaalsContact CZ2-CE1 3.45Å; W62-F97 AromaticContact CZ2-CE2 3.58Å; W62-F97 HydrophobicContact CZ2-CE2 3.58Å; W62-F97 AromaticContact CZ2-CG 3.77Å; W62-F97 HydrophobicContact CZ2-CG 3.77Å; W62-F97 AromaticContact CZ2-CZ 3.39Å; W62-F97 HydrophobicContact CZ2-CZ 3.39Å; W62-F97 HydrophobicContact CZ3-CB 3.81Å; W62-F97 AromaticContact CZ3-CD1 3.78Å; W62-F97 HydrophobicContact CZ3-CD1 3.78Å; W62-F97 HydrophobicContact CZ3-CD2 4.44Å; W62-F97 HydrophobicContact CZ3-CE1 4.39Å; W62-F97 AromaticContact CZ3-CG 3.78Å; W62-F97 HydrophobicContact CZ3-CG 3.78Å; V93-F97 HydrophobicContact CB-CE2 4.36Å; V93-F97 HydrophobicContact CG1-CE2 3.83Å; V93-F97 VanDerWaalsContact O-CD2 3.22Å; V93-F97 WeakPolarHBondContact O-CD2 3.39Å; V93-F97 WeakPolarHBondContact O-CE2 3.46Å; F94-F97 HydrophobicContact CD1-CE2 4.47Å; F94-F97 PolarHBondContact O-N 3.12Å; F94-F97 VanDerWaalsContact O-N 3.17Å; F97-Q234 HydrophobicContact CE1-CB 4.13Å; F97-Q234 HydrophobicContact CZ-CB 4.06Å; F97-L235 HydrophobicContact CD2-CD1 4.2Å; F97-L235 HydrophobicContact CE1-CB 4.41Å; F97-L235 HydrophobicContact CE2-CB 3.98Å; F97-L235 HydrophobicContact CE2-CD1 4.01Å; F97-L235 HydrophobicContact CZ-CB 3.69Å; F97-L235 HydrophobicContact CZ-CD1 4.27Å; F97-Y238 HydrophobicContact CD1-CD1 4.48Å; F97-Y238 AromaticContact CD1-CD2 3.89Å; F97-Y238 HydrophobicContact CD1-CD2 3.89Å; F97-Y238 AromaticContact CD1-CG 3.85Å; F97-Y238 HydrophobicContact CD1-CG 3.85Å; F97-Y238 HydrophobicContact CE1-CG 4.4Å; F97-Y238 VanDerWaalsContact O-CE2 3.22Å; F97-Y238 WeakPolarHBondContact O-CE2 3.08Å; F97-Y238 PolarHBondContact O-OH 2.78Å
98	T	79.9	Confident	80.6	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.043	30%	0.295	C	S	.	.	S	Bend	trans	-100.7	148.1	178.7	66	0	0	0	0	111.2	M1 E49 Q95 S100 C101	M1-T98 HydrophobicContact CE-CG2 3.26Å; M1-T98 HydrophobicContact SD-CG2 3.46Å; M1-T98 WeakPolarHBondContact SD-CG2 3.45Å; E49-T98 WeakPolarHBondContact OE1-CA 3.44Å; E49-T98 WeakPolarHBondContact OE1-CB 3.48Å; Q95-T98 PolarHBondContact O-OG1 3.02Å; T98-S100 WeakPolarHBondContact CB-OG 3.45Å; T98-S100 PolarHBondContact O-N 3.46Å; T98-S100 PolarHBondContact OG1-OG 2.91Å; T98-C101 PolarHBondContact O-N 3.06Å; T98-C101 PolarHBondContact O-SG 3.08Å
99	R	77.1	Confident	82.1	Confident	104 Å²	104	63.8 Å²	63.8	39%	0.392	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-66.8	-29.2	173.3	-169.6	179.2	177.8	176.2	-2.6	110.8	E49 C101 F102	E49-R99 HydrophobicContact CG-CB 4.1Å; E49-R99 PolarHBondContact OE1-N 2.8Å; E49-R99 VanDerWaalsContact OE2-CB 3.28Å; E49-R99 WeakPolarHBondContact OE2-CB 3.35Å; E49-R99 PolarHBondContact OE2-N 3.34Å; R99-C101 PolarHBondContact O-N 3.45Å; R99-F102 HydrophobicContact CG-CZ 4.22Å; R99-F102 PolarHBondContact O-N 3.13Å
100	S	78.3	Confident	83.4	Confident	89 Å²	89	65 Å²	65	62%	0.622	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-60.4	-11	177.2	60.1	0	0	0	0	115.2	T98 F102	T98-S100 WeakPolarHBondContact CB-OG 3.45Å; T98-S100 PolarHBondContact O-N 3.46Å; T98-S100 PolarHBondContact OG1-OG 2.91Å; S100-F102 VanDerWaalsContact C-N 3.28Å; S100-F102 PolarHBondContact O-N 2.85Å
101	C	82.3	Confident	84.2	Confident	27 Å²	27	60.9 Å²	60.9	18%	0.182	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-74.2	-16.8	176.1	73.7	0	0	0	0	113.7	Y96 T98 R99 V115 Y116	Y96-C101 HydrophobicContact CD1-CB 4.23Å; T98-C101 PolarHBondContact O-N 3.06Å; T98-C101 PolarHBondContact O-SG 3.08Å; R99-C101 PolarHBondContact O-N 3.45Å; C101-V115 HydrophobicContact CB-CG1 4.45Å; C101-V115 WeakPolarHBondContact O-CG2 3.35Å; C101-Y116 PolarHBondContact SG-OH 3.31Å; C101-Y116 VanDerWaalsContact SG-OH 3.38Å
102	F	86.1	Confident	84.8	Confident	13 Å²	13	59.7 Å²	59.7	6%	0.057	29%	0.293	C	S	.	.			trans	-139.6	147.6	174.7	66.4	-86.5	0	0	0	111.2	R99 S100 F105 K110 F112 Y116	R99-F102 HydrophobicContact CG-CZ 4.22Å; R99-F102 PolarHBondContact O-N 3.13Å; S100-F102 VanDerWaalsContact C-N 3.28Å; S100-F102 PolarHBondContact O-N 2.85Å; F102-F105 HydrophobicContact CE2-CD1 4.4Å; F102-F105 HydrophobicContact CE2-CD2 4.49Å; F102-F105 AromaticContact CE2-CE1 3.93Å; F102-F105 HydrophobicContact CE2-CE1 3.93Å; F102-F105 HydrophobicContact CE2-CE2 4.03Å; F102-F105 AromaticContact CE2-CZ 3.74Å; F102-F105 HydrophobicContact CE2-CZ 3.74Å; F102-F105 HydrophobicContact CZ-CE1 4.2Å; F102-F105 AromaticContact CZ-CZ 3.99Å; F102-F105 HydrophobicContact CZ-CZ 3.99Å; F102-K110 WeakPolarHBondContact CA-O 3.45Å; F102-F112 HydrophobicContact CB-CB 4.44Å; F102-F112 AromaticContact CD1-CD2 3.85Å; F102-F112 HydrophobicContact CD1-CD2 3.85Å; F102-F112 HydrophobicContact CD2-CB 3.86Å; F102-F112 AromaticContact CD2-CD2 3.99Å; F102-F112 HydrophobicContact CD2-CD2 3.99Å; F102-F112 HydrophobicContact CD2-CG 4.44Å; F102-F112 AromaticContact CE1-CD2 3.68Å; F102-F112 HydrophobicContact CE1-CD2 3.68Å; F102-F112 HydrophobicContact CE1-CE2 4.14Å; F102-F112 HydrophobicContact CE2-CB 4.3Å; F102-F112 AromaticContact CE2-CD2 3.8Å; F102-F112 HydrophobicContact CE2-CD2 3.8Å; F102-F112 HydrophobicContact CG-CB 4.1Å; F102-F112 HydrophobicContact CG-CD2 4.02Å; F102-F112 AromaticContact CZ-CD2 3.66Å; F102-F112 HydrophobicContact CZ-CD2 3.66Å; F102-F112 HydrophobicContact CZ-CE2 4.2Å; F102-Y116 AromaticContact CD1-CE2 3.89Å; F102-Y116 HydrophobicContact CD1-CE2 3.89Å; F102-Y116 HydrophobicContact CE1-CE2 4.12Å
103	E	83.6	Confident	85.4	Confident	132 Å²	132	58 Å²	58	62%	0.617	28%	0.283	S	S	*	.	S	Bend	trans	-90.6	-45.4	-178.5	-68.1	175.6	-169.7	0	0	111.1	K110	E103-K110 HydrophobicContact CG-CB 4.41Å; E103-K110 HydrophobicContact CG-CD 4.35Å; E103-K110 PolarHBondContact N-O 2.85Å; E103-K110 WeakPolarHBondContact OE1-CD 3.42Å; E103-K110 IonicContact OE1-NZ 3.92Å; E103-K110 PolarHBondContact OE1-NZ 3.44Å
104	K	86.6	Confident	85.8	Confident	130 Å²	130	60.1 Å²	60.1	57%	0.565	30%	0.297	S	S	*	.	B	Isolated β-bridge	trans	-138.2	166.2	-173.3	-68.5	177.4	-173.5	173.1	0	111.6	D106 F112	K104-D106 WeakPolarHBondContact CB-OD2 3.36Å; K104-D106 WeakPolarHBondContact CD-OD2 3.43Å; K104-D106 PolarHBondContact O-N 3.17Å; K104-F112 PolarHBondContact O-N 2.83Å
105	F	87.5	Confident	86.3	Confident	98 Å²	98	60.9 Å²	60.9	43%	0.43	30%	0.301	S	S	.	.	S	Bend	trans	-90.2	52	176.1	-70.1	-83.7	0	0	0	111.4	F102 F112 Y113 R242	F102-F105 HydrophobicContact CE2-CD1 4.4Å; F102-F105 HydrophobicContact CE2-CD2 4.49Å; F102-F105 AromaticContact CE2-CE1 3.93Å; F102-F105 HydrophobicContact CE2-CE1 3.93Å; F102-F105 HydrophobicContact CE2-CE2 4.03Å; F102-F105 AromaticContact CE2-CZ 3.74Å; F102-F105 HydrophobicContact CE2-CZ 3.74Å; F102-F105 HydrophobicContact CZ-CE1 4.2Å; F102-F105 AromaticContact CZ-CZ 3.99Å; F102-F105 HydrophobicContact CZ-CZ 3.99Å; F105-F112 HydrophobicContact CD1-CB 3.84Å; F105-F112 HydrophobicContact CD1-CD1 4.19Å; F105-F112 AromaticContact CD1-CD2 3.99Å; F105-F112 HydrophobicContact CD1-CD2 3.99Å; F105-F112 AromaticContact CD1-CG 3.75Å; F105-F112 HydrophobicContact CD1-CG 3.75Å; F105-F112 HydrophobicContact CE1-CB 4.4Å; F105-F112 AromaticContact CE1-CD2 3.71Å; F105-F112 HydrophobicContact CE1-CD2 3.71Å; F105-F112 HydrophobicContact CE1-CE2 4.05Å; F105-F112 AromaticContact CE1-CG 3.98Å; F105-F112 HydrophobicContact CE1-CG 3.98Å; F105-F112 HydrophobicContact CG-CB 4.49Å; F105-Y113 WeakPolarHBondContact O-CE2 3.45Å; F105-R242 WeakPolarHBondContact CE1-O 3.32Å
106	D	88.9	Confident	86.9	Confident	39 Å²	39	58.1 Å²	58.1	21%	0.209	29%	0.289	C	S	.	.	S	Bend	trans	-120.4	177.3	178.5	48.3	23.1	0	0	0	111	K104 D108 G111 F112 Y113	K104-D106 WeakPolarHBondContact CB-OD2 3.36Å; K104-D106 WeakPolarHBondContact CD-OD2 3.43Å; K104-D106 PolarHBondContact O-N 3.17Å; D106-D108 VanDerWaalsContact C-N 3.28Å; D106-G111 CarbonylContact O-C 3.48Å; D106-G111 VanDerWaalsContact O-CA 3.27Å; D106-G111 WeakPolarHBondContact O-CA 2.94Å; D106-G111 WeakPolarHBondContact OD1-CA 3Å; D106-F112 PolarHBondContact O-N 2.96Å; D106-Y113 WeakPolarHBondContact O-CD2 3.44Å
107	D	90.4	Very high	87.3	Confident	65 Å²	65	58 Å²	58	35%	0.348	30%	0.295	S	S	.	.	S	Bend	trans	-92.2	17.8	175.5	-63.8	-47.8	0	0	0	112	Y113 T114 C168 S169	D107-Y113 VanDerWaalsContact OD1-CB 3.28Å; D107-Y113 WeakPolarHBondContact OD1-CB 3.41Å; D107-Y113 WeakPolarHBondContact OD1-CD2 3.28Å; D107-T114 WeakPolarHBondContact O-CG2 3.48Å; D107-C168 WeakPolarHBondContact OD1-CA 3.5Å; D107-C168 WeakPolarHBondContact OD1-CB 3.4Å; D107-S169 PolarHBondContact OD1-N 3.36Å; D107-S169 VanDerWaalsContact OD2-CB 3.22Å; D107-S169 WeakPolarHBondContact OD2-CB 3.4Å; D107-S169 PolarHBondContact OD2-N 3.48Å; D107-S169 PolarHBondContact OD2-OG 3.48Å
108	D	89.6	Confident	87.8	Confident	101 Å²	101	63.8 Å²	63.8	54%	0.54	32%	0.32	S	S	.	.	S	Bend	trans	-68.4	168.2	176.6	-75.1	-9.3	0	0	0	111	D106 K110 G111 T114	D106-D108 VanDerWaalsContact C-N 3.28Å; D108-K110 PolarHBondContact O-N 2.84Å; D108-K110 VanDerWaalsContact O-N 3.08Å; D108-G111 WeakPolarHBondContact O-CA 3.35Å; D108-G111 PolarHBondContact O-N 3.31Å; D108-T114 WeakPolarHBondContact O-CB 3.42Å; D108-T114 WeakPolarHBondContact O-CG2 3.45Å; D108-T114 PolarHBondContact O-OG1 3.44Å
109	L	87.3	Confident	88.4	Confident	169 Å²	169	63.4 Å²	63.4	89%	0.885	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.3	-177.2	-66	175.1	0	0	0	114.4	T114	L109-T114 PolarHBondContact O-OG1 3.05Å
110	K	87.7	Confident	89.2	Confident	125 Å²	125	58.7 Å²	58.7	54%	0.543	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	17.8	173.4	-61.7	-176.6	-176.2	-179.1	0	112.4	F102 E103 D108	F102-K110 WeakPolarHBondContact CA-O 3.45Å; E103-K110 HydrophobicContact CG-CB 4.41Å; E103-K110 HydrophobicContact CG-CD 4.35Å; E103-K110 PolarHBondContact N-O 2.85Å; E103-K110 WeakPolarHBondContact OE1-CD 3.42Å; E103-K110 IonicContact OE1-NZ 3.92Å; E103-K110 PolarHBondContact OE1-NZ 3.44Å; D108-K110 PolarHBondContact O-N 2.84Å; D108-K110 VanDerWaalsContact O-N 3.08Å
111	G	90.5	Very high	89.8	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-72.6	154.6	174.8	0	0	0	0	0	111.3	D106 D108 Y113 T114 V115	D106-G111 CarbonylContact O-C 3.48Å; D106-G111 VanDerWaalsContact O-CA 3.27Å; D106-G111 WeakPolarHBondContact O-CA 2.94Å; D106-G111 WeakPolarHBondContact OD1-CA 3Å; D108-G111 WeakPolarHBondContact O-CA 3.35Å; D108-G111 PolarHBondContact O-N 3.31Å; G111-Y113 PolarHBondContact O-N 3.34Å; G111-T114 PolarHBondContact O-N 3.08Å; G111-T114 PolarHBondContact O-OG1 3.12Å; G111-T114 VanDerWaalsContact O-OG1 3.06Å; G111-V115 WeakPolarHBondContact O-CB 3.3Å; G111-V115 VanDerWaalsContact O-CG2 3.26Å; G111-V115 WeakPolarHBondContact O-CG2 3.4Å; G111-V115 PolarHBondContact O-N 3.5Å; G111-V115 VanDerWaalsContact O-N 3.14Å
112	F	92.1	Very high	90.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-50.9	-46.8	179.5	177.8	-93.3	0	0	0	111.5	F102 K104 F105 D106 Y116 F166 V239 R242 D243	F102-F112 HydrophobicContact CB-CB 4.44Å; F102-F112 AromaticContact CD1-CD2 3.85Å; F102-F112 HydrophobicContact CD1-CD2 3.85Å; F102-F112 HydrophobicContact CD2-CB 3.86Å; F102-F112 AromaticContact CD2-CD2 3.99Å; F102-F112 HydrophobicContact CD2-CD2 3.99Å; F102-F112 HydrophobicContact CD2-CG 4.44Å; F102-F112 AromaticContact CE1-CD2 3.68Å; F102-F112 HydrophobicContact CE1-CD2 3.68Å; F102-F112 HydrophobicContact CE1-CE2 4.14Å; F102-F112 HydrophobicContact CE2-CB 4.3Å; F102-F112 AromaticContact CE2-CD2 3.8Å; F102-F112 HydrophobicContact CE2-CD2 3.8Å; F102-F112 HydrophobicContact CG-CB 4.1Å; F102-F112 HydrophobicContact CG-CD2 4.02Å; F102-F112 AromaticContact CZ-CD2 3.66Å; F102-F112 HydrophobicContact CZ-CD2 3.66Å; F102-F112 HydrophobicContact CZ-CE2 4.2Å; K104-F112 PolarHBondContact O-N 2.83Å; F105-F112 HydrophobicContact CD1-CB 3.84Å; F105-F112 HydrophobicContact CD1-CD1 4.19Å; F105-F112 AromaticContact CD1-CD2 3.99Å; F105-F112 HydrophobicContact CD1-CD2 3.99Å; F105-F112 AromaticContact CD1-CG 3.75Å; F105-F112 HydrophobicContact CD1-CG 3.75Å; F105-F112 HydrophobicContact CE1-CB 4.4Å; F105-F112 AromaticContact CE1-CD2 3.71Å; F105-F112 HydrophobicContact CE1-CD2 3.71Å; F105-F112 HydrophobicContact CE1-CE2 4.05Å; F105-F112 AromaticContact CE1-CG 3.98Å; F105-F112 HydrophobicContact CE1-CG 3.98Å; F105-F112 HydrophobicContact CG-CB 4.49Å; D106-F112 PolarHBondContact O-N 2.96Å; F112-Y116 HydrophobicContact CD1-CD2 4.3Å; F112-Y116 AromaticContact CD2-CD2 3.68Å; F112-Y116 HydrophobicContact CD2-CD2 3.68Å; F112-Y116 AromaticContact CD2-CE2 3.44Å; F112-Y116 HydrophobicContact CD2-CE2 3.44Å; F112-Y116 VanDerWaalsContact CD2-CE2 3.44Å; F112-Y116 HydrophobicContact CE1-CD2 4.23Å; F112-Y116 AromaticContact CE2-CD2 3.6Å; F112-Y116 HydrophobicContact CE2-CD2 3.6Å; F112-Y116 AromaticContact CE2-CE2 3.3Å; F112-Y116 HydrophobicContact CE2-CE2 3.3Å; F112-Y116 HydrophobicContact CG-CD2 4.04Å; F112-Y116 HydrophobicContact CG-CE2 4.23Å; F112-Y116 AromaticContact CZ-CD2 3.89Å; F112-Y116 HydrophobicContact CZ-CD2 3.89Å; F112-Y116 HydrophobicContact CZ-CE2 4.01Å; F112-Y116 WeakPolarHBondContact O-CD2 3.39Å; F112-Y116 PolarHBondContact O-N 3.24Å; F112-F166 HydrophobicContact CE1-CE1 4.3Å; F112-F166 AromaticContact CE1-CZ 3.97Å; F112-F166 HydrophobicContact CE1-CZ 3.97Å; F112-V239 HydrophobicContact CE1-CG1 4.34Å; F112-V239 HydrophobicContact CZ-CG1 3.74Å; F112-R242 HydrophobicContact CE2-CB 4.25Å; F112-D243 HydrophobicContact CE1-CB 3.96Å; F112-D243 HydrophobicContact CZ-CB 4.03Å
113	Y	92.8	Very high	90.5	Very high	9 Å²	9	58 Å²	58	4%	0.035	30%	0.296	C	S	.	.	H	α-helix	trans	-72.4	-39.3	-171.1	-56.5	-73.3	0	0	0	112.9	F105 D106 D107 G111 A117 F166 S169 R245	F105-Y113 WeakPolarHBondContact O-CE2 3.45Å; D106-Y113 WeakPolarHBondContact O-CD2 3.44Å; D107-Y113 VanDerWaalsContact OD1-CB 3.28Å; D107-Y113 WeakPolarHBondContact OD1-CB 3.41Å; D107-Y113 WeakPolarHBondContact OD1-CD2 3.28Å; G111-Y113 PolarHBondContact O-N 3.34Å; Y113-A117 WeakPolarHBondContact O-CB 3.43Å; Y113-A117 PolarHBondContact O-N 2.61Å; Y113-F166 AromaticContact CD1-CE1 3.88Å; Y113-F166 HydrophobicContact CD1-CE1 3.88Å; Y113-S169 VanDerWaalsContact CE2-CA 3.48Å; Y113-R245 HydrophobicContact CE1-CG 4.24Å
114	T	92.3	Very high	90.9	Very high	46 Å²	46	52.4 Å²	52.4	28%	0.282	27%	0.271	S	S	.	.	H	α-helix	trans	-71.5	-41.7	180	57.8	0	0	0	0	112.1	D107 D108 L109 G111 A117 K118	D107-T114 WeakPolarHBondContact O-CG2 3.48Å; D108-T114 WeakPolarHBondContact O-CB 3.42Å; D108-T114 WeakPolarHBondContact O-CG2 3.45Å; D108-T114 PolarHBondContact O-OG1 3.44Å; L109-T114 PolarHBondContact O-OG1 3.05Å; G111-T114 PolarHBondContact O-N 3.08Å; G111-T114 PolarHBondContact O-OG1 3.12Å; G111-T114 VanDerWaalsContact O-OG1 3.06Å; T114-A117 PolarHBondContact O-N 2.83Å; T114-K118 WeakPolarHBondContact O-CB 3.35Å; T114-K118 PolarHBondContact O-N 3.48Å
115	V	91.8	Very high	90.9	Very high	20 Å²	20	50.4 Å²	50.4	12%	0.121	26%	0.263	C	S	.	.	H	α-helix	trans	-60	-56.3	178.5	172.6	0	0	0	0	108.9	Y96 C101 G111 A117 K118 V119	Y96-V115 HydrophobicContact CD1-CG1 4.14Å; Y96-V115 HydrophobicContact CE1-CG1 4.2Å; C101-V115 HydrophobicContact CB-CG1 4.45Å; C101-V115 WeakPolarHBondContact O-CG2 3.35Å; G111-V115 WeakPolarHBondContact O-CB 3.3Å; G111-V115 VanDerWaalsContact O-CG2 3.26Å; G111-V115 WeakPolarHBondContact O-CG2 3.4Å; G111-V115 PolarHBondContact O-N 3.5Å; G111-V115 VanDerWaalsContact O-N 3.14Å; V115-A117 PolarHBondContact O-N 3.17Å; V115-K118 WeakPolarHBondContact O-CB 3.49Å; V115-K118 PolarHBondContact O-N 2.94Å; V115-V119 WeakPolarHBondContact O-CG2 3.39Å; V115-V119 PolarHBondContact O-N 3.23Å
116	Y	93.1	Very high	90.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.3	-35.9	-179.4	-72.4	-67.1	0	0	0	112.9	Y96 C101 F102 F112 K118 V119 F120 L235 Y238 V239	Y96-Y116 PolarHBondContact O-OH 3.33Å; C101-Y116 PolarHBondContact SG-OH 3.31Å; C101-Y116 VanDerWaalsContact SG-OH 3.38Å; F102-Y116 AromaticContact CD1-CE2 3.89Å; F102-Y116 HydrophobicContact CD1-CE2 3.89Å; F102-Y116 HydrophobicContact CE1-CE2 4.12Å; F112-Y116 HydrophobicContact CD1-CD2 4.3Å; F112-Y116 AromaticContact CD2-CD2 3.68Å; F112-Y116 HydrophobicContact CD2-CD2 3.68Å; F112-Y116 AromaticContact CD2-CE2 3.44Å; F112-Y116 HydrophobicContact CD2-CE2 3.44Å; F112-Y116 VanDerWaalsContact CD2-CE2 3.44Å; F112-Y116 HydrophobicContact CE1-CD2 4.23Å; F112-Y116 AromaticContact CE2-CD2 3.6Å; F112-Y116 HydrophobicContact CE2-CD2 3.6Å; F112-Y116 AromaticContact CE2-CE2 3.3Å; F112-Y116 HydrophobicContact CE2-CE2 3.3Å; F112-Y116 HydrophobicContact CG-CD2 4.04Å; F112-Y116 HydrophobicContact CG-CE2 4.23Å; F112-Y116 AromaticContact CZ-CD2 3.89Å; F112-Y116 HydrophobicContact CZ-CD2 3.89Å; F112-Y116 HydrophobicContact CZ-CE2 4.01Å; F112-Y116 WeakPolarHBondContact O-CD2 3.39Å; F112-Y116 PolarHBondContact O-N 3.24Å; Y116-K118 VanDerWaalsContact C-N 3.25Å; Y116-K118 PolarHBondContact O-N 3.29Å; Y116-V119 PolarHBondContact O-N 3.02Å; Y116-F120 HydrophobicContact CD1-CE2 4.49Å; Y116-F120 WeakPolarHBondContact O-CD2 3.33Å; Y116-F120 PolarHBondContact O-N 3.48Å; Y116-L235 HydrophobicContact CE1-CD1 4.12Å; Y116-Y238 WeakPolarHBondContact OH-CE1 3.39Å; Y116-V239 HydrophobicContact CD1-CG1 4.43Å; Y116-V239 HydrophobicContact CD1-CG2 3.41Å; Y116-V239 VanDerWaalsContact CD1-CG2 3.41Å; Y116-V239 HydrophobicContact CD2-CG1 4.35Å; Y116-V239 HydrophobicContact CD2-CG2 4.41Å; Y116-V239 HydrophobicContact CE1-CG2 3.31Å; Y116-V239 HydrophobicContact CE2-CG2 4.38Å; Y116-V239 HydrophobicContact CG-CG1 4.2Å; Y116-V239 HydrophobicContact CG-CG2 3.99Å
117	A	93.1	Very high	90.9	Very high	32 Å²	32	44.9 Å²	44.9	26%	0.264	24%	0.237	S	C	.	.	H	α-helix	trans	-57.1	-42.1	173.1	0	0	0	0	0	111.4	Y113 T114 V115 A121 F166	Y113-A117 WeakPolarHBondContact O-CB 3.43Å; Y113-A117 PolarHBondContact O-N 2.61Å; T114-A117 PolarHBondContact O-N 2.83Å; V115-A117 PolarHBondContact O-N 3.17Å; A117-A121 VanDerWaalsContact O-CB 3.27Å; A117-A121 WeakPolarHBondContact O-CB 3.42Å; A117-A121 PolarHBondContact O-N 2.98Å; A117-F166 HydrophobicContact CB-CB 4.09Å; A117-F166 HydrophobicContact CB-CD1 4.16Å
118	K	92.1	Very high	90.7	Very high	133 Å²	133	45.3 Å²	45.3	58%	0.578	24%	0.236	S	C	*	.	H	α-helix	trans	-64.6	-46	174.8	-175	-179.8	177	-179.4	0	111.9	T114 V115 Y116 F120 A121 D122	T114-K118 WeakPolarHBondContact O-CB 3.35Å; T114-K118 PolarHBondContact O-N 3.48Å; V115-K118 WeakPolarHBondContact O-CB 3.49Å; V115-K118 PolarHBondContact O-N 2.94Å; Y116-K118 VanDerWaalsContact C-N 3.25Å; Y116-K118 PolarHBondContact O-N 3.29Å; K118-F120 VanDerWaalsContact C-N 3.34Å; K118-F120 PolarHBondContact O-N 2.79Å; K118-A121 WeakPolarHBondContact O-CB 3.22Å; K118-A121 PolarHBondContact O-N 3.23Å; K118-A121 VanDerWaalsContact O-N 3.15Å; K118-D122 VanDerWaalsContact O-CG 3.28Å; K118-D122 PolarHBondContact O-N 2.95Å
119	V	92.3	Very high	90.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.9	-48.5	177.6	-178.4	0	0	0	0	111.6	Y96 V115 Y116 A121 D122 I123 L235	Y96-V119 HydrophobicContact CD1-CG2 3.42Å; Y96-V119 VanDerWaalsContact CD1-CG2 3.42Å; Y96-V119 HydrophobicContact CD2-CB 4.39Å; Y96-V119 HydrophobicContact CD2-CG1 3.76Å; Y96-V119 HydrophobicContact CD2-CG2 3.63Å; Y96-V119 HydrophobicContact CE1-CG2 3.24Å; Y96-V119 HydrophobicContact CE2-CB 4.27Å; Y96-V119 HydrophobicContact CE2-CG1 3.83Å; Y96-V119 HydrophobicContact CE2-CG2 3.44Å; Y96-V119 VanDerWaalsContact CE2-CG2 3.44Å; Y96-V119 HydrophobicContact CG-CG1 4.32Å; Y96-V119 HydrophobicContact CG-CG2 3.6Å; V115-V119 WeakPolarHBondContact O-CG2 3.39Å; V115-V119 PolarHBondContact O-N 3.23Å; Y116-V119 PolarHBondContact O-N 3.02Å; V119-A121 VanDerWaalsContact C-N 3.31Å; V119-A121 PolarHBondContact O-N 3.34Å; V119-D122 PolarHBondContact O-N 3.2Å; V119-I123 HydrophobicContact CG1-CD1 3.85Å; V119-I123 HydrophobicContact CG1-CG1 4.48Å; V119-I123 VanDerWaalsContact O-CG1 3.28Å; V119-I123 WeakPolarHBondContact O-CG1 3.35Å; V119-I123 PolarHBondContact O-N 3.25Å; V119-L235 HydrophobicContact CG1-CD2 3.89Å
120	F	93.9	Very high	90.2	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.022	20%	0.195	C	C	.	.	H	α-helix	trans	-69.9	-29.9	179.8	-72.3	-67.4	0	0	0	112.3	Y116 K118 I123 T124 F166 F180 W184 L235 V236 V239	Y116-F120 HydrophobicContact CD1-CE2 4.49Å; Y116-F120 WeakPolarHBondContact O-CD2 3.33Å; Y116-F120 PolarHBondContact O-N 3.48Å; K118-F120 VanDerWaalsContact C-N 3.34Å; K118-F120 PolarHBondContact O-N 2.79Å; F120-I123 HydrophobicContact CD1-CD1 4.46Å; F120-T124 WeakPolarHBondContact O-CB 3.07Å; F120-T124 PolarHBondContact O-N 3.01Å; F120-T124 PolarHBondContact O-OG1 2.97Å; F120-F166 HydrophobicContact CD2-CD2 4.41Å; F120-F180 HydrophobicContact CB-CE2 4.25Å; F120-F180 HydrophobicContact CB-CZ 4.37Å; F120-F180 HydrophobicContact CD1-CE2 4.45Å; F120-F180 AromaticContact CD1-CZ 3.94Å; F120-F180 HydrophobicContact CD1-CZ 3.94Å; F120-F180 HydrophobicContact CD2-CE1 4.49Å; F120-F180 HydrophobicContact CD2-CE2 4.15Å; F120-F180 AromaticContact CD2-CZ 3.5Å; F120-F180 HydrophobicContact CD2-CZ 3.5Å; F120-F180 VanDerWaalsContact CD2-CZ 3.5Å; F120-F180 HydrophobicContact CE1-CZ 4.06Å; F120-F180 HydrophobicContact CE2-CE1 4.27Å; F120-F180 AromaticContact CE2-CZ 3.65Å; F120-F180 HydrophobicContact CE2-CZ 3.65Å; F120-F180 HydrophobicContact CG-CE2 4.04Å; F120-F180 AromaticContact CG-CZ 3.67Å; F120-F180 HydrophobicContact CG-CZ 3.67Å; F120-F180 HydrophobicContact CZ-CE1 4.44Å; F120-F180 AromaticContact CZ-CZ 3.93Å; F120-F180 HydrophobicContact CZ-CZ 3.93Å; F120-W184 HydrophobicContact CB-CZ2 4.09Å; F120-W184 AromaticContact CD1-CD2 3.82Å; F120-W184 HydrophobicContact CD1-CD2 3.82Å; F120-W184 AromaticContact CD1-CE2 3.82Å; F120-W184 AromaticContact CD1-CE3 3.85Å; F120-W184 HydrophobicContact CD1-CE3 3.85Å; F120-W184 HydrophobicContact CD1-CG 4.49Å; F120-W184 AromaticContact CD1-CH2 3.91Å; F120-W184 HydrophobicContact CD1-CH2 3.91Å; F120-W184 AromaticContact CD1-CZ2 3.87Å; F120-W184 HydrophobicContact CD1-CZ2 3.87Å; F120-W184 AromaticContact CD1-CZ3 3.9Å; F120-W184 HydrophobicContact CD1-CZ3 3.9Å; F120-W184 HydrophobicContact CE1-CD2 4.08Å; F120-W184 HydrophobicContact CE1-CE3 4Å; F120-W184 HydrophobicContact CE1-CG 4.47Å; F120-W184 HydrophobicContact CE1-CZ3 4.38Å; F120-W184 HydrophobicContact CG-CZ2 4.41Å; F120-L235 HydrophobicContact CE1-CD2 4.14Å; F120-L235 HydrophobicContact CZ-CD2 3.95Å; F120-L235 HydrophobicContact CZ-CG 4.29Å; F120-V236 HydrophobicContact CE1-CG2 3.73Å; F120-V236 HydrophobicContact CZ-CG2 3.94Å; F120-V239 HydrophobicContact CE2-CG2 4.36Å; F120-V239 HydrophobicContact CZ-CG2 4.47Å
121	A	92.5	Very high	89.8	Confident	54 Å²	54	31 Å²	31	45%	0.446	18%	0.175	S	C	.	.	H	α-helix	trans	-66.3	-44.9	170.8	0	0	0	0	0	111.7	A117 K118 V119 T124 E125	A117-A121 VanDerWaalsContact O-CB 3.27Å; A117-A121 WeakPolarHBondContact O-CB 3.42Å; A117-A121 PolarHBondContact O-N 2.98Å; K118-A121 WeakPolarHBondContact O-CB 3.22Å; K118-A121 PolarHBondContact O-N 3.23Å; K118-A121 VanDerWaalsContact O-N 3.15Å; V119-A121 VanDerWaalsContact C-N 3.31Å; V119-A121 PolarHBondContact O-N 3.34Å; A121-T124 WeakPolarHBondContact O-CB 3.43Å; A121-T124 PolarHBondContact O-N 3.44Å; A121-T124 VanDerWaalsContact O-N 3.17Å; A121-E125 PolarHBondContact O-N 2.83Å
122	D	91.5	Very high	89.1	Confident	61 Å²	61	36.9 Å²	36.9	33%	0.326	20%	0.2	S	C	.	.	H	α-helix	trans	-63.5	-43.8	177.7	-68	-17.2	0	0	0	110.9	V91 K118 V119 T124 E125 E126	V91-D122 HydrophobicContact CG2-CB 3.81Å; K118-D122 VanDerWaalsContact O-CG 3.28Å; K118-D122 PolarHBondContact O-N 2.95Å; V119-D122 PolarHBondContact O-N 3.2Å; D122-T124 VanDerWaalsContact C-N 3.33Å; D122-T124 PolarHBondContact O-N 2.95Å; D122-E125 PolarHBondContact O-N 3.33Å; D122-E126 WeakPolarHBondContact O-CB 3.4Å; D122-E126 PolarHBondContact O-N 3.32Å
123	I	91.5	Very high	88	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-41.8	173.4	-64.6	166.2	0	0	0	110.4	V91 V93 V119 F120 E125 E126 E127 W184 F187 I232 L235	V91-I123 HydrophobicContact CB-CG1 4.24Å; V91-I123 HydrophobicContact CG1-CG1 4.21Å; V93-I123 HydrophobicContact CG2-CD1 4.5Å; V119-I123 HydrophobicContact CG1-CD1 3.85Å; V119-I123 HydrophobicContact CG1-CG1 4.48Å; V119-I123 VanDerWaalsContact O-CG1 3.28Å; V119-I123 WeakPolarHBondContact O-CG1 3.35Å; V119-I123 PolarHBondContact O-N 3.25Å; F120-I123 HydrophobicContact CD1-CD1 4.46Å; I123-E125 VanDerWaalsContact C-N 3.33Å; I123-E125 PolarHBondContact O-N 3.45Å; I123-E126 WeakPolarHBondContact O-CB 3.43Å; I123-E126 PolarHBondContact O-N 3.26Å; I123-E127 HydrophobicContact CG2-CG 4.3Å; I123-E127 WeakPolarHBondContact O-CB 3.28Å; I123-E127 WeakPolarHBondContact O-CG 3.49Å; I123-E127 PolarHBondContact O-N 3.02Å; I123-W184 HydrophobicContact CB-CH2 4.14Å; I123-W184 HydrophobicContact CB-CZ3 4.41Å; I123-W184 HydrophobicContact CG2-CH2 3.79Å; I123-W184 HydrophobicContact CG2-CZ3 3.71Å; I123-F187 HydrophobicContact CG2-CE2 4.45Å; I123-F187 HydrophobicContact CG2-CZ 4.38Å; I123-I232 HydrophobicContact CD1-CG1 4.49Å; I123-I232 HydrophobicContact CG2-CD1 3.83Å; I123-L235 HydrophobicContact CD1-CD2 4.36Å
124	T	91.2	Very high	86.7	Confident	14 Å²	14	47.6 Å²	47.6	9%	0.086	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-42.7	177.5	-67	0	0	0	0	111.3	F120 A121 D122 E127 K128 Y163 W184	F120-T124 WeakPolarHBondContact O-CB 3.07Å; F120-T124 PolarHBondContact O-N 3.01Å; F120-T124 PolarHBondContact O-OG1 2.97Å; A121-T124 WeakPolarHBondContact O-CB 3.43Å; A121-T124 PolarHBondContact O-N 3.44Å; A121-T124 VanDerWaalsContact O-N 3.17Å; D122-T124 VanDerWaalsContact C-N 3.33Å; D122-T124 PolarHBondContact O-N 2.95Å; T124-E127 PolarHBondContact O-N 3.32Å; T124-K128 HydrophobicContact CG2-CD 4.02Å; T124-K128 HydrophobicContact CG2-CG 4.35Å; T124-K128 WeakPolarHBondContact O-CB 3.45Å; T124-K128 VanDerWaalsContact O-CG 3.27Å; T124-K128 WeakPolarHBondContact O-CG 3.37Å; T124-K128 PolarHBondContact O-N 3.2Å; T124-Y163 HydrophobicContact CG2-CD1 4.1Å; T124-Y163 HydrophobicContact CG2-CD2 3.87Å; T124-Y163 HydrophobicContact CG2-CG 3.58Å; T124-W184 WeakPolarHBondContact OG1-CZ2 3.37Å
125	E	87.8	Confident	85	Confident	87 Å²	87	48.3 Å²	48.3	41%	0.407	27%	0.272	S	S	.	.	H	α-helix	trans	-69.4	-40.2	179.1	-167	55.2	-145.2	0	0	111.8	A121 D122 I123 E127 K128 C129	A121-E125 PolarHBondContact O-N 2.83Å; D122-E125 PolarHBondContact O-N 3.33Å; I123-E125 VanDerWaalsContact C-N 3.33Å; I123-E125 PolarHBondContact O-N 3.45Å; E125-E127 VanDerWaalsContact C-N 3.27Å; E125-E127 PolarHBondContact O-N 3.33Å; E125-K128 PolarHBondContact O-N 3.18Å; E125-C129 WeakPolarHBondContact O-CB 3.48Å; E125-C129 PolarHBondContact O-N 3.49Å; E125-C129 PolarHBondContact O-SG 2.92Å
126	E	86.6	Confident	83	Confident	22 Å²	22	49.1 Å²	49.1	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-55.4	-44	171.6	-172.8	-170.2	127.8	0	0	111.1	V91 D122 I123 A130 K191 R228	V91-E126 WeakPolarHBondContact CG2-OE2 3.46Å; V91-E126 PolarHBondContact N-OE2 3.08Å; D122-E126 WeakPolarHBondContact O-CB 3.4Å; D122-E126 PolarHBondContact O-N 3.32Å; I123-E126 WeakPolarHBondContact O-CB 3.43Å; I123-E126 PolarHBondContact O-N 3.26Å; E126-A130 WeakPolarHBondContact O-CB 3.46Å; E126-A130 PolarHBondContact O-N 3.14Å; E126-K191 VanDerWaalsContact CG-NZ 3.31Å; E126-K191 VanDerWaalsContact OE1-CE 3.25Å; E126-K191 WeakPolarHBondContact OE1-CE 3.43Å; E126-K191 IonicContact OE1-NZ 3.22Å; E126-K191 PolarHBondContact OE1-NZ 2.95Å; E126-R228 IonicContact OE1-CZ 2.6Å; E126-R228 IonicContact OE1-NE 2.68Å; E126-R228 IonicContact OE1-NH2 3.2Å; E126-R228 PolarHBondContact OE1-NH2 2.6Å; E126-R228 IonicContact OE2-NH2 2.82Å; E126-R228 PolarHBondContact OE2-NH2 3.33Å
127	E	89.1	Confident	80.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-74.3	-36.2	179.7	-70.5	-65.8	150.1	0	0	113.3	I123 T124 E125 A130 A131 Y163 F187 T189 K190	I123-E127 HydrophobicContact CG2-CG 4.3Å; I123-E127 WeakPolarHBondContact O-CB 3.28Å; I123-E127 WeakPolarHBondContact O-CG 3.49Å; I123-E127 PolarHBondContact O-N 3.02Å; T124-E127 PolarHBondContact O-N 3.32Å; E125-E127 VanDerWaalsContact C-N 3.27Å; E125-E127 PolarHBondContact O-N 3.33Å; E127-A130 PolarHBondContact O-N 3.03Å; E127-A131 WeakPolarHBondContact O-CB 3.49Å; E127-A131 PolarHBondContact O-N 3.37Å; E127-Y163 HydrophobicContact CB-CE1 4.16Å; E127-Y163 WeakPolarHBondContact CB-OH 3.29Å; E127-F187 HydrophobicContact CG-CE2 3.99Å; E127-F187 HydrophobicContact CG-CZ 3.7Å; E127-T189 VanDerWaalsContact CD-OG1 3.32Å; E127-T189 VanDerWaalsContact OE1-CB 3.29Å; E127-T189 WeakPolarHBondContact OE1-CB 3.46Å; E127-T189 PolarHBondContact OE1-OG1 2.64Å; E127-T189 VanDerWaalsContact OE2-CA 3.26Å; E127-T189 WeakPolarHBondContact OE2-CA 3.46Å; E127-T189 PolarHBondContact OE2-OG1 3.39Å; E127-K190 PolarHBondContact OE2-N 3.26Å
128	K	86	Confident	78.5	Confident	74 Å²	74	56.8 Å²	56.8	32%	0.322	32%	0.319	S	S	.	.	H	α-helix	trans	-63.2	-43.4	171.9	-77.5	172.4	179	174.7	0	110.9	T124 E125 A131 K132 Y163	T124-K128 HydrophobicContact CG2-CD 4.02Å; T124-K128 HydrophobicContact CG2-CG 4.35Å; T124-K128 WeakPolarHBondContact O-CB 3.45Å; T124-K128 VanDerWaalsContact O-CG 3.27Å; T124-K128 WeakPolarHBondContact O-CG 3.37Å; T124-K128 PolarHBondContact O-N 3.2Å; E125-K128 PolarHBondContact O-N 3.18Å; K128-A131 PolarHBondContact O-N 3.05Å; K128-K132 WeakPolarHBondContact O-CG 3.34Å; K128-K132 PolarHBondContact O-N 2.87Å; K128-Y163 HydrophobicContact CG-CE2 4.41Å
129	C	83.6	Confident	76.2	Confident	64 Å²	64	55.1 Å²	55.1	43%	0.432	32%	0.324	S	S	.	.	H	α-helix	trans	-62.8	-44.3	175.5	-71.4	0	0	0	0	111.5	E125 A131 K132 F133	E125-C129 WeakPolarHBondContact O-CB 3.48Å; E125-C129 PolarHBondContact O-N 3.49Å; E125-C129 PolarHBondContact O-SG 2.92Å; C129-A131 VanDerWaalsContact C-N 3.33Å; C129-A131 PolarHBondContact O-N 2.87Å; C129-K132 PolarHBondContact O-N 3.38Å; C129-F133 PolarHBondContact O-N 3.12Å
130	A	82	Confident	74	Confident	15 Å²	15	60.7 Å²	60.7	12%	0.124	36%	0.363	C	S	.	.	H	α-helix	trans	-61.7	-39.8	174.8	0	0	0	0	0	112.7	E126 E127 F133 S134 K191	E126-A130 WeakPolarHBondContact O-CB 3.46Å; E126-A130 PolarHBondContact O-N 3.14Å; E127-A130 PolarHBondContact O-N 3.03Å; A130-F133 PolarHBondContact O-N 2.98Å; A130-S134 WeakPolarHBondContact O-CB 3.48Å; A130-S134 PolarHBondContact O-N 3.23Å; A130-K191 HydrophobicContact CB-CB 4.42Å; A130-K191 HydrophobicContact CB-CD 4.49Å; A130-K191 HydrophobicContact CB-CG 3.41Å; A130-K191 VanDerWaalsContact CB-CG 3.41Å
131	A	79.9	Confident	71.6	Confident	15 Å²	15	65.3 Å²	65.3	12%	0.124	40%	0.396	C	S	.	.	H	α-helix	trans	-65.9	-40.1	177.4	0	0	0	0	0	112.4	E127 K128 C129 S134 C136 K190	E127-A131 WeakPolarHBondContact O-CB 3.49Å; E127-A131 PolarHBondContact O-N 3.37Å; K128-A131 PolarHBondContact O-N 3.05Å; C129-A131 VanDerWaalsContact C-N 3.33Å; C129-A131 PolarHBondContact O-N 2.87Å; A131-S134 PolarHBondContact O-N 3.36Å; A131-C136 PolarHBondContact O-N 3.36Å; A131-K190 HydrophobicContact CB-CB 4.26Å; A131-K190 HydrophobicContact CB-CG 4.37Å
132	K	75.2	Confident	69.5	Low	123 Å²	123	71 Å²	71	54%	0.535	41%	0.413	S	S	.	.	H	α-helix	trans	-60.2	-47.3	172.8	-71.6	170.6	-177.9	174.8	0	110.8	K128 C129 S134 G135	K128-K132 WeakPolarHBondContact O-CG 3.34Å; K128-K132 PolarHBondContact O-N 2.87Å; C129-K132 PolarHBondContact O-N 3.38Å; K132-S134 PolarHBondContact O-N 2.86Å; K132-G135 PolarHBondContact O-N 3.11Å
133	F	69.5	Low	67.3	Low	173 Å²	173	72.6 Å²	72.6	76%	0.759	43%	0.429	S	S	*	.	H	α-helix	trans	-65.9	-37.3	-180	-173.7	-97.9	0	0	0	113.3	C129 A130 G135	C129-F133 PolarHBondContact O-N 3.12Å; A130-F133 PolarHBondContact O-N 2.98Å; F133-G135 PolarHBondContact O-N 2.86Å
134	S	65.1	Low	64.8	Low	61 Å²	61	80.3 Å²	80.3	43%	0.427	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-1.7	177.6	175.8	0	0	0	0	114	A130 A131 K132 C136	A130-S134 WeakPolarHBondContact O-CB 3.48Å; A130-S134 PolarHBondContact O-N 3.23Å; A131-S134 PolarHBondContact O-N 3.36Å; K132-S134 PolarHBondContact O-N 2.86Å; S134-C136 PolarHBondContact O-N 3.2Å
135	G	56.6	Low	62.7	Low	62 Å²	62	85 Å²	85	64%	0.639	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	22.4	-176.1	0	0	0	0	0	113.3	K132 F133	K132-G135 PolarHBondContact O-N 3.11Å; F133-G135 PolarHBondContact O-N 2.86Å
136	C	49.7	Very low	60.7	Low	37 Å²	37	88.3 Å²	88.3	25%	0.25	52%	0.524	C	S	.	.			trans	-78.2	123.3	171.3	-154.5	0	0	0	0	107.7	A131 S134 M138 R158	A131-C136 PolarHBondContact O-N 3.36Å; S134-C136 PolarHBondContact O-N 3.2Å; C136-M138 PolarHBondContact O-N 3.38Å; C136-R158 PolarHBondContact SG-NH1 3.47Å; C136-R158 VanDerWaalsContact SG-NH1 3.38Å
137	P	44.1	Very low	59	Low	106 Å²	106	94.2 Å²	94.2	69%	0.688	56%	0.556	S	S	*	*			trans	-62.2	107.7	-173.2	-19.3	30	0	0	0	110.7
138	M	47.5	Very low	57.2	Low	87 Å²	87	101.9 Å²	101.9	43%	0.429	60%	0.597	S	S	.	*			trans	-89.1	122.4	159.7	-85.8	-71.8	-72	0	0	106	C136 S140	C136-M138 PolarHBondContact O-N 3.38Å; M138-S140 VanDerWaalsContact C-N 3.26Å; M138-S140 PolarHBondContact O-N 3.44Å
139	S	44.3	Very low	55.5	Low	98 Å²	98	107.5 Å²	107.5	69%	0.685	63%	0.625	S	S	*	*			trans	-57.6	88.8	170	161.5	0	0	0	0	109.5	S141	S139-S141 PolarHBondContact O-N 3.35Å; S139-S141 VanDerWaalsContact O-N 3.14Å
140	S	46.1	Very low	54	Low	116 Å²	116	111.9 Å²	111.9	81%	0.811	64%	0.644	S	S	*	*			trans	-79.3	79.6	160.9	53	0	0	0	0	107.1	M138	M138-S140 VanDerWaalsContact C-N 3.26Å; M138-S140 PolarHBondContact O-N 3.44Å
141	S	44.2	Very low	52.4	Low	102 Å²	102	119 Å²	119	71%	0.713	68%	0.68	S	S	*	*			trans	-99.8	78.7	162	177.5	0	0	0	0	106.5	S139	S139-S141 PolarHBondContact O-N 3.35Å; S139-S141 VanDerWaalsContact O-N 3.14Å
142	E	48.1	Very low	51.2	Low	174 Å²	174	124.4 Å²	124.4	81%	0.813	72%	0.715	S	S	*	*			trans	-131.2	94	149.8	-64.6	-176	175.9	0	0	101.6
143	S	45.8	Very low	50.1	Low	95 Å²	95	128.1 Å²	128.1	66%	0.664	73%	0.731	S	S	*	*				48.1	104.4	103.4	62.1	0	0	0	0	109.8
144	D	37.4	Very low	49.3	Very low	161 Å²	161	129 Å²	129	86%	0.861	74%	0.735	S	S	*	*			cis	-152.2	114.9	49.6	-68.3	-41.3	0	0	0	110.9
145	S	47.7	Very low	48.5	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	76%	0.757	S	S	*	*			trans	-157	106.3	150.1	73.7	0	0	0	0	108.5	D147	S145-D147 PolarHBondContact O-N 3.25Å
146	D	45.3	Very low	47.8	Very low	157 Å²	157	138.4 Å²	138.4	84%	0.84	76%	0.758	S	S	*	*			trans	-60.7	114.8	162.4	-59	-51.4	0	0	0	107.5
147	D	52.5	Low	47.4	Very low	145 Å²	145	140.6 Å²	140.6	78%	0.775	79%	0.786	S	S	*	*			trans	173.4	129.2	146.4	-84	-27.9	0	0	0	109.8	S145	S145-D147 PolarHBondContact O-N 3.25Å
148	D	50.7	Low	47.4	Very low	161 Å²	161	144.6 Å²	144.6	86%	0.861	79%	0.788	S	S	*	*			trans	72.6	89	164.8	-56.7	-40.2	0	0	0	119.3
149	E	49.5	Very low	47.7	Very low	192 Å²	192	149.8 Å²	149.8	90%	0.897	81%	0.808	S	S	*	*			trans	-66.2	154.3	160.9	-66.3	-169.7	138.8	0	0	112.8
150	D	52.6	Low	48.3	Very low	156 Å²	156	148 Å²	148	83%	0.834	80%	0.796	S	S	*	*	S	Bend	trans	92.7	66.9	142.8	-130.5	14.1	0	0	0	120.1
151	N	49.1	Very low	49.2	Very low	164 Å²	164	148 Å²	148	88%	0.877	78%	0.778	S	S	*	*	S	Bend	trans	-168.1	-12.6	140.2	-129	-46.4	0	0	0	119.6
152	C	53.5	Low	50.9	Low	129 Å²	129	148 Å²	148	87%	0.872	78%	0.777	S	S	*	*			trans	-105	39.4	-163.3	-163.4	0	0	0	0	116.9
153	K	52.5	Low	52.9	Low	201 Å²	201	141.5 Å²	141.5	87%	0.874	75%	0.746	S	S	*	*			trans	-108.3	3.3	-176.8	-87.4	177.9	-179.4	165.3	0	117.3
154	K	52.7	Low	55.1	Low	191 Å²	191	138.4 Å²	138.4	83%	0.83	72%	0.723	S	S	*	*	S	Bend	trans	-91.3	-8.6	-168.8	-102.6	176.2	-179.3	167.4	0	118.2
155	Y	48.4	Very low	57.6	Low	228 Å²	228	135.5 Å²	135.5	89%	0.894	71%	0.713	S	S	*	*	S	Bend	trans	-128.9	6.3	-171.8	-68.8	-74.6	0	0	0	117.5
156	S	43.1	Very low	59.8	Low	93 Å²	93	130.4 Å²	130.4	65%	0.65	68%	0.677	S	S	*	*			trans	-105.7	63.9	176.3	64	0	0	0	0	112.5	R158	S156-R158 PolarHBondContact O-N 2.83Å
157	G	40.9	Very low	61.9	Low	83 Å²	83	124.1 Å²	124.1	86%	0.856	65%	0.65	S	S	*	*			trans	-72.8	17.8	-179.6	0	0	0	0	0	116.1	K159	G157-K159 PolarHBondContact O-N 3.35Å
158	R	44.4	Very low	63.7	Low	190 Å²	190	119.4 Å²	119.4	72%	0.717	63%	0.627	S	S	*	*			trans	-91.3	86.7	-179.2	-148	-178.4	-152.4	-168	9.2	109	C136 S156 S160	C136-R158 PolarHBondContact SG-NH1 3.47Å; C136-R158 VanDerWaalsContact SG-NH1 3.38Å; S156-R158 PolarHBondContact O-N 2.83Å; R158-S160 PolarHBondContact O-N 2.86Å; R158-S160 VanDerWaalsContact O-N 3.16Å
159	K	52.5	Low	65.5	Low	197 Å²	197	114 Å²	114	86%	0.857	60%	0.602	S	S	*	*			trans	-47.1	123.2	171.8	-72.2	-176.1	177.9	-175.4	0	109.1	G157 R161	G157-K159 PolarHBondContact O-N 3.35Å; K159-R161 PolarHBondContact O-N 2.93Å; K159-R161 VanDerWaalsContact O-N 3.17Å
160	S	56.9	Low	67.4	Low	60 Å²	60	109.7 Å²	109.7	42%	0.42	59%	0.593	S	S	.	*			trans	-49.2	122.6	169.8	-57.8	0	0	0	0	108.2	R158 S162	R158-S160 PolarHBondContact O-N 2.86Å; R158-S160 VanDerWaalsContact O-N 3.16Å; S160-S162 PolarHBondContact O-N 2.88Å
161	R	64.8	Low	69.2	Low	116 Å²	116	103.4 Å²	103.4	44%	0.438	56%	0.562	S	S	.	*			trans	-64.7	105.4	175.2	-77	-172.4	179.8	-174.3	-0.7	106.8	K159 Y163 E188	K159-R161 PolarHBondContact O-N 2.93Å; K159-R161 VanDerWaalsContact O-N 3.17Å; R161-Y163 WeakPolarHBondContact O-CD2 3.3Å; R161-Y163 PolarHBondContact O-N 3.08Å; R161-E188 IonicContact CZ-OE2 3.68Å; R161-E188 IonicContact NH1-OE2 2.68Å; R161-E188 PolarHBondContact NH1-OE2 3.32Å; R161-E188 IonicContact NH2-OE2 2.54Å; R161-E188 PolarHBondContact NH2-OE2 3.26Å; R161-E188 VanDerWaalsContact NH2-OE2 3.11Å
162	S	81.2	Confident	71.2	Confident	101 Å²	101	98.3 Å²	98.3	71%	0.706	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-73.2	121.9	169.1	55.1	0	0	0	0	108.3	S160 P164	S160-S162 PolarHBondContact O-N 2.88Å; S162-P164 WeakPolarHBondContact O-CD 3.23Å
163	Y	88.9	Confident	73	Confident	38 Å²	38	95.1 Å²	95.1	15%	0.149	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-79.9	116.9	174.9	-68.2	-100.6	0	0	0	108.3	T124 E127 K128 R161 F183 W184 F187	T124-Y163 HydrophobicContact CG2-CD1 4.1Å; T124-Y163 HydrophobicContact CG2-CD2 3.87Å; T124-Y163 HydrophobicContact CG2-CG 3.58Å; E127-Y163 HydrophobicContact CB-CE1 4.16Å; E127-Y163 WeakPolarHBondContact CB-OH 3.29Å; K128-Y163 HydrophobicContact CG-CE2 4.41Å; R161-Y163 WeakPolarHBondContact O-CD2 3.3Å; R161-Y163 PolarHBondContact O-N 3.08Å; Y163-F183 AromaticContact CD1-CE1 3.41Å; Y163-F183 HydrophobicContact CD1-CE1 3.41Å; Y163-F183 VanDerWaalsContact CD1-CE1 3.41Å; Y163-F183 AromaticContact CD1-CZ 3.5Å; Y163-F183 HydrophobicContact CD1-CZ 3.5Å; Y163-F183 AromaticContact CE1-CE1 3.88Å; Y163-F183 HydrophobicContact CE1-CE1 3.88Å; Y163-F183 AromaticContact CE1-CZ 3.71Å; Y163-F183 HydrophobicContact CE1-CZ 3.71Å; Y163-F183 HydrophobicContact CG-CE1 4.16Å; Y163-F183 HydrophobicContact CG-CZ 4.03Å; Y163-W184 HydrophobicContact CD1-CH2 4.29Å; Y163-W184 HydrophobicContact CD1-CZ2 4.16Å; Y163-F187 HydrophobicContact CE1-CE2 4.31Å
164	P	91.7	Very high	74.8	Confident	30 Å²	30	91.9 Å²	91.9	20%	0.195	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-66.5	138.3	179.7	-18.7	32.1	0	0	0	111	S162 F180 F183	S162-P164 WeakPolarHBondContact O-CD 3.23Å; P164-F180 HydrophobicContact CB-CB 4.42Å; P164-F180 WeakPolarHBondContact O-CD2 3.21Å; P164-F183 VanDerWaalsContact CD-CG 3.47Å; P164-F183 HydrophobicContact CG-CB 3.77Å; P164-F183 HydrophobicContact CG-CD1 4.4Å; P164-F183 HydrophobicContact CG-CD2 4.45Å; P164-F183 HydrophobicContact CG-CG 3.97Å
165	P	91.4	Very high	76.6	Confident	100 Å²	100	90.1 Å²	90.1	65%	0.649	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-72.3	155.4	175.5	31.2	-34.9	0	0	0	111.6	F180	P165-F180 WeakPolarHBondContact O-CD2 3.41Å
166	F	92.4	Very high	78.7	Confident	6 Å²	6	81.2 Å²	81.2	3%	0.026	46%	0.459	C	S	.	.			trans	-73.1	-26.1	-179.9	-172.2	-120.3	0	0	0	114.1	F112 Y113 A117 F120 F180 V239 R245	F112-F166 HydrophobicContact CE1-CE1 4.3Å; F112-F166 AromaticContact CE1-CZ 3.97Å; F112-F166 HydrophobicContact CE1-CZ 3.97Å; Y113-F166 AromaticContact CD1-CE1 3.88Å; Y113-F166 HydrophobicContact CD1-CE1 3.88Å; A117-F166 HydrophobicContact CB-CB 4.09Å; A117-F166 HydrophobicContact CB-CD1 4.16Å; F120-F166 HydrophobicContact CD2-CD2 4.41Å; F166-F180 HydrophobicContact CB-CD2 4.22Å; F166-F180 HydrophobicContact CB-CE2 3.85Å; F166-F180 HydrophobicContact CB-CZ 4.3Å; F166-F180 AromaticContact CD2-CD1 3.77Å; F166-F180 HydrophobicContact CD2-CD1 3.77Å; F166-F180 HydrophobicContact CD2-CD2 4.15Å; F166-F180 AromaticContact CD2-CE1 3.39Å; F166-F180 HydrophobicContact CD2-CE1 3.39Å; F166-F180 AromaticContact CD2-CE2 3.76Å; F166-F180 HydrophobicContact CD2-CE2 3.76Å; F166-F180 HydrophobicContact CD2-CG 4.17Å; F166-F180 AromaticContact CD2-CZ 3.41Å; F166-F180 HydrophobicContact CD2-CZ 3.41Å; F166-F180 VanDerWaalsContact CD2-CZ 3.41Å; F166-F180 HydrophobicContact CE2-CD1 4.19Å; F166-F180 AromaticContact CE2-CE1 3.76Å; F166-F180 HydrophobicContact CE2-CE1 3.76Å; F166-F180 HydrophobicContact CE2-CZ 4.13Å; F166-F180 HydrophobicContact CG-CE2 4.3Å; F166-F180 HydrophobicContact CG-CZ 4.27Å; F166-V239 HydrophobicContact CE2-CG1 4.04Å; F166-V239 HydrophobicContact CZ-CG1 3.86Å; F166-R245 PolarHBondContact O-NH1 3.46Å; F166-R245 PolarHBondContact O-NH2 3.1Å
167	G	89.9	Confident	81.1	Confident	26 Å²	26	76.8 Å²	76.8	27%	0.268	43%	0.428	S	S	.	.			trans	75.6	-166.9	-174.1	0	0	0	0	0	113.6	S171	G167-S171 WeakPolarHBondContact CA-OG 3.35Å
168	C	89.8	Confident	83.5	Confident	45 Å²	45	73.9 Å²	73.9	30%	0.304	40%	0.395	S	S	.	.			trans	-119	-179.6	179.6	60	0	0	0	0	111.4	D107 S170 S171 R245	D107-C168 WeakPolarHBondContact OD1-CA 3.5Å; D107-C168 WeakPolarHBondContact OD1-CB 3.4Å; C168-S170 PolarHBondContact O-N 3.44Å; C168-S170 PolarHBondContact SG-OG 3.5Å; C168-S171 PolarHBondContact N-OG 3.41Å; C168-S171 WeakPolarHBondContact O-CB 3.35Å; C168-S171 PolarHBondContact O-N 2.68Å; C168-S171 VanDerWaalsContact O-N 3.11Å; C168-S171 PolarHBondContact O-OG 2.89Å; C168-S171 PolarHBondContact SG-OG 2.96Å; C168-R245 PolarHBondContact O-NH1 2.86Å
169	S	90.2	Very high	85.8	Confident	48 Å²	48	67.3 Å²	67.3	34%	0.336	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-36.1	-179.1	68.9	0	0	0	0	114.2	D107 Y113	D107-S169 PolarHBondContact OD1-N 3.36Å; D107-S169 VanDerWaalsContact OD2-CB 3.22Å; D107-S169 WeakPolarHBondContact OD2-CB 3.4Å; D107-S169 PolarHBondContact OD2-N 3.48Å; D107-S169 PolarHBondContact OD2-OG 3.48Å; Y113-S169 VanDerWaalsContact CE2-CA 3.48Å
170	S	89.6	Confident	87.9	Confident	101 Å²	101	58 Å²	58	71%	0.706	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	3.4	-177.3	61.1	0	0	0	0	114.6	C168	C168-S170 PolarHBondContact O-N 3.44Å; C168-S170 PolarHBondContact SG-OG 3.5Å
171	S	90	Very high	89.7	Confident	25 Å²	25	55.3 Å²	55.3	18%	0.175	32%	0.318	C	S	.	.			trans	-66.8	136.2	-177.6	-65.4	0	0	0	0	112.7	G167 C168 Y173	G167-S171 WeakPolarHBondContact CA-OG 3.35Å; C168-S171 PolarHBondContact N-OG 3.41Å; C168-S171 WeakPolarHBondContact O-CB 3.35Å; C168-S171 PolarHBondContact O-N 2.68Å; C168-S171 VanDerWaalsContact O-N 3.11Å; C168-S171 PolarHBondContact O-OG 2.89Å; C168-S171 PolarHBondContact SG-OG 2.96Å; S171-Y173 PolarHBondContact O-N 2.89Å
172	S	91	Very high	91.1	Very high	56 Å²	56	54.6 Å²	54.6	39%	0.392	32%	0.322	S	S	.	.			trans	-58.7	131.5	179.1	173.8	0	0	0	0	112.2	K174 V176 V177	S172-K174 PolarHBondContact O-N 3.42Å; S172-V176 PolarHBondContact O-N 2.93Å; S172-V176 VanDerWaalsContact O-N 3.08Å; S172-V177 PolarHBondContact O-N 3.39Å
173	Y	90.3	Very high	91.7	Very high	62 Å²	62	51.8 Å²	51.8	24%	0.243	30%	0.297	C	S	.	.	I	π-helix	trans	-61.7	-46.1	179.6	-177	-88.5	0	0	0	111.9	S171 E175 V177 A178 V246 E249	S171-Y173 PolarHBondContact O-N 2.89Å; Y173-E175 PolarHBondContact O-N 3.49Å; Y173-V177 HydrophobicContact CD2-CB 3.97Å; Y173-V177 HydrophobicContact CD2-CG1 3.88Å; Y173-V177 HydrophobicContact CE2-CB 4.5Å; Y173-V177 HydrophobicContact CE2-CG1 4.07Å; Y173-V177 HydrophobicContact CG-CB 4.44Å; Y173-V177 PolarHBondContact O-N 2.91Å; Y173-A178 HydrophobicContact CD1-CB 4.22Å; Y173-A178 HydrophobicContact CE1-CB 3.88Å; Y173-A178 VanDerWaalsContact O-CB 3.27Å; Y173-A178 WeakPolarHBondContact O-CB 3.35Å; Y173-A178 PolarHBondContact O-N 3.41Å; Y173-V246 HydrophobicContact CE2-CB 4.39Å; Y173-V246 HydrophobicContact CE2-CG2 4.09Å; Y173-E249 HydrophobicContact CD1-CB 4.24Å; Y173-E249 HydrophobicContact CD1-CG 3.64Å; Y173-E249 HydrophobicContact CD2-CB 3.79Å; Y173-E249 HydrophobicContact CD2-CG 4.1Å; Y173-E249 HydrophobicContact CE1-CB 4.3Å; Y173-E249 HydrophobicContact CE1-CG 3.55Å; Y173-E249 HydrophobicContact CE2-CB 3.85Å; Y173-E249 HydrophobicContact CE2-CG 4.01Å; Y173-E249 HydrophobicContact CG-CB 3.99Å; Y173-E249 HydrophobicContact CG-CG 3.91Å
174	K	90.7	Very high	92	Very high	134 Å²	134	50 Å²	50	58%	0.583	29%	0.29	S	S	*	.	I	π-helix	trans	-69.3	-35.9	-174.2	-172.7	171.1	179.8	169.3	0	112.6	S172 P179 E509	S172-K174 PolarHBondContact O-N 3.42Å; K174-P179 WeakPolarHBondContact O-CD 3.12Å; K174-E509 IonicContact NZ-OE1 3.56Å; K174-E509 PolarHBondContact NZ-OE1 3.46Å; K174-E509 IonicContact NZ-OE2 2.99Å; K174-E509 PolarHBondContact NZ-OE2 3.21Å
175	E	90.8	Very high	92.1	Very high	154 Å²	154	52 Å²	52	72%	0.72	30%	0.297	S	S	*	.	I	π-helix	trans	-93.9	-34.7	-170.9	-63.5	-178.8	169.8	0	0	113.7	Y173 P179	Y173-E175 PolarHBondContact O-N 3.49Å; E175-P179 WeakPolarHBondContact O-CG 3.39Å
176	V	91.9	Very high	92.2	Very high	41 Å²	41	52.9 Å²	52.9	25%	0.248	30%	0.295	C	S	.	.	I	π-helix	trans	-113.6	-57.2	-173.7	-178.5	0	0	0	0	110.8	S172 P179 F180	S172-V176 PolarHBondContact O-N 2.93Å; S172-V176 VanDerWaalsContact O-N 3.08Å; V176-P179 WeakPolarHBondContact O-CD 3.41Å; V176-F180 VanDerWaalsContact O-CB 3.22Å; V176-F180 WeakPolarHBondContact O-CB 3.4Å; V176-F180 PolarHBondContact O-N 3.24Å
177	V	92.8	Very high	92.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.295	C	S	.	.	I	π-helix	trans	-68.8	-45.1	-169.3	-173	0	0	0	0	111.8	S172 Y173 F180 Y181 R245 V246	S172-V177 PolarHBondContact O-N 3.39Å; Y173-V177 HydrophobicContact CD2-CB 3.97Å; Y173-V177 HydrophobicContact CD2-CG1 3.88Å; Y173-V177 HydrophobicContact CE2-CB 4.5Å; Y173-V177 HydrophobicContact CE2-CG1 4.07Å; Y173-V177 HydrophobicContact CG-CB 4.44Å; Y173-V177 PolarHBondContact O-N 2.91Å; V177-F180 WeakPolarHBondContact O-CB 3.35Å; V177-F180 PolarHBondContact O-N 3.27Å; V177-Y181 HydrophobicContact CG1-CD2 3.62Å; V177-Y181 HydrophobicContact CG1-CE2 3.42Å; V177-Y181 VanDerWaalsContact CG1-CE2 3.42Å; V177-Y181 WeakPolarHBondContact O-CD2 3.39Å; V177-Y181 PolarHBondContact O-N 3.11Å; V177-R245 HydrophobicContact CG2-CB 4.43Å; V177-V246 HydrophobicContact CG1-CG2 3.97Å
178	A	92.3	Very high	92.3	Very high	21 Å²	21	55.9 Å²	55.9	17%	0.174	30%	0.302	C	S	.	.	H	α-helix	trans	-66.2	-49.7	179.9	0	0	0	0	0	112.1	Y173 F180 Y181 L182	Y173-A178 HydrophobicContact CD1-CB 4.22Å; Y173-A178 HydrophobicContact CE1-CB 3.88Å; Y173-A178 VanDerWaalsContact O-CB 3.27Å; Y173-A178 WeakPolarHBondContact O-CB 3.35Å; Y173-A178 PolarHBondContact O-N 3.41Å; A178-F180 VanDerWaalsContact C-N 3.28Å; A178-F180 PolarHBondContact O-N 3.19Å; A178-Y181 PolarHBondContact O-N 3.38Å; A178-L182 WeakPolarHBondContact O-CB 3.36Å; A178-L182 WeakPolarHBondContact O-CG 3.41Å; A178-L182 PolarHBondContact O-N 3.16Å
179	P	93.7	Very high	92.4	Very high	53 Å²	53	54.4 Å²	54.4	34%	0.344	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-35.6	174	-28.4	39.1	0	0	0	113.6	K174 E175 V176 F183	K174-P179 WeakPolarHBondContact O-CD 3.12Å; E175-P179 WeakPolarHBondContact O-CG 3.39Å; V176-P179 WeakPolarHBondContact O-CD 3.41Å; P179-F183 WeakPolarHBondContact O-CB 3.31Å; P179-F183 PolarHBondContact O-N 3.43Å; P179-F183 VanDerWaalsContact O-N 3.1Å
180	F	95.2	Very high	92.2	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-57.9	-59.7	172.9	173.3	-87.5	0	0	0	111.2	F120 P164 P165 F166 V176 V177 A178 L182 F183 W184	F120-F180 HydrophobicContact CB-CE2 4.25Å; F120-F180 HydrophobicContact CB-CZ 4.37Å; F120-F180 HydrophobicContact CD1-CE2 4.45Å; F120-F180 AromaticContact CD1-CZ 3.94Å; F120-F180 HydrophobicContact CD1-CZ 3.94Å; F120-F180 HydrophobicContact CD2-CE1 4.49Å; F120-F180 HydrophobicContact CD2-CE2 4.15Å; F120-F180 AromaticContact CD2-CZ 3.5Å; F120-F180 HydrophobicContact CD2-CZ 3.5Å; F120-F180 VanDerWaalsContact CD2-CZ 3.5Å; F120-F180 HydrophobicContact CE1-CZ 4.06Å; F120-F180 HydrophobicContact CE2-CE1 4.27Å; F120-F180 AromaticContact CE2-CZ 3.65Å; F120-F180 HydrophobicContact CE2-CZ 3.65Å; F120-F180 HydrophobicContact CG-CE2 4.04Å; F120-F180 AromaticContact CG-CZ 3.67Å; F120-F180 HydrophobicContact CG-CZ 3.67Å; F120-F180 HydrophobicContact CZ-CE1 4.44Å; F120-F180 AromaticContact CZ-CZ 3.93Å; F120-F180 HydrophobicContact CZ-CZ 3.93Å; P164-F180 HydrophobicContact CB-CB 4.42Å; P164-F180 WeakPolarHBondContact O-CD2 3.21Å; P165-F180 WeakPolarHBondContact O-CD2 3.41Å; F166-F180 HydrophobicContact CB-CD2 4.22Å; F166-F180 HydrophobicContact CB-CE2 3.85Å; F166-F180 HydrophobicContact CB-CZ 4.3Å; F166-F180 AromaticContact CD2-CD1 3.77Å; F166-F180 HydrophobicContact CD2-CD1 3.77Å; F166-F180 HydrophobicContact CD2-CD2 4.15Å; F166-F180 AromaticContact CD2-CE1 3.39Å; F166-F180 HydrophobicContact CD2-CE1 3.39Å; F166-F180 AromaticContact CD2-CE2 3.76Å; F166-F180 HydrophobicContact CD2-CE2 3.76Å; F166-F180 HydrophobicContact CD2-CG 4.17Å; F166-F180 AromaticContact CD2-CZ 3.41Å; F166-F180 HydrophobicContact CD2-CZ 3.41Å; F166-F180 VanDerWaalsContact CD2-CZ 3.41Å; F166-F180 HydrophobicContact CE2-CD1 4.19Å; F166-F180 AromaticContact CE2-CE1 3.76Å; F166-F180 HydrophobicContact CE2-CE1 3.76Å; F166-F180 HydrophobicContact CE2-CZ 4.13Å; F166-F180 HydrophobicContact CG-CE2 4.3Å; F166-F180 HydrophobicContact CG-CZ 4.27Å; V176-F180 VanDerWaalsContact O-CB 3.22Å; V176-F180 WeakPolarHBondContact O-CB 3.4Å; V176-F180 PolarHBondContact O-N 3.24Å; V177-F180 WeakPolarHBondContact O-CB 3.35Å; V177-F180 PolarHBondContact O-N 3.27Å; A178-F180 VanDerWaalsContact C-N 3.28Å; A178-F180 PolarHBondContact O-N 3.19Å; F180-L182 VanDerWaalsContact C-N 3.32Å; F180-L182 PolarHBondContact O-N 2.98Å; F180-F183 PolarHBondContact O-N 3.49Å; F180-W184 AromaticContact CD2-CD1 3.4Å; F180-W184 VanDerWaalsContact CD2-CD1 3.4Å; F180-W184 AromaticContact CD2-NE1 3.47Å; F180-W184 AromaticContact CE1-CD1 3.86Å; F180-W184 HydrophobicContact CE1-CG 4.39Å; F180-W184 AromaticContact CE2-CD1 3.18Å; F180-W184 HydrophobicContact CE2-CG 4.16Å; F180-W184 AromaticContact CE2-NE1 3.08Å; F180-W184 AromaticContact CG-CD1 3.85Å; F180-W184 AromaticContact CZ-CD1 3.38Å; F180-W184 AromaticContact CZ-CG 3.99Å; F180-W184 HydrophobicContact CZ-CG 3.99Å; F180-W184 AromaticContact CZ-NE1 3.67Å; F180-W184 PolarHBondContact O-N 3.31Å
181	Y	95.2	Very high	92.1	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-38.9	-177.3	-76.5	-64.7	0	0	0	112.3	V177 A178 F183 W184 E185 V236 K240 D243 V246	V177-Y181 HydrophobicContact CG1-CD2 3.62Å; V177-Y181 HydrophobicContact CG1-CE2 3.42Å; V177-Y181 VanDerWaalsContact CG1-CE2 3.42Å; V177-Y181 WeakPolarHBondContact O-CD2 3.39Å; V177-Y181 PolarHBondContact O-N 3.11Å; A178-Y181 PolarHBondContact O-N 3.38Å; Y181-F183 VanDerWaalsContact C-N 3.29Å; Y181-F183 PolarHBondContact O-N 2.89Å; Y181-W184 PolarHBondContact O-N 3.19Å; Y181-E185 VanDerWaalsContact O-CB 3.25Å; Y181-E185 WeakPolarHBondContact O-CB 3.31Å; Y181-E185 WeakPolarHBondContact O-CG 3.16Å; Y181-E185 PolarHBondContact O-N 2.57Å; Y181-V236 HydrophobicContact CD1-CG1 3.81Å; Y181-V236 HydrophobicContact CE1-CG1 4.29Å; Y181-K240 HydrophobicContact CD1-CB 3.89Å; Y181-K240 HydrophobicContact CD1-CD 4.13Å; Y181-K240 HydrophobicContact CD1-CG 4.05Å; Y181-K240 HydrophobicContact CE1-CB 3.55Å; Y181-K240 HydrophobicContact CE1-CG 4.04Å; Y181-K240 HydrophobicContact CG-CD 4.28Å; Y181-K240 HydrophobicContact CG-CG 4.33Å; Y181-D243 WeakPolarHBondContact OH-CB 3.48Å; Y181-D243 PolarHBondContact OH-OD2 3.39Å; Y181-V246 HydrophobicContact CD2-CG2 3.94Å; Y181-V246 HydrophobicContact CE2-CG2 3.31Å
182	L	93.5	Very high	91.9	Very high	101 Å²	101	51.1 Å²	51.1	53%	0.529	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-38	176.9	-72.9	172.2	0	0	0	112.6	A178 F180 I186	A178-L182 WeakPolarHBondContact O-CB 3.36Å; A178-L182 WeakPolarHBondContact O-CG 3.41Å; A178-L182 PolarHBondContact O-N 3.16Å; F180-L182 VanDerWaalsContact C-N 3.32Å; F180-L182 PolarHBondContact O-N 2.98Å; L182-I186 WeakPolarHBondContact O-CG1 2.98Å
183	F	94.1	Very high	91.7	Very high	41 Å²	41	49.1 Å²	49.1	18%	0.18	24%	0.243	C	C	.	.	H	α-helix	trans	-72	-46.4	176.6	175.5	-90.7	0	0	0	112	Y163 P164 P179 F180 Y181 I186 F187	Y163-F183 AromaticContact CD1-CE1 3.41Å; Y163-F183 HydrophobicContact CD1-CE1 3.41Å; Y163-F183 VanDerWaalsContact CD1-CE1 3.41Å; Y163-F183 AromaticContact CD1-CZ 3.5Å; Y163-F183 HydrophobicContact CD1-CZ 3.5Å; Y163-F183 AromaticContact CE1-CE1 3.88Å; Y163-F183 HydrophobicContact CE1-CE1 3.88Å; Y163-F183 AromaticContact CE1-CZ 3.71Å; Y163-F183 HydrophobicContact CE1-CZ 3.71Å; Y163-F183 HydrophobicContact CG-CE1 4.16Å; Y163-F183 HydrophobicContact CG-CZ 4.03Å; P164-F183 VanDerWaalsContact CD-CG 3.47Å; P164-F183 HydrophobicContact CG-CB 3.77Å; P164-F183 HydrophobicContact CG-CD1 4.4Å; P164-F183 HydrophobicContact CG-CD2 4.45Å; P164-F183 HydrophobicContact CG-CG 3.97Å; P179-F183 WeakPolarHBondContact O-CB 3.31Å; P179-F183 PolarHBondContact O-N 3.43Å; P179-F183 VanDerWaalsContact O-N 3.1Å; F180-F183 PolarHBondContact O-N 3.49Å; Y181-F183 VanDerWaalsContact C-N 3.29Å; Y181-F183 PolarHBondContact O-N 2.89Å; F183-I186 WeakPolarHBondContact O-CG1 3.46Å; F183-I186 PolarHBondContact O-N 2.91Å; F183-F187 PolarHBondContact O-N 3.46Å
184	W	95	Very high	91.6	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-78	-24.8	-173.1	-75.2	103.5	0	0	0	113.6	F120 I123 T124 Y163 F180 Y181 I186 F187 I232 V236	F120-W184 HydrophobicContact CB-CZ2 4.09Å; F120-W184 AromaticContact CD1-CD2 3.82Å; F120-W184 HydrophobicContact CD1-CD2 3.82Å; F120-W184 AromaticContact CD1-CE2 3.82Å; F120-W184 AromaticContact CD1-CE3 3.85Å; F120-W184 HydrophobicContact CD1-CE3 3.85Å; F120-W184 HydrophobicContact CD1-CG 4.49Å; F120-W184 AromaticContact CD1-CH2 3.91Å; F120-W184 HydrophobicContact CD1-CH2 3.91Å; F120-W184 AromaticContact CD1-CZ2 3.87Å; F120-W184 HydrophobicContact CD1-CZ2 3.87Å; F120-W184 AromaticContact CD1-CZ3 3.9Å; F120-W184 HydrophobicContact CD1-CZ3 3.9Å; F120-W184 HydrophobicContact CE1-CD2 4.08Å; F120-W184 HydrophobicContact CE1-CE3 4Å; F120-W184 HydrophobicContact CE1-CG 4.47Å; F120-W184 HydrophobicContact CE1-CZ3 4.38Å; F120-W184 HydrophobicContact CG-CZ2 4.41Å; I123-W184 HydrophobicContact CB-CH2 4.14Å; I123-W184 HydrophobicContact CB-CZ3 4.41Å; I123-W184 HydrophobicContact CG2-CH2 3.79Å; I123-W184 HydrophobicContact CG2-CZ3 3.71Å; T124-W184 WeakPolarHBondContact OG1-CZ2 3.37Å; Y163-W184 HydrophobicContact CD1-CH2 4.29Å; Y163-W184 HydrophobicContact CD1-CZ2 4.16Å; F180-W184 AromaticContact CD2-CD1 3.4Å; F180-W184 VanDerWaalsContact CD2-CD1 3.4Å; F180-W184 AromaticContact CD2-NE1 3.47Å; F180-W184 AromaticContact CE1-CD1 3.86Å; F180-W184 HydrophobicContact CE1-CG 4.39Å; F180-W184 AromaticContact CE2-CD1 3.18Å; F180-W184 HydrophobicContact CE2-CG 4.16Å; F180-W184 AromaticContact CE2-NE1 3.08Å; F180-W184 AromaticContact CG-CD1 3.85Å; F180-W184 AromaticContact CZ-CD1 3.38Å; F180-W184 AromaticContact CZ-CG 3.99Å; F180-W184 HydrophobicContact CZ-CG 3.99Å; F180-W184 AromaticContact CZ-NE1 3.67Å; F180-W184 PolarHBondContact O-N 3.31Å; Y181-W184 PolarHBondContact O-N 3.19Å; W184-I186 VanDerWaalsContact C-N 3.29Å; W184-I186 PolarHBondContact O-N 3.29Å; W184-F187 HydrophobicContact CE3-CB 4.34Å; W184-F187 AromaticContact CE3-CD2 3.55Å; W184-F187 HydrophobicContact CE3-CD2 3.55Å; W184-F187 HydrophobicContact CE3-CE2 4.15Å; W184-F187 HydrophobicContact CE3-CG 4.13Å; W184-F187 HydrophobicContact CH2-CD2 4.43Å; W184-F187 HydrophobicContact CH2-CE2 4.29Å; W184-F187 AromaticContact CZ3-CD2 3.48Å; W184-F187 HydrophobicContact CZ3-CD2 3.48Å; W184-F187 VanDerWaalsContact CZ3-CD2 3.48Å; W184-F187 AromaticContact CZ3-CE2 3.57Å; W184-F187 HydrophobicContact CZ3-CE2 3.57Å; W184-F187 HydrophobicContact CZ3-CG 4.32Å; W184-F187 HydrophobicContact CZ3-CZ 4.49Å; W184-F187 WeakPolarHBondContact O-CB 3.38Å; W184-F187 PolarHBondContact O-N 3.4Å; W184-I232 HydrophobicContact CE3-CG2 3.9Å; W184-I232 HydrophobicContact CZ3-CG2 4.03Å; W184-V236 HydrophobicContact CB-CB 4.42Å; W184-V236 HydrophobicContact CB-CG1 3.92Å; W184-V236 HydrophobicContact CB-CG2 3.59Å; W184-V236 HydrophobicContact CG-CG2 4.43Å
185	E	93.5	Very high	91.4	Very high	72 Å²	72	47.3 Å²	47.3	34%	0.336	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-32.8	171.8	-79.8	176.5	178	0	0	112.7	Y181 R233 V236 K240	Y181-E185 VanDerWaalsContact O-CB 3.25Å; Y181-E185 WeakPolarHBondContact O-CB 3.31Å; Y181-E185 WeakPolarHBondContact O-CG 3.16Å; Y181-E185 PolarHBondContact O-N 2.57Å; E185-R233 WeakPolarHBondContact O-CG 3.22Å; E185-V236 HydrophobicContact CG-CG1 4.04Å; E185-K240 WeakPolarHBondContact OE1-CD 3.26Å; E185-K240 WeakPolarHBondContact OE1-CE 3.5Å; E185-K240 IonicContact OE1-NZ 3.34Å; E185-K240 PolarHBondContact OE1-NZ 2.86Å; E185-K240 IonicContact OE2-NZ 3.09Å
186	I	93.7	Very high	91.3	Very high	119 Å²	119	42.6 Å²	42.6	61%	0.61	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	18.6	176.6	67.6	177.6	0	0	0	112.3	L182 F183 W184 E188	L182-I186 WeakPolarHBondContact O-CG1 2.98Å; F183-I186 WeakPolarHBondContact O-CG1 3.46Å; F183-I186 PolarHBondContact O-N 2.91Å; W184-I186 VanDerWaalsContact C-N 3.29Å; W184-I186 PolarHBondContact O-N 3.29Å; I186-E188 PolarHBondContact O-N 2.75Å
187	F	93.4	Very high	91.2	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.018	22%	0.224	C	C	.	.			trans	-53	137.1	-174.7	176.5	-89.3	0	0	0	112.2	I123 E127 Y163 F183 W184 I232 R233	I123-F187 HydrophobicContact CG2-CE2 4.45Å; I123-F187 HydrophobicContact CG2-CZ 4.38Å; E127-F187 HydrophobicContact CG-CE2 3.99Å; E127-F187 HydrophobicContact CG-CZ 3.7Å; Y163-F187 HydrophobicContact CE1-CE2 4.31Å; F183-F187 PolarHBondContact O-N 3.46Å; W184-F187 HydrophobicContact CE3-CB 4.34Å; W184-F187 AromaticContact CE3-CD2 3.55Å; W184-F187 HydrophobicContact CE3-CD2 3.55Å; W184-F187 HydrophobicContact CE3-CE2 4.15Å; W184-F187 HydrophobicContact CE3-CG 4.13Å; W184-F187 HydrophobicContact CH2-CD2 4.43Å; W184-F187 HydrophobicContact CH2-CE2 4.29Å; W184-F187 AromaticContact CZ3-CD2 3.48Å; W184-F187 HydrophobicContact CZ3-CD2 3.48Å; W184-F187 VanDerWaalsContact CZ3-CD2 3.48Å; W184-F187 AromaticContact CZ3-CE2 3.57Å; W184-F187 HydrophobicContact CZ3-CE2 3.57Å; W184-F187 HydrophobicContact CZ3-CG 4.32Å; W184-F187 HydrophobicContact CZ3-CZ 4.49Å; W184-F187 WeakPolarHBondContact O-CB 3.38Å; W184-F187 PolarHBondContact O-N 3.4Å; F187-I232 HydrophobicContact CB-CG2 4.16Å; F187-I232 HydrophobicContact CD1-CB 3.88Å; F187-I232 HydrophobicContact CD1-CD1 3.85Å; F187-I232 HydrophobicContact CD1-CG1 4.46Å; F187-I232 HydrophobicContact CD1-CG2 3.66Å; F187-I232 HydrophobicContact CD2-CG2 4.29Å; F187-I232 HydrophobicContact CE1-CB 4.16Å; F187-I232 HydrophobicContact CE1-CD1 3.2Å; F187-I232 HydrophobicContact CE1-CG1 4.24Å; F187-I232 HydrophobicContact CE1-CG2 4.13Å; F187-I232 HydrophobicContact CE2-CD1 4.43Å; F187-I232 HydrophobicContact CG-CB 4.48Å; F187-I232 HydrophobicContact CG-CG2 3.76Å; F187-I232 HydrophobicContact CZ-CD1 3.53Å; F187-R233 PolarHBondContact O-NE 3.03Å; F187-R233 PolarHBondContact O-NH2 3.3Å
188	E	91.9	Very high	91.1	Very high	90 Å²	90	51 Å²	51	42%	0.421	26%	0.255	S	S	.	.			trans	-137.6	118	175.6	-68.6	173.8	157.5	0	0	108.5	R161 I186	R161-E188 IonicContact CZ-OE2 3.68Å; R161-E188 IonicContact NH1-OE2 2.68Å; R161-E188 PolarHBondContact NH1-OE2 3.32Å; R161-E188 IonicContact NH2-OE2 2.54Å; R161-E188 PolarHBondContact NH2-OE2 3.26Å; R161-E188 VanDerWaalsContact NH2-OE2 3.11Å; I186-E188 PolarHBondContact O-N 2.75Å
189	T	91.1	Very high	91	Very high	14 Å²	14	54.5 Å²	54.5	9%	0.086	27%	0.265	C	S	.	.			trans	-61.3	142.9	175.4	-174.6	0	0	0	0	111.6	E127 K191 Y193 I225 R228 N229	E127-T189 VanDerWaalsContact CD-OG1 3.32Å; E127-T189 VanDerWaalsContact OE1-CB 3.29Å; E127-T189 WeakPolarHBondContact OE1-CB 3.46Å; E127-T189 PolarHBondContact OE1-OG1 2.64Å; E127-T189 VanDerWaalsContact OE2-CA 3.26Å; E127-T189 WeakPolarHBondContact OE2-CA 3.46Å; E127-T189 PolarHBondContact OE2-OG1 3.39Å; T189-K191 WeakPolarHBondContact OG1-CB 3.46Å; T189-K191 PolarHBondContact OG1-N 3.09Å; T189-Y193 HydrophobicContact CG2-CE2 3.77Å; T189-I225 HydrophobicContact CG2-CB 4.46Å; T189-I225 HydrophobicContact CG2-CG1 4.34Å; T189-I225 HydrophobicContact CG2-CG2 3.96Å; T189-R228 HydrophobicContact CG2-CB 4.48Å; T189-R228 HydrophobicContact CG2-CG 4.31Å; T189-N229 VanDerWaalsContact CG2-OD1 3.27Å; T189-N229 WeakPolarHBondContact CG2-OD1 2.94Å; T189-N229 PolarHBondContact N-OD1 3.31Å
190	K	86.5	Confident	90.8	Very high	55 Å²	55	55.2 Å²	55.2	24%	0.239	27%	0.266	C	S	.	.			trans	-89.2	-6.6	171.3	-63.4	-53.4	-176.2	-164.6	0	112.8	E127 A131 T192	E127-K190 PolarHBondContact OE2-N 3.26Å; A131-K190 HydrophobicContact CB-CB 4.26Å; A131-K190 HydrophobicContact CB-CG 4.37Å; K190-T192 PolarHBondContact O-N 3.19Å
191	K	86.6	Confident	90.5	Very high	10 Å²	10	57 Å²	57	4%	0.043	28%	0.277	C	S	.	.			trans	-62.5	133.6	175.2	-71.5	-178.9	166.8	-167.6	0	111	E88 E126 A130 T189 Y193 W195	E88-K191 WeakPolarHBondContact OE1-CE 3.44Å; E88-K191 IonicContact OE1-NZ 2.76Å; E88-K191 PolarHBondContact OE1-NZ 3.21Å; E88-K191 IonicContact OE2-NZ 3.41Å; E88-K191 PolarHBondContact OE2-NZ 2.89Å; E126-K191 VanDerWaalsContact CG-NZ 3.31Å; E126-K191 VanDerWaalsContact OE1-CE 3.25Å; E126-K191 WeakPolarHBondContact OE1-CE 3.43Å; E126-K191 IonicContact OE1-NZ 3.22Å; E126-K191 PolarHBondContact OE1-NZ 2.95Å; A130-K191 HydrophobicContact CB-CB 4.42Å; A130-K191 HydrophobicContact CB-CD 4.49Å; A130-K191 HydrophobicContact CB-CG 3.41Å; A130-K191 VanDerWaalsContact CB-CG 3.41Å; T189-K191 WeakPolarHBondContact OG1-CB 3.46Å; T189-K191 PolarHBondContact OG1-N 3.09Å; K191-Y193 HydrophobicContact CB-CD2 3.77Å; K191-Y193 HydrophobicContact CB-CE2 3.43Å; K191-Y193 VanDerWaalsContact CB-CE2 3.43Å; K191-Y193 HydrophobicContact CD-CE2 4.42Å; K191-Y193 WeakPolarHBondContact O-CD2 3.5Å; K191-W195 HydrophobicContact CB-CH2 4.1Å; K191-W195 HydrophobicContact CD-CH2 4.38Å; K191-W195 HydrophobicContact CG-CH2 4.37Å
192	T	85.7	Confident	90.2	Very high	41 Å²	41	67 Å²	67	25%	0.252	31%	0.314	S	S	.	.			trans	-80.2	-21.9	-177.5	58	0	0	0	0	112.6	K190 T194 R221	K190-T192 PolarHBondContact O-N 3.19Å; T192-T194 PolarHBondContact O-N 3.2Å; T192-T194 PolarHBondContact OG1-OG1 2.84Å; T192-R221 WeakPolarHBondContact O-CD 3.12Å
193	Y	88.6	Confident	90	Very high	14 Å²	14	68.6 Å²	68.6	6%	0.055	32%	0.323	C	S	.	.			trans	53.8	26.4	-175.6	-71.5	-89	0	0	0	114	T189 K191 W195 V196 R221 A224 I225 R228	T189-Y193 HydrophobicContact CG2-CE2 3.77Å; K191-Y193 HydrophobicContact CB-CD2 3.77Å; K191-Y193 HydrophobicContact CB-CE2 3.43Å; K191-Y193 VanDerWaalsContact CB-CE2 3.43Å; K191-Y193 HydrophobicContact CD-CE2 4.42Å; K191-Y193 WeakPolarHBondContact O-CD2 3.5Å; Y193-W195 AromaticContact CD1-CZ2 3.75Å; Y193-W195 HydrophobicContact CD1-CZ2 3.75Å; Y193-W195 HydrophobicContact CE1-CZ2 4.04Å; Y193-W195 HydrophobicContact CG-CZ2 4.13Å; Y193-W195 PolarHBondContact O-N 2.86Å; Y193-V196 HydrophobicContact CD1-CG2 3.89Å; Y193-V196 WeakPolarHBondContact O-CB 3.5Å; Y193-V196 PolarHBondContact O-N 2.91Å; Y193-R221 WeakPolarHBondContact O-CG 3.36Å; Y193-A224 HydrophobicContact CD1-CB 3.57Å; Y193-A224 HydrophobicContact CE1-CB 4.13Å; Y193-A224 HydrophobicContact CG-CB 3.91Å; Y193-I225 HydrophobicContact CD2-CB 4.34Å; Y193-I225 HydrophobicContact CD2-CD1 4.19Å; Y193-I225 HydrophobicContact CD2-CG1 3.24Å; Y193-I225 HydrophobicContact CE2-CG1 3.8Å; Y193-I225 HydrophobicContact CG-CG1 4.05Å; Y193-R228 HydrophobicContact CE2-CB 4.43Å; Y193-R228 WeakPolarHBondContact OH-CB 3.29Å; Y193-R228 WeakPolarHBondContact OH-CG 3.38Å
194	T	87.7	Confident	89.7	Confident	65 Å²	65	67.7 Å²	67.7	40%	0.399	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-62.3	-23.5	179.8	47.4	0	0	0	0	113.7	T192 V196 E197	T192-T194 PolarHBondContact O-N 3.2Å; T192-T194 PolarHBondContact OG1-OG1 2.84Å; T194-V196 VanDerWaalsContact C-N 3.27Å; T194-V196 PolarHBondContact O-N 3.02Å; T194-E197 WeakPolarHBondContact O-CB 3.35Å; T194-E197 VanDerWaalsContact O-CG 3.25Å; T194-E197 WeakPolarHBondContact O-CG 3.31Å; T194-E197 PolarHBondContact O-N 3.07Å
195	W	86.4	Confident	89.5	Confident	93 Å²	93	75.2 Å²	75.2	35%	0.352	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-73.5	-12.6	174.5	56.9	88.3	0	0	0	114.2	E88 K191 Y193 E197	E88-W195 VanDerWaalsContact CD-CZ2 3.41Å; E88-W195 WeakPolarHBondContact OE1-CH2 3.38Å; E88-W195 WeakPolarHBondContact OE2-CZ2 3.38Å; K191-W195 HydrophobicContact CB-CH2 4.1Å; K191-W195 HydrophobicContact CD-CH2 4.38Å; K191-W195 HydrophobicContact CG-CH2 4.37Å; Y193-W195 AromaticContact CD1-CZ2 3.75Å; Y193-W195 HydrophobicContact CD1-CZ2 3.75Å; Y193-W195 HydrophobicContact CE1-CZ2 4.04Å; Y193-W195 HydrophobicContact CG-CZ2 4.13Å; Y193-W195 PolarHBondContact O-N 2.86Å; W195-E197 PolarHBondContact O-N 3.46Å
196	V	89.2	Confident	89.5	Confident	55 Å²	55	74.5 Å²	74.5	33%	0.333	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-82.8	-3.9	176.4	-171.8	0	0	0	0	111.5	Y193 T194 K198 M220 A224	Y193-V196 HydrophobicContact CD1-CG2 3.89Å; Y193-V196 WeakPolarHBondContact O-CB 3.5Å; Y193-V196 PolarHBondContact O-N 2.91Å; T194-V196 VanDerWaalsContact C-N 3.27Å; T194-V196 PolarHBondContact O-N 3.02Å; V196-K198 PolarHBondContact O-N 3.33Å; V196-M220 HydrophobicContact CG1-CB 4.41Å; V196-A224 HydrophobicContact CG1-CB 4.3Å; V196-A224 HydrophobicContact CG2-CB 4.1Å
197	E	89.8	Confident	89.4	Confident	67 Å²	67	75.4 Å²	75.4	31%	0.313	36%	0.362	S	S	.	.			trans	-68.4	121.7	-179.8	-66.9	-171.2	175.3	0	0	111.4	T194 W195 N217 R221	T194-E197 WeakPolarHBondContact O-CB 3.35Å; T194-E197 VanDerWaalsContact O-CG 3.25Å; T194-E197 WeakPolarHBondContact O-CG 3.31Å; T194-E197 PolarHBondContact O-N 3.07Å; W195-E197 PolarHBondContact O-N 3.46Å; E197-N217 HydrophobicContact CB-CB 4.22Å; E197-N217 HydrophobicContact CG-CB 3.76Å; E197-N217 PolarHBondContact OE2-ND2 3.29Å; E197-N217 VanDerWaalsContact OE2-ND2 3.17Å; E197-R221 HydrophobicContact CG-CG 3.95Å; E197-R221 WeakPolarHBondContact OE1-CD 3.2Å; E197-R221 IonicContact OE1-CZ 3.59Å; E197-R221 IonicContact OE1-NE 2.86Å; E197-R221 PolarHBondContact OE1-NE 3.11Å; E197-R221 IonicContact OE1-NH2 2.76Å
198	K	90.6	Very high	89.4	Confident	151 Å²	151	82.8 Å²	82.8	66%	0.657	40%	0.396	S	S	*	.			trans	-80.9	-32.3	178.9	-173.5	-177.9	175.4	-178.4	0	112.9	V196 M220	V196-K198 PolarHBondContact O-N 3.33Å; K198-M220 HydrophobicContact CB-CE 3.53Å; K198-M220 HydrophobicContact CB-SD 3.68Å; K198-M220 VanDerWaalsContact N-CE 3.31Å
199	Y	90.3	Very high	89.4	Confident	93 Å²	93	82.5 Å²	82.5	37%	0.365	40%	0.395	S	S	.	.	S	Bend	trans	-106.5	124.8	-171.9	-61.1	-77.4	0	0	0	110.5	T201 M213 E216 N217 M220	Y199-T201 PolarHBondContact O-N 3.26Å; Y199-M213 HydrophobicContact CD1-CG 4.35Å; Y199-M213 HydrophobicContact CD1-SD 4.17Å; Y199-M213 HydrophobicContact CG-CB 4.45Å; Y199-M213 HydrophobicContact CG-CG 4.14Å; Y199-M213 HydrophobicContact CG-SD 4.26Å; Y199-E216 HydrophobicContact CD2-CB 4.28Å; Y199-E216 HydrophobicContact CD2-CG 4.16Å; Y199-E216 HydrophobicContact CE2-CB 4.2Å; Y199-E216 HydrophobicContact CE2-CG 3.67Å; Y199-N217 PolarHBondContact N-OD1 3.25Å; Y199-N217 PolarHBondContact O-ND2 3.02Å; Y199-M220 HydrophobicContact CD2-CE 4.07Å; Y199-M220 HydrophobicContact CE2-CE 4.36Å
200	D	89.5	Confident	89.5	Confident	69 Å²	69	87 Å²	87	37%	0.369	41%	0.41	S	S	.	.			trans	-76.7	109.4	166.5	-171	-12.2	0	0	0	109.2	R202 L203	D200-R202 PolarHBondContact O-N 3.44Å; D200-R202 VanDerWaalsContact OD1-CB 3.3Å; D200-R202 WeakPolarHBondContact OD1-CB 3.37Å; D200-R202 VanDerWaalsContact OD1-CG 3.3Å; D200-R202 WeakPolarHBondContact OD1-CG 3.47Å; D200-R202 PolarHBondContact OD1-N 3.29Å; D200-L203 HydrophobicContact CB-CD1 4.06Å; D200-L203 HydrophobicContact CB-CG 4.12Å; D200-L203 PolarHBondContact O-N 3.06Å
201	T	87.5	Confident	89.9	Confident	38 Å²	38	90.9 Å²	90.9	23%	0.233	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-59.2	-15.7	179.5	61.1	0	0	0	0	114	Y199 M213 E214	Y199-T201 PolarHBondContact O-N 3.26Å; T201-M213 HydrophobicContact CG2-CB 4.39Å; T201-E214 HydrophobicContact CG2-CB 4.47Å; T201-E214 HydrophobicContact CG2-CG 3.61Å
202	R	89	Confident	90.2	Very high	215 Å²	215	93.3 Å²	93.3	81%	0.811	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-75.3	-22.5	176.3	-61.1	173.2	-178.2	135.8	-3.3	113.4	D200 A204	D200-R202 PolarHBondContact O-N 3.44Å; D200-R202 VanDerWaalsContact OD1-CB 3.3Å; D200-R202 WeakPolarHBondContact OD1-CB 3.37Å; D200-R202 VanDerWaalsContact OD1-CG 3.3Å; D200-R202 WeakPolarHBondContact OD1-CG 3.47Å; D200-R202 PolarHBondContact OD1-N 3.29Å; R202-A204 PolarHBondContact O-N 3.16Å
203	L	89.7	Confident	90.6	Very high	134 Å²	134	92.4 Å²	92.4	70%	0.702	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-83.9	5.2	-179.9	-60.6	177.2	0	0	0	113.3	D200	D200-L203 HydrophobicContact CB-CD1 4.06Å; D200-L203 HydrophobicContact CB-CG 4.12Å; D200-L203 PolarHBondContact O-N 3.06Å
204	A	88.1	Confident	90.8	Very high	21 Å²	21	96 Å²	96	17%	0.174	46%	0.456	C	S	.	.			trans	-73.9	129.4	-178.8	0	0	0	0	0	112.1	R202 E209 R210 M213	R202-A204 PolarHBondContact O-N 3.16Å; A204-E209 HydrophobicContact CB-CB 4.47Å; A204-E209 HydrophobicContact CB-CG 4.49Å; A204-R210 HydrophobicContact CB-CB 3.55Å; A204-R210 HydrophobicContact CB-CG 4.16Å; A204-M213 VanDerWaalsContact CA-CE 3.43Å; A204-M213 HydrophobicContact CB-CE 3.12Å
205	D	90.1	Very high	91.2	Very high	159 Å²	159	95.8 Å²	95.8	85%	0.85	46%	0.46	S	S	*	.	S	Bend	trans	-79.8	-36.9	174	-70.3	-30.6	0	0	0	111.3	E209	D205-E209 PolarHBondContact N-OE2 2.96Å
206	S	93.5	Very high	91.5	Very high	57 Å²	57	95 Å²	95	40%	0.399	46%	0.46	S	S	.	.	S	Bend	trans	-113.9	148	-176.8	179.1	0	0	0	0	113	Q208 E209 R210	S206-Q208 PolarHBondContact O-N 3.02Å; S206-Q208 PolarHBondContact OG-N 2.96Å; S206-E209 PolarHBondContact N-OE2 3.42Å; S206-E209 WeakPolarHBondContact O-CB 3.2Å; S206-E209 PolarHBondContact O-N 3.09Å; S206-E209 VanDerWaalsContact O-N 3.09Å; S206-R210 PolarHBondContact O-N 2.98Å
207	R	92.6	Very high	91.8	Very high	139 Å²	139	92.4 Å²	92.4	53%	0.525	45%	0.445	S	S	.	.	H	α-helix	trans	-57.4	-32.4	171.2	-177.6	177.9	-177.2	-87.9	10.2	112.8	R211	R207-R211 VanDerWaalsContact NH1-NH1 3.14Å; R207-R211 VanDerWaalsContact NH2-CZ 3.3Å; R207-R211 WeakPolarHBondContact O-CG 3.38Å; R207-R211 PolarHBondContact O-N 2.71Å
208	Q	92.8	Very high	92	Very high	159 Å²	159	92.7 Å²	92.7	74%	0.743	45%	0.449	S	S	*	.	H	α-helix	trans	-69.5	-43	176.7	-66.7	-176.7	6.7	0	0	110.8	S206 R211 A212	S206-Q208 PolarHBondContact O-N 3.02Å; S206-Q208 PolarHBondContact OG-N 2.96Å; Q208-R211 PolarHBondContact O-N 2.8Å; Q208-A212 PolarHBondContact O-N 3.41Å
209	E	92.8	Very high	92.2	Very high	84 Å²	84	93.6 Å²	93.6	39%	0.393	45%	0.448	S	S	.	.	H	α-helix	trans	-63.7	-46.1	176.7	-171.2	-178.2	-163.3	0	0	111.5	A204 D205 S206 R211 A212 M213	A204-E209 HydrophobicContact CB-CB 4.47Å; A204-E209 HydrophobicContact CB-CG 4.49Å; D205-E209 PolarHBondContact N-OE2 2.96Å; S206-E209 PolarHBondContact N-OE2 3.42Å; S206-E209 WeakPolarHBondContact O-CB 3.2Å; S206-E209 PolarHBondContact O-N 3.09Å; S206-E209 VanDerWaalsContact O-N 3.09Å; E209-R211 VanDerWaalsContact C-N 3.29Å; E209-R211 PolarHBondContact O-N 2.99Å; E209-A212 WeakPolarHBondContact O-CB 3.48Å; E209-A212 PolarHBondContact O-N 3.34Å; E209-M213 HydrophobicContact CG-CE 4.19Å; E209-M213 WeakPolarHBondContact O-CG 3.31Å; E209-M213 PolarHBondContact O-N 3.08Å
210	R	93.2	Very high	92.3	Very high	107 Å²	107	90.9 Å²	90.9	40%	0.404	44%	0.439	S	S	.	.	H	α-helix	trans	-55.9	-44.3	175.6	-169.3	171	61.8	-131.2	3.1	112.1	A204 S206 M213 E214	A204-R210 HydrophobicContact CB-CB 3.55Å; A204-R210 HydrophobicContact CB-CG 4.16Å; S206-R210 PolarHBondContact O-N 2.98Å; R210-M213 PolarHBondContact O-N 3.01Å; R210-E214 HydrophobicContact CG-CG 4.47Å; R210-E214 WeakPolarHBondContact CG-OE1 3.49Å; R210-E214 IonicContact NE-OE1 3.81Å; R210-E214 WeakPolarHBondContact O-CB 3.22Å; R210-E214 VanDerWaalsContact O-CG 3.25Å; R210-E214 WeakPolarHBondContact O-CG 3.19Å; R210-E214 PolarHBondContact O-N 3.05Å
211	R	93.7	Very high	92.4	Very high	138 Å²	138	90.6 Å²	90.6	52%	0.521	43%	0.432	S	S	.	.	H	α-helix	trans	-66.1	-37.2	176.4	-76.5	174.8	164.6	-153.9	-14.6	112.8	R207 Q208 E209 A215	R207-R211 VanDerWaalsContact NH1-NH1 3.14Å; R207-R211 VanDerWaalsContact NH2-CZ 3.3Å; R207-R211 WeakPolarHBondContact O-CG 3.38Å; R207-R211 PolarHBondContact O-N 2.71Å; Q208-R211 PolarHBondContact O-N 2.8Å; E209-R211 VanDerWaalsContact C-N 3.29Å; E209-R211 PolarHBondContact O-N 2.99Å; R211-A215 VanDerWaalsContact O-CB 3.23Å; R211-A215 WeakPolarHBondContact O-CB 3.45Å; R211-A215 PolarHBondContact O-N 3.28Å
212	A	94.2	Very high	92.7	Very high	60 Å²	60	92.1 Å²	92.1	50%	0.496	44%	0.438	S	S	.	.	H	α-helix	trans	-66.3	-43.6	175.7	0	0	0	0	0	110.8	Q208 E209 A215 E216	Q208-A212 PolarHBondContact O-N 3.41Å; E209-A212 WeakPolarHBondContact O-CB 3.48Å; E209-A212 PolarHBondContact O-N 3.34Å; A212-A215 PolarHBondContact O-N 2.91Å; A212-E216 PolarHBondContact O-N 3.24Å
213	M	93.7	Very high	93	Very high	23 Å²	23	83.9 Å²	83.9	11%	0.113	41%	0.413	C	S	.	.	H	α-helix	trans	-63.6	-46.7	174.6	-69.3	-162.9	-70	0	0	112.2	Y199 T201 A204 E209 R210 A215 E216 N217	Y199-M213 HydrophobicContact CD1-CG 4.35Å; Y199-M213 HydrophobicContact CD1-SD 4.17Å; Y199-M213 HydrophobicContact CG-CB 4.45Å; Y199-M213 HydrophobicContact CG-CG 4.14Å; Y199-M213 HydrophobicContact CG-SD 4.26Å; T201-M213 HydrophobicContact CG2-CB 4.39Å; A204-M213 VanDerWaalsContact CA-CE 3.43Å; A204-M213 HydrophobicContact CB-CE 3.12Å; E209-M213 HydrophobicContact CG-CE 4.19Å; E209-M213 WeakPolarHBondContact O-CG 3.31Å; E209-M213 PolarHBondContact O-N 3.08Å; R210-M213 PolarHBondContact O-N 3.01Å; M213-A215 VanDerWaalsContact C-N 3.31Å; M213-A215 PolarHBondContact O-N 3.15Å; M213-E216 PolarHBondContact O-N 2.76Å; M213-N217 WeakPolarHBondContact O-CB 3.38Å; M213-N217 PolarHBondContact O-N 3.22Å
214	E	93.3	Very high	93.1	Very high	89 Å²	89	78.3 Å²	78.3	42%	0.416	39%	0.386	S	S	.	.	H	α-helix	trans	-58.7	-41.4	174.3	-76.2	168.5	-170.2	0	0	112	T201 R210 N218	T201-E214 HydrophobicContact CG2-CB 4.47Å; T201-E214 HydrophobicContact CG2-CG 3.61Å; R210-E214 HydrophobicContact CG-CG 4.47Å; R210-E214 WeakPolarHBondContact CG-OE1 3.49Å; R210-E214 IonicContact NE-OE1 3.81Å; R210-E214 WeakPolarHBondContact O-CB 3.22Å; R210-E214 VanDerWaalsContact O-CG 3.25Å; R210-E214 WeakPolarHBondContact O-CG 3.19Å; R210-E214 PolarHBondContact O-N 3.05Å; E214-N218 VanDerWaalsContact O-CB 3.23Å; E214-N218 WeakPolarHBondContact O-CB 3.27Å; E214-N218 PolarHBondContact O-N 2.79Å
215	A	94.3	Very high	93.3	Very high	60 Å²	60	78.7 Å²	78.7	50%	0.496	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-41.7	178.3	0	0	0	0	0	112	R211 A212 M213 N218 R219	R211-A215 VanDerWaalsContact O-CB 3.23Å; R211-A215 WeakPolarHBondContact O-CB 3.45Å; R211-A215 PolarHBondContact O-N 3.28Å; A212-A215 PolarHBondContact O-N 2.91Å; M213-A215 VanDerWaalsContact C-N 3.31Å; M213-A215 PolarHBondContact O-N 3.15Å; A215-N218 PolarHBondContact O-N 2.91Å; A215-R219 WeakPolarHBondContact O-CB 3.49Å; A215-R219 PolarHBondContact O-N 3.25Å
216	E	93.8	Very high	93.5	Very high	76 Å²	76	78.9 Å²	78.9	36%	0.355	37%	0.374	S	S	.	.	H	α-helix	trans	-70.2	-42.6	177.2	-169.9	53.2	-145	0	0	111.5	Y199 A212 M213 N218 R219 M220	Y199-E216 HydrophobicContact CD2-CB 4.28Å; Y199-E216 HydrophobicContact CD2-CG 4.16Å; Y199-E216 HydrophobicContact CE2-CB 4.2Å; Y199-E216 HydrophobicContact CE2-CG 3.67Å; A212-E216 PolarHBondContact O-N 3.24Å; M213-E216 PolarHBondContact O-N 2.76Å; E216-N218 VanDerWaalsContact C-N 3.34Å; E216-N218 PolarHBondContact O-N 3.43Å; E216-R219 WeakPolarHBondContact O-CA 3.33Å; E216-R219 VanDerWaalsContact O-CB 3.31Å; E216-R219 WeakPolarHBondContact O-CB 3.39Å; E216-R219 PolarHBondContact O-N 3.47Å; E216-R219 VanDerWaalsContact O-N 3.08Å; E216-M220 HydrophobicContact CG-CE 4.21Å; E216-M220 WeakPolarHBondContact O-CG 3.25Å; E216-M220 PolarHBondContact O-N 2.82Å
217	N	94.6	Very high	93.4	Very high	2 Å²	2	82.3 Å²	82.3	1%	0.011	38%	0.382	C	S	.	.	H	α-helix	trans	-56.7	-47.8	171	-79.3	2	0	0	0	111.6	E197 Y199 M213 R219 M220 R221	E197-N217 HydrophobicContact CB-CB 4.22Å; E197-N217 HydrophobicContact CG-CB 3.76Å; E197-N217 PolarHBondContact OE2-ND2 3.29Å; E197-N217 VanDerWaalsContact OE2-ND2 3.17Å; Y199-N217 PolarHBondContact N-OD1 3.25Å; Y199-N217 PolarHBondContact O-ND2 3.02Å; M213-N217 WeakPolarHBondContact O-CB 3.38Å; M213-N217 PolarHBondContact O-N 3.22Å; N217-R219 VanDerWaalsContact C-N 3.29Å; N217-R219 PolarHBondContact O-N 3.22Å; N217-M220 HydrophobicContact CB-CE 4.45Å; N217-M220 PolarHBondContact O-N 2.84Å; N217-M220 VanDerWaalsContact O-N 3.16Å; N217-M220 WeakPolarHBondContact OD1-CE 3.36Å; N217-R221 WeakPolarHBondContact O-CG 3.23Å; N217-R221 PolarHBondContact O-N 3.31Å
218	N	94.2	Very high	93.3	Very high	73 Å²	73	75.7 Å²	75.7	39%	0.39	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-38	175.7	-174.3	63	0	0	0	111.7	E214 A215 E216 R221 M222	E214-N218 VanDerWaalsContact O-CB 3.23Å; E214-N218 WeakPolarHBondContact O-CB 3.27Å; E214-N218 PolarHBondContact O-N 2.79Å; A215-N218 PolarHBondContact O-N 2.91Å; E216-N218 VanDerWaalsContact C-N 3.34Å; E216-N218 PolarHBondContact O-N 3.43Å; N218-R221 PolarHBondContact O-N 2.98Å; N218-M222 WeakPolarHBondContact O-CB 3.43Å; N218-M222 WeakPolarHBondContact O-CG 3.27Å; N218-M222 PolarHBondContact O-N 3.45Å
219	R	95.4	Very high	93.3	Very high	170 Å²	170	68.9 Å²	68.9	64%	0.642	33%	0.325	S	S	*	.	H	α-helix	trans	-61.4	-44.3	173.9	-174.8	-173.2	176.9	111.6	-0.6	111.4	A215 E216 N217 S223	A215-R219 WeakPolarHBondContact O-CB 3.49Å; A215-R219 PolarHBondContact O-N 3.25Å; E216-R219 WeakPolarHBondContact O-CA 3.33Å; E216-R219 VanDerWaalsContact O-CB 3.31Å; E216-R219 WeakPolarHBondContact O-CB 3.39Å; E216-R219 PolarHBondContact O-N 3.47Å; E216-R219 VanDerWaalsContact O-N 3.08Å; N217-R219 VanDerWaalsContact C-N 3.29Å; N217-R219 PolarHBondContact O-N 3.22Å; R219-S223 VanDerWaalsContact O-CB 3.26Å; R219-S223 WeakPolarHBondContact O-CB 3.28Å; R219-S223 PolarHBondContact O-N 3.21Å
220	M	91.9	Very high	93.3	Very high	35 Å²	35	69 Å²	69	17%	0.172	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-47.4	176.8	-71.5	-177.2	-68.7	0	0	111.6	V196 K198 Y199 E216 N217 M222 S223 A224	V196-M220 HydrophobicContact CG1-CB 4.41Å; K198-M220 HydrophobicContact CB-CE 3.53Å; K198-M220 HydrophobicContact CB-SD 3.68Å; K198-M220 VanDerWaalsContact N-CE 3.31Å; Y199-M220 HydrophobicContact CD2-CE 4.07Å; Y199-M220 HydrophobicContact CE2-CE 4.36Å; E216-M220 HydrophobicContact CG-CE 4.21Å; E216-M220 WeakPolarHBondContact O-CG 3.25Å; E216-M220 PolarHBondContact O-N 2.82Å; N217-M220 HydrophobicContact CB-CE 4.45Å; N217-M220 PolarHBondContact O-N 2.84Å; N217-M220 VanDerWaalsContact O-N 3.16Å; N217-M220 WeakPolarHBondContact OD1-CE 3.36Å; M220-M222 PolarHBondContact O-N 3.17Å; M220-S223 WeakPolarHBondContact O-CB 3.47Å; M220-S223 PolarHBondContact O-N 3.17Å; M220-A224 PolarHBondContact O-N 3.3Å
221	R	92.3	Very high	93.2	Very high	63 Å²	63	64.5 Å²	64.5	24%	0.238	31%	0.31	C	S	.	.	H	α-helix	trans	-57.9	-50.8	175	-69	-160.6	-75.9	136.6	-2.3	112.4	T192 Y193 E197 N217 N218 S223 A224 I225	T192-R221 WeakPolarHBondContact O-CD 3.12Å; Y193-R221 WeakPolarHBondContact O-CG 3.36Å; E197-R221 HydrophobicContact CG-CG 3.95Å; E197-R221 WeakPolarHBondContact OE1-CD 3.2Å; E197-R221 IonicContact OE1-CZ 3.59Å; E197-R221 IonicContact OE1-NE 2.86Å; E197-R221 PolarHBondContact OE1-NE 3.11Å; E197-R221 IonicContact OE1-NH2 2.76Å; N217-R221 WeakPolarHBondContact O-CG 3.23Å; N217-R221 PolarHBondContact O-N 3.31Å; N218-R221 PolarHBondContact O-N 2.98Å; R221-S223 VanDerWaalsContact C-N 3.26Å; R221-S223 PolarHBondContact O-N 3.46Å; R221-A224 PolarHBondContact O-N 3.24Å; R221-I225 WeakPolarHBondContact O-CB 3.14Å; R221-I225 WeakPolarHBondContact O-CG1 3.4Å; R221-I225 PolarHBondContact O-N 2.68Å
222	M	93.7	Very high	93.1	Very high	71 Å²	71	58 Å²	58	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-66.2	-28.9	178.9	-67.4	-54	109.3	0	0	112.4	N218 M220 I225 R226	N218-M222 WeakPolarHBondContact O-CB 3.43Å; N218-M222 WeakPolarHBondContact O-CG 3.27Å; N218-M222 PolarHBondContact O-N 3.45Å; M220-M222 PolarHBondContact O-N 3.17Å; M222-I225 HydrophobicContact CE-CD1 3.5Å; M222-I225 VanDerWaalsContact CE-CD1 3.5Å; M222-I225 HydrophobicContact SD-CD1 4.26Å; M222-R226 VanDerWaalsContact O-CB 3.29Å; M222-R226 WeakPolarHBondContact O-CB 3.47Å; M222-R226 WeakPolarHBondContact O-CG 3.38Å; M222-R226 PolarHBondContact O-N 2.97Å; M222-R226 VanDerWaalsContact O-N 3.08Å; M222-R226 PolarHBondContact O-NE 3.29Å; M222-R226 VanDerWaalsContact O-NE 3.07Å
223	S	94.2	Very high	93.1	Very high	41 Å²	41	59.1 Å²	59.1	29%	0.287	28%	0.277	S	S	.	.	H	α-helix	trans	-67.5	-46.7	172	-168.9	0	0	0	0	111.2	R219 M220 R221 R226 K227	R219-S223 VanDerWaalsContact O-CB 3.26Å; R219-S223 WeakPolarHBondContact O-CB 3.28Å; R219-S223 PolarHBondContact O-N 3.21Å; M220-S223 WeakPolarHBondContact O-CB 3.47Å; M220-S223 PolarHBondContact O-N 3.17Å; R221-S223 VanDerWaalsContact C-N 3.26Å; R221-S223 PolarHBondContact O-N 3.46Å; S223-R226 PolarHBondContact O-N 3.48Å; S223-K227 WeakPolarHBondContact O-CG 3.37Å; S223-K227 PolarHBondContact O-N 3.17Å
224	A	92	Very high	93	Very high	17 Å²	17	60.1 Å²	60.1	14%	0.14	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-45.3	177.7	0	0	0	0	0	112.5	Y193 V196 M220 R221 R226 K227 R228	Y193-A224 HydrophobicContact CD1-CB 3.57Å; Y193-A224 HydrophobicContact CE1-CB 4.13Å; Y193-A224 HydrophobicContact CG-CB 3.91Å; V196-A224 HydrophobicContact CG1-CB 4.3Å; V196-A224 HydrophobicContact CG2-CB 4.1Å; M220-A224 PolarHBondContact O-N 3.3Å; R221-A224 PolarHBondContact O-N 3.24Å; A224-R226 VanDerWaalsContact C-N 3.35Å; A224-R226 PolarHBondContact O-N 3.1Å; A224-K227 PolarHBondContact O-N 3.26Å; A224-R228 PolarHBondContact O-N 2.93Å
225	I	92.4	Very high	93	Very high	30 Å²	30	55.9 Å²	55.9	15%	0.154	26%	0.261	C	S	.	.	H	α-helix	trans	-58.2	-47	174.6	-71.7	166.3	0	0	0	110.9	T189 Y193 R221 M222 K227 R228 N229	T189-I225 HydrophobicContact CG2-CB 4.46Å; T189-I225 HydrophobicContact CG2-CG1 4.34Å; T189-I225 HydrophobicContact CG2-CG2 3.96Å; Y193-I225 HydrophobicContact CD2-CB 4.34Å; Y193-I225 HydrophobicContact CD2-CD1 4.19Å; Y193-I225 HydrophobicContact CD2-CG1 3.24Å; Y193-I225 HydrophobicContact CE2-CG1 3.8Å; Y193-I225 HydrophobicContact CG-CG1 4.05Å; R221-I225 WeakPolarHBondContact O-CB 3.14Å; R221-I225 WeakPolarHBondContact O-CG1 3.4Å; R221-I225 PolarHBondContact O-N 2.68Å; M222-I225 HydrophobicContact CE-CD1 3.5Å; M222-I225 VanDerWaalsContact CE-CD1 3.5Å; M222-I225 HydrophobicContact SD-CD1 4.26Å; I225-K227 VanDerWaalsContact C-N 3.34Å; I225-K227 PolarHBondContact O-N 3.28Å; I225-R228 PolarHBondContact O-N 3.44Å; I225-N229 WeakPolarHBondContact O-CB 3.44Å; I225-N229 VanDerWaalsContact O-CG 3.23Å; I225-N229 PolarHBondContact O-N 3.14Å; I225-N229 PolarHBondContact O-ND2 3.46Å
226	R	94	Very high	93	Very high	162 Å²	162	53 Å²	53	61%	0.611	24%	0.237	S	C	*	.	H	α-helix	trans	-61.2	-42.8	178	-79.7	-177.6	-66.2	158.9	-1.5	111.8	M222 S223 A224 N229 E230	M222-R226 VanDerWaalsContact O-CB 3.29Å; M222-R226 WeakPolarHBondContact O-CB 3.47Å; M222-R226 WeakPolarHBondContact O-CG 3.38Å; M222-R226 PolarHBondContact O-N 2.97Å; M222-R226 VanDerWaalsContact O-N 3.08Å; M222-R226 PolarHBondContact O-NE 3.29Å; M222-R226 VanDerWaalsContact O-NE 3.07Å; S223-R226 PolarHBondContact O-N 3.48Å; A224-R226 VanDerWaalsContact C-N 3.35Å; A224-R226 PolarHBondContact O-N 3.1Å; R226-N229 PolarHBondContact O-N 3.03Å; R226-E230 WeakPolarHBondContact O-CB 3.18Å; R226-E230 PolarHBondContact O-N 2.87Å
227	K	91.8	Very high	92.9	Very high	130 Å²	130	52.2 Å²	52.2	57%	0.565	24%	0.244	S	C	*	.	H	α-helix	trans	-59.8	-49.4	175.6	-71.7	175.8	-177.8	-175.2	0	111.1	S223 A224 I225 N229 E230 E231	S223-K227 WeakPolarHBondContact O-CG 3.37Å; S223-K227 PolarHBondContact O-N 3.17Å; A224-K227 PolarHBondContact O-N 3.26Å; I225-K227 VanDerWaalsContact C-N 3.34Å; I225-K227 PolarHBondContact O-N 3.28Å; K227-N229 PolarHBondContact O-N 3.2Å; K227-E230 PolarHBondContact O-N 3.48Å; K227-E231 VanDerWaalsContact O-CG 3.26Å; K227-E231 WeakPolarHBondContact O-CG 3.08Å; K227-E231 PolarHBondContact O-N 3.34Å
228	R	91.2	Very high	92.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-48	177.7	179.7	64.8	169.2	164.6	-10.6	113.2	R90 V91 E126 T189 Y193 A224 I225 E230 E231 I232	R90-R228 VanDerWaalsContact NE-CD 3.34Å; V91-R228 PolarHBondContact O-NH1 3.03Å; E126-R228 IonicContact OE1-CZ 2.6Å; E126-R228 IonicContact OE1-NE 2.68Å; E126-R228 IonicContact OE1-NH2 3.2Å; E126-R228 PolarHBondContact OE1-NH2 2.6Å; E126-R228 IonicContact OE2-NH2 2.82Å; E126-R228 PolarHBondContact OE2-NH2 3.33Å; T189-R228 HydrophobicContact CG2-CB 4.48Å; T189-R228 HydrophobicContact CG2-CG 4.31Å; Y193-R228 HydrophobicContact CE2-CB 4.43Å; Y193-R228 WeakPolarHBondContact OH-CB 3.29Å; Y193-R228 WeakPolarHBondContact OH-CG 3.38Å; A224-R228 PolarHBondContact O-N 2.93Å; I225-R228 PolarHBondContact O-N 3.44Å; R228-E230 VanDerWaalsContact C-N 3.31Å; R228-E230 PolarHBondContact O-N 3.35Å; R228-E231 PolarHBondContact O-N 3.34Å; R228-I232 HydrophobicContact CG-CD1 4.13Å; R228-I232 PolarHBondContact O-N 3.35Å; R228-I232 VanDerWaalsContact O-N 3.11Å
229	N	93.4	Very high	92.7	Very high	15 Å²	15	49.4 Å²	49.4	8%	0.08	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-43.2	-179.6	-69	-14.6	0	0	0	111	T189 I225 R226 K227 I232 R233	T189-N229 VanDerWaalsContact CG2-OD1 3.27Å; T189-N229 WeakPolarHBondContact CG2-OD1 2.94Å; T189-N229 PolarHBondContact N-OD1 3.31Å; I225-N229 WeakPolarHBondContact O-CB 3.44Å; I225-N229 VanDerWaalsContact O-CG 3.23Å; I225-N229 PolarHBondContact O-N 3.14Å; I225-N229 PolarHBondContact O-ND2 3.46Å; R226-N229 PolarHBondContact O-N 3.03Å; K227-N229 PolarHBondContact O-N 3.2Å; N229-I232 PolarHBondContact O-N 3.4Å; N229-R233 WeakPolarHBondContact O-CB 3.39Å; N229-R233 WeakPolarHBondContact O-CG 3.33Å; N229-R233 PolarHBondContact O-N 3.43Å
230	E	92.1	Very high	92.6	Very high	87 Å²	87	44.3 Å²	44.3	41%	0.407	21%	0.21	S	C	.	.	H	α-helix	trans	-64.1	-43.8	178.8	-174.2	58.6	-157.2	0	0	111.8	R226 K227 R228 I232 R233 Q234	R226-E230 WeakPolarHBondContact O-CB 3.18Å; R226-E230 PolarHBondContact O-N 2.87Å; K227-E230 PolarHBondContact O-N 3.48Å; R228-E230 VanDerWaalsContact C-N 3.31Å; R228-E230 PolarHBondContact O-N 3.35Å; E230-I232 PolarHBondContact O-N 2.94Å; E230-R233 PolarHBondContact O-N 2.83Å; E230-Q234 HydrophobicContact CG-CG 4.41Å; E230-Q234 VanDerWaalsContact CG-NE2 3.32Å; E230-Q234 VanDerWaalsContact O-CB 3.31Å; E230-Q234 WeakPolarHBondContact O-CB 3.34Å; E230-Q234 WeakPolarHBondContact O-CG 3.42Å; E230-Q234 PolarHBondContact O-N 2.85Å; E230-Q234 PolarHBondContact OE1-NE2 3.03Å
231	E	90.7	Very high	92.6	Very high	13 Å²	13	47.5 Å²	47.5	6%	0.061	22%	0.223	C	C	.	.	H	α-helix	trans	-59.4	-44.3	176.6	-71.9	173.3	-132.5	0	0	112.5	R90 F94 K227 R228 Q234 L235	R90-E231 IonicContact CZ-OE1 2.76Å; R90-E231 IonicContact CZ-OE2 3.15Å; R90-E231 IonicContact NE-OE2 3.97Å; R90-E231 IonicContact NH1-OE1 3.91Å; R90-E231 PolarHBondContact NH1-OE1 3.14Å; R90-E231 VanDerWaalsContact NH1-OE1 3.15Å; R90-E231 IonicContact NH1-OE2 3.92Å; R90-E231 PolarHBondContact NH1-OE2 3.48Å; R90-E231 IonicContact NH2-OE1 3.12Å; R90-E231 PolarHBondContact NH2-OE1 2.56Å; R90-E231 IonicContact NH2-OE2 3.58Å; R90-E231 PolarHBondContact NH2-OE2 3.06Å; F94-E231 HydrophobicContact CE1-CG 4.35Å; F94-E231 HydrophobicContact CE2-CG 4.17Å; F94-E231 VanDerWaalsContact CE2-OE2 3.3Å; F94-E231 WeakPolarHBondContact CE2-OE2 3.41Å; F94-E231 VanDerWaalsContact CZ-CD 3.47Å; F94-E231 HydrophobicContact CZ-CG 3.57Å; K227-E231 VanDerWaalsContact O-CG 3.26Å; K227-E231 WeakPolarHBondContact O-CG 3.08Å; K227-E231 PolarHBondContact O-N 3.34Å; R228-E231 PolarHBondContact O-N 3.34Å; E231-Q234 PolarHBondContact O-N 3.08Å; E231-L235 PolarHBondContact O-N 2.85Å
232	I	92.9	Very high	92.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-43.5	178.2	-69.7	170.8	0	0	0	110.8	V93 I123 W184 F187 R228 N229 E230 Q234 L235 V236	V93-I232 HydrophobicContact CG2-CG1 4.44Å; I123-I232 HydrophobicContact CD1-CG1 4.49Å; I123-I232 HydrophobicContact CG2-CD1 3.83Å; W184-I232 HydrophobicContact CE3-CG2 3.9Å; W184-I232 HydrophobicContact CZ3-CG2 4.03Å; F187-I232 HydrophobicContact CB-CG2 4.16Å; F187-I232 HydrophobicContact CD1-CB 3.88Å; F187-I232 HydrophobicContact CD1-CD1 3.85Å; F187-I232 HydrophobicContact CD1-CG1 4.46Å; F187-I232 HydrophobicContact CD1-CG2 3.66Å; F187-I232 HydrophobicContact CD2-CG2 4.29Å; F187-I232 HydrophobicContact CE1-CB 4.16Å; F187-I232 HydrophobicContact CE1-CD1 3.2Å; F187-I232 HydrophobicContact CE1-CG1 4.24Å; F187-I232 HydrophobicContact CE1-CG2 4.13Å; F187-I232 HydrophobicContact CE2-CD1 4.43Å; F187-I232 HydrophobicContact CG-CB 4.48Å; F187-I232 HydrophobicContact CG-CG2 3.76Å; F187-I232 HydrophobicContact CZ-CD1 3.53Å; R228-I232 HydrophobicContact CG-CD1 4.13Å; R228-I232 PolarHBondContact O-N 3.35Å; R228-I232 VanDerWaalsContact O-N 3.11Å; N229-I232 PolarHBondContact O-N 3.4Å; E230-I232 PolarHBondContact O-N 2.94Å; I232-Q234 VanDerWaalsContact C-N 3.27Å; I232-Q234 PolarHBondContact O-N 3.25Å; I232-L235 WeakPolarHBondContact O-CB 3.02Å; I232-L235 PolarHBondContact O-N 3Å; I232-L235 VanDerWaalsContact O-N 3.16Å; I232-V236 HydrophobicContact CG2-CG2 4.38Å; I232-V236 WeakPolarHBondContact O-CG2 3.34Å; I232-V236 PolarHBondContact O-N 3.26Å
233	R	94.4	Very high	92.4	Very high	85 Å²	85	42 Å²	42	32%	0.321	20%	0.199	S	C	.	.	H	α-helix	trans	-63	-35.5	177.3	-70.8	172.9	-165.5	179.8	-2	112.1	E185 F187 N229 E230 V236 A237	E185-R233 WeakPolarHBondContact O-CG 3.22Å; F187-R233 PolarHBondContact O-NE 3.03Å; F187-R233 PolarHBondContact O-NH2 3.3Å; N229-R233 WeakPolarHBondContact O-CB 3.39Å; N229-R233 WeakPolarHBondContact O-CG 3.33Å; N229-R233 PolarHBondContact O-N 3.43Å; E230-R233 PolarHBondContact O-N 2.83Å; R233-V236 PolarHBondContact O-N 3.21Å; R233-A237 WeakPolarHBondContact O-CB 3.16Å; R233-A237 PolarHBondContact O-N 3.27Å
234	Q	91.1	Very high	92.3	Very high	43 Å²	43	46.5 Å²	46.5	20%	0.201	21%	0.209	C	C	.	.	H	α-helix	trans	-67	-40.4	174.2	-74.9	166.4	-11	0	0	111.7	W62 F97 E230 E231 I232 V236 A237 Y238	W62-Q234 VanDerWaalsContact NE1-CD 3.29Å; F97-Q234 HydrophobicContact CE1-CB 4.13Å; F97-Q234 HydrophobicContact CZ-CB 4.06Å; E230-Q234 HydrophobicContact CG-CG 4.41Å; E230-Q234 VanDerWaalsContact CG-NE2 3.32Å; E230-Q234 VanDerWaalsContact O-CB 3.31Å; E230-Q234 WeakPolarHBondContact O-CB 3.34Å; E230-Q234 WeakPolarHBondContact O-CG 3.42Å; E230-Q234 PolarHBondContact O-N 2.85Å; E230-Q234 PolarHBondContact OE1-NE2 3.03Å; E231-Q234 PolarHBondContact O-N 3.08Å; I232-Q234 VanDerWaalsContact C-N 3.27Å; I232-Q234 PolarHBondContact O-N 3.25Å; Q234-V236 VanDerWaalsContact C-N 3.31Å; Q234-V236 PolarHBondContact O-N 3.22Å; Q234-A237 PolarHBondContact O-N 3.17Å; Q234-Y238 WeakPolarHBondContact O-CB 3.2Å; Q234-Y238 PolarHBondContact O-N 3.41Å
235	L	92.1	Very high	92.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-46.2	172.3	177.5	69.6	0	0	0	110.2	V93 F97 Y116 V119 F120 I123 E231 I232 A237 Y238 V239	V93-L235 HydrophobicContact CG1-CB 3.48Å; V93-L235 VanDerWaalsContact CG1-CB 3.48Å; V93-L235 HydrophobicContact CG1-CD1 4.01Å; V93-L235 HydrophobicContact CG1-CD2 3.3Å; V93-L235 HydrophobicContact CG1-CG 3.73Å; F97-L235 HydrophobicContact CD2-CD1 4.2Å; F97-L235 HydrophobicContact CE1-CB 4.41Å; F97-L235 HydrophobicContact CE2-CB 3.98Å; F97-L235 HydrophobicContact CE2-CD1 4.01Å; F97-L235 HydrophobicContact CZ-CB 3.69Å; F97-L235 HydrophobicContact CZ-CD1 4.27Å; Y116-L235 HydrophobicContact CE1-CD1 4.12Å; V119-L235 HydrophobicContact CG1-CD2 3.89Å; F120-L235 HydrophobicContact CE1-CD2 4.14Å; F120-L235 HydrophobicContact CZ-CD2 3.95Å; F120-L235 HydrophobicContact CZ-CG 4.29Å; I123-L235 HydrophobicContact CD1-CD2 4.36Å; E231-L235 PolarHBondContact O-N 2.85Å; I232-L235 WeakPolarHBondContact O-CB 3.02Å; I232-L235 PolarHBondContact O-N 3Å; I232-L235 VanDerWaalsContact O-N 3.16Å; L235-A237 VanDerWaalsContact C-N 3.32Å; L235-A237 PolarHBondContact O-N 3.16Å; L235-Y238 WeakPolarHBondContact O-CB 3.39Å; L235-Y238 PolarHBondContact O-N 2.82Å; L235-Y238 VanDerWaalsContact O-N 3.1Å; L235-V239 HydrophobicContact CD1-CG2 4.1Å; L235-V239 HydrophobicContact CG-CG2 4.21Å; L235-V239 VanDerWaalsContact O-CG2 3.27Å; L235-V239 WeakPolarHBondContact O-CG2 3.49Å; L235-V239 PolarHBondContact O-N 3.09Å
236	V	94.7	Very high	92.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-43.9	-179.8	176	0	0	0	0	110.9	F120 Y181 W184 E185 I232 R233 Q234 V239 K240	F120-V236 HydrophobicContact CE1-CG2 3.73Å; F120-V236 HydrophobicContact CZ-CG2 3.94Å; Y181-V236 HydrophobicContact CD1-CG1 3.81Å; Y181-V236 HydrophobicContact CE1-CG1 4.29Å; W184-V236 HydrophobicContact CB-CB 4.42Å; W184-V236 HydrophobicContact CB-CG1 3.92Å; W184-V236 HydrophobicContact CB-CG2 3.59Å; W184-V236 HydrophobicContact CG-CG2 4.43Å; E185-V236 HydrophobicContact CG-CG1 4.04Å; I232-V236 HydrophobicContact CG2-CG2 4.38Å; I232-V236 WeakPolarHBondContact O-CG2 3.34Å; I232-V236 PolarHBondContact O-N 3.26Å; R233-V236 PolarHBondContact O-N 3.21Å; Q234-V236 VanDerWaalsContact C-N 3.31Å; Q234-V236 PolarHBondContact O-N 3.22Å; V236-V239 PolarHBondContact O-N 3.02Å; V236-K240 WeakPolarHBondContact O-CB 3.45Å; V236-K240 PolarHBondContact O-N 3.45Å
237	A	92.8	Very high	92.3	Very high	60 Å²	60	39.9 Å²	39.9	50%	0.496	18%	0.182	S	C	.	.	H	α-helix	trans	-62.7	-41.5	174.4	0	0	0	0	0	112.3	R233 Q234 L235 K240 K241	R233-A237 WeakPolarHBondContact O-CB 3.16Å; R233-A237 PolarHBondContact O-N 3.27Å; Q234-A237 PolarHBondContact O-N 3.17Å; L235-A237 VanDerWaalsContact C-N 3.32Å; L235-A237 PolarHBondContact O-N 3.16Å; A237-K240 PolarHBondContact O-N 2.67Å; A237-K241 PolarHBondContact O-N 3.5Å
238	Y	90.8	Very high	92.3	Very high	16 Å²	16	35.9 Å²	35.9	6%	0.063	17%	0.173	C	C	.	.	H	α-helix	trans	-61.1	-47.8	176.9	178.8	-89.3	0	0	0	112	F97 Y116 Q234 L235 K241 R242	F97-Y238 HydrophobicContact CD1-CD1 4.48Å; F97-Y238 AromaticContact CD1-CD2 3.89Å; F97-Y238 HydrophobicContact CD1-CD2 3.89Å; F97-Y238 AromaticContact CD1-CG 3.85Å; F97-Y238 HydrophobicContact CD1-CG 3.85Å; F97-Y238 HydrophobicContact CE1-CG 4.4Å; F97-Y238 VanDerWaalsContact O-CE2 3.22Å; F97-Y238 WeakPolarHBondContact O-CE2 3.08Å; F97-Y238 PolarHBondContact O-OH 2.78Å; Y116-Y238 WeakPolarHBondContact OH-CE1 3.39Å; Q234-Y238 WeakPolarHBondContact O-CB 3.2Å; Q234-Y238 PolarHBondContact O-N 3.41Å; L235-Y238 WeakPolarHBondContact O-CB 3.39Å; L235-Y238 PolarHBondContact O-N 2.82Å; L235-Y238 VanDerWaalsContact O-N 3.1Å; Y238-K241 PolarHBondContact O-N 2.82Å; Y238-R242 VanDerWaalsContact CE2-NH1 3.34Å; Y238-R242 VanDerWaalsContact CE2-NH2 3.33Å; Y238-R242 PolarHBondContact OH-NE 3.15Å
239	V	92.9	Very high	92.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-45.4	177.6	180	0	0	0	0	110.1	F112 Y116 F120 F166 L235 V236 K241 R242 D243	F112-V239 HydrophobicContact CE1-CG1 4.34Å; F112-V239 HydrophobicContact CZ-CG1 3.74Å; Y116-V239 HydrophobicContact CD1-CG1 4.43Å; Y116-V239 HydrophobicContact CD1-CG2 3.41Å; Y116-V239 VanDerWaalsContact CD1-CG2 3.41Å; Y116-V239 HydrophobicContact CD2-CG1 4.35Å; Y116-V239 HydrophobicContact CD2-CG2 4.41Å; Y116-V239 HydrophobicContact CE1-CG2 3.31Å; Y116-V239 HydrophobicContact CE2-CG2 4.38Å; Y116-V239 HydrophobicContact CG-CG1 4.2Å; Y116-V239 HydrophobicContact CG-CG2 3.99Å; F120-V239 HydrophobicContact CE2-CG2 4.36Å; F120-V239 HydrophobicContact CZ-CG2 4.47Å; F166-V239 HydrophobicContact CE2-CG1 4.04Å; F166-V239 HydrophobicContact CZ-CG1 3.86Å; L235-V239 HydrophobicContact CD1-CG2 4.1Å; L235-V239 HydrophobicContact CG-CG2 4.21Å; L235-V239 VanDerWaalsContact O-CG2 3.27Å; L235-V239 WeakPolarHBondContact O-CG2 3.49Å; L235-V239 PolarHBondContact O-N 3.09Å; V236-V239 PolarHBondContact O-N 3.02Å; V239-K241 VanDerWaalsContact C-N 3.29Å; V239-K241 PolarHBondContact O-N 3.31Å; V239-R242 PolarHBondContact O-N 3.39Å; V239-D243 WeakPolarHBondContact O-CB 3.05Å; V239-D243 PolarHBondContact O-N 3.44Å
240	K	93.5	Very high	92.3	Very high	63 Å²	63	40.1 Å²	40.1	27%	0.274	19%	0.194	S	C	.	.	H	α-helix	trans	-59.2	-36.5	179.4	-170.5	177.7	-178.6	-176.1	0	113.1	Y181 E185 V236 A237 R242 V246	Y181-K240 HydrophobicContact CD1-CB 3.89Å; Y181-K240 HydrophobicContact CD1-CD 4.13Å; Y181-K240 HydrophobicContact CD1-CG 4.05Å; Y181-K240 HydrophobicContact CE1-CB 3.55Å; Y181-K240 HydrophobicContact CE1-CG 4.04Å; Y181-K240 HydrophobicContact CG-CD 4.28Å; Y181-K240 HydrophobicContact CG-CG 4.33Å; E185-K240 WeakPolarHBondContact OE1-CD 3.26Å; E185-K240 WeakPolarHBondContact OE1-CE 3.5Å; E185-K240 IonicContact OE1-NZ 3.34Å; E185-K240 PolarHBondContact OE1-NZ 2.86Å; E185-K240 IonicContact OE2-NZ 3.09Å; V236-K240 WeakPolarHBondContact O-CB 3.45Å; V236-K240 PolarHBondContact O-N 3.45Å; A237-K240 PolarHBondContact O-N 2.67Å; K240-R242 VanDerWaalsContact C-N 3.25Å; K240-R242 PolarHBondContact O-N 3.31Å; K240-V246 HydrophobicContact CG-CG1 3.92Å; K240-V246 HydrophobicContact CG-CG2 4.37Å
241	K	90.8	Very high	92.4	Very high	102 Å²	102	40.2 Å²	40.2	44%	0.443	20%	0.195	S	C	.	.	H	α-helix	trans	-68.7	-22.2	177.4	-170.9	175.7	179.4	-175.9	0	112.9	D56 E59 A237 Y238 V239	D56-K241 IonicContact OD2-NZ 3.05Å; D56-K241 PolarHBondContact OD2-NZ 3.47Å; E59-K241 IonicContact OE1-NZ 3.42Å; E59-K241 PolarHBondContact OE1-NZ 2.93Å; A237-K241 PolarHBondContact O-N 3.5Å; Y238-K241 PolarHBondContact O-N 2.82Å; V239-K241 VanDerWaalsContact C-N 3.29Å; V239-K241 PolarHBondContact O-N 3.31Å
242	R	89.9	Confident	92.5	Very high	18 Å²	18	44.5 Å²	44.5	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-110.6	-20.3	-174	-72.1	165.8	173.1	70.7	-2.5	113.6	E59 F105 F112 Y238 V239 K240 R244	E59-R242 IonicContact OE1-NH1 3.66Å; E59-R242 IonicContact OE1-NH2 3.36Å; E59-R242 IonicContact OE2-NH2 2.87Å; E59-R242 PolarHBondContact OE2-NH2 2.95Å; F105-R242 WeakPolarHBondContact CE1-O 3.32Å; F112-R242 HydrophobicContact CE2-CB 4.25Å; Y238-R242 VanDerWaalsContact CE2-NH1 3.34Å; Y238-R242 VanDerWaalsContact CE2-NH2 3.33Å; Y238-R242 PolarHBondContact OH-NE 3.15Å; V239-R242 PolarHBondContact O-N 3.39Å; K240-R242 VanDerWaalsContact C-N 3.25Å; K240-R242 PolarHBondContact O-N 3.31Å; R242-R244 PolarHBondContact O-N 3.43Å
243	D	93.3	Very high	92.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.			trans	-61.9	120.2	179.7	-172.5	-25.6	0	0	0	111	F112 Y181 V239 R245 V246 I247	F112-D243 HydrophobicContact CE1-CB 3.96Å; F112-D243 HydrophobicContact CZ-CB 4.03Å; Y181-D243 WeakPolarHBondContact OH-CB 3.48Å; Y181-D243 PolarHBondContact OH-OD2 3.39Å; V239-D243 WeakPolarHBondContact O-CB 3.05Å; V239-D243 PolarHBondContact O-N 3.44Å; D243-R245 PolarHBondContact O-N 3.38Å; D243-R245 VanDerWaalsContact OD1-CB 3.25Å; D243-R245 WeakPolarHBondContact OD1-CB 3.1Å; D243-R245 WeakPolarHBondContact OD1-CG 3.43Å; D243-R245 PolarHBondContact OD1-N 3.35Å; D243-R245 IonicContact OD1-NE 2.8Å; D243-R245 PolarHBondContact OD1-NE 2.93Å; D243-R245 IonicContact OD2-CZ 3.76Å; D243-R245 IonicContact OD2-NE 2.87Å; D243-R245 PolarHBondContact OD2-NE 2.85Å; D243-R245 IonicContact OD2-NH2 2.66Å; D243-R245 PolarHBondContact OD2-NH2 3.05Å; D243-V246 HydrophobicContact CB-CB 4.24Å; D243-V246 HydrophobicContact CB-CG2 3.85Å; D243-V246 PolarHBondContact O-N 3.48Å; D243-V246 VanDerWaalsContact O-N 3.15Å; D243-I247 WeakPolarHBondContact O-CG1 3.37Å; D243-I247 PolarHBondContact O-N 3.14Å
244	R	91.2	Very high	92.4	Very high	136 Å²	136	49.8 Å²	49.8	51%	0.513	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-30.4	-177.6	-169.7	58.8	177.2	171.7	5.6	112.4	R242 V246 I247 A248	R242-R244 PolarHBondContact O-N 3.43Å; R244-V246 VanDerWaalsContact C-N 3.34Å; R244-I247 PolarHBondContact O-N 3.34Å; R244-A248 VanDerWaalsContact O-CB 3.31Å; R244-A248 WeakPolarHBondContact O-CB 3.19Å; R244-A248 PolarHBondContact O-N 3.37Å
245	R	93.3	Very high	92.6	Very high	23 Å²	23	54.2 Å²	54.2	9%	0.087	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-40.6	176.2	-57.4	172.8	-63.7	-179.6	4.1	110.7	Y113 F166 C168 V177 D243 E249	Y113-R245 HydrophobicContact CE1-CG 4.24Å; F166-R245 PolarHBondContact O-NH1 3.46Å; F166-R245 PolarHBondContact O-NH2 3.1Å; C168-R245 PolarHBondContact O-NH1 2.86Å; V177-R245 HydrophobicContact CG2-CB 4.43Å; D243-R245 PolarHBondContact O-N 3.38Å; D243-R245 VanDerWaalsContact OD1-CB 3.25Å; D243-R245 WeakPolarHBondContact OD1-CB 3.1Å; D243-R245 WeakPolarHBondContact OD1-CG 3.43Å; D243-R245 PolarHBondContact OD1-N 3.35Å; D243-R245 IonicContact OD1-NE 2.8Å; D243-R245 PolarHBondContact OD1-NE 2.93Å; D243-R245 IonicContact OD2-CZ 3.76Å; D243-R245 IonicContact OD2-NE 2.87Å; D243-R245 PolarHBondContact OD2-NE 2.85Å; D243-R245 IonicContact OD2-NH2 2.66Å; D243-R245 PolarHBondContact OD2-NH2 3.05Å; R245-E249 PolarHBondContact O-N 3.18Å
246	V	93.1	Very high	92.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-73.1	-41	177.7	-178.1	0	0	0	0	111.3	Y173 V177 Y181 K240 D243 R244 E249 N250	Y173-V246 HydrophobicContact CE2-CB 4.39Å; Y173-V246 HydrophobicContact CE2-CG2 4.09Å; V177-V246 HydrophobicContact CG1-CG2 3.97Å; Y181-V246 HydrophobicContact CD2-CG2 3.94Å; Y181-V246 HydrophobicContact CE2-CG2 3.31Å; K240-V246 HydrophobicContact CG-CG1 3.92Å; K240-V246 HydrophobicContact CG-CG2 4.37Å; D243-V246 HydrophobicContact CB-CB 4.24Å; D243-V246 HydrophobicContact CB-CG2 3.85Å; D243-V246 PolarHBondContact O-N 3.48Å; D243-V246 VanDerWaalsContact O-N 3.15Å; R244-V246 VanDerWaalsContact C-N 3.34Å; V246-E249 PolarHBondContact O-N 3.02Å; V246-N250 WeakPolarHBondContact O-CB 3.34Å; V246-N250 VanDerWaalsContact O-CG 3.23Å; V246-N250 PolarHBondContact O-N 3.29Å; V246-N250 PolarHBondContact O-ND2 2.88Å
247	I	92.4	Very high	92.6	Very high	47 Å²	47	60.8 Å²	60.8	24%	0.241	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-48.5	176.3	-66.6	166.2	0	0	0	110.3	D243 R244 E249 N250 E251	D243-I247 WeakPolarHBondContact O-CG1 3.37Å; D243-I247 PolarHBondContact O-N 3.14Å; R244-I247 PolarHBondContact O-N 3.34Å; I247-E249 VanDerWaalsContact C-N 3.33Å; I247-E249 PolarHBondContact O-N 3.34Å; I247-N250 PolarHBondContact O-N 3.21Å; I247-E251 HydrophobicContact CG2-CG 4.41Å; I247-E251 WeakPolarHBondContact CG2-OE1 3.19Å; I247-E251 WeakPolarHBondContact O-CB 3.42Å; I247-E251 WeakPolarHBondContact O-CG 3.27Å; I247-E251 PolarHBondContact O-N 3.2Å
248	A	92.6	Very high	92.7	Very high	45 Å²	45	64.3 Å²	64.3	37%	0.372	30%	0.302	S	S	.	.	H	α-helix	trans	-60.2	-40.6	179	0	0	0	0	0	112.5	R244 E251 R252	R244-A248 VanDerWaalsContact O-CB 3.31Å; R244-A248 WeakPolarHBondContact O-CB 3.19Å; R244-A248 PolarHBondContact O-N 3.37Å; A248-E251 PolarHBondContact O-N 2.76Å; A248-R252 PolarHBondContact O-N 3.48Å
249	E	91.2	Very high	92.9	Very high	36 Å²	36	69.2 Å²	69.2	17%	0.168	33%	0.325	C	S	.	.	H	α-helix	trans	-69.5	-42	176.4	-179.7	65.3	-175.7	0	0	112.3	Y173 R245 V246 I247 E251 R252 I253	Y173-E249 HydrophobicContact CD1-CB 4.24Å; Y173-E249 HydrophobicContact CD1-CG 3.64Å; Y173-E249 HydrophobicContact CD2-CB 3.79Å; Y173-E249 HydrophobicContact CD2-CG 4.1Å; Y173-E249 HydrophobicContact CE1-CB 4.3Å; Y173-E249 HydrophobicContact CE1-CG 3.55Å; Y173-E249 HydrophobicContact CE2-CB 3.85Å; Y173-E249 HydrophobicContact CE2-CG 4.01Å; Y173-E249 HydrophobicContact CG-CB 3.99Å; Y173-E249 HydrophobicContact CG-CG 3.91Å; R245-E249 PolarHBondContact O-N 3.18Å; V246-E249 PolarHBondContact O-N 3.02Å; I247-E249 VanDerWaalsContact C-N 3.33Å; I247-E249 PolarHBondContact O-N 3.34Å; E249-E251 VanDerWaalsContact C-N 3.3Å; E249-E251 PolarHBondContact O-N 2.86Å; E249-R252 WeakPolarHBondContact O-CB 3.25Å; E249-R252 PolarHBondContact O-N 3.07Å; E249-R252 VanDerWaalsContact O-N 3.16Å; E249-R252 IonicContact OE1-CZ 3.1Å; E249-R252 IonicContact OE1-NE 3.43Å; E249-R252 PolarHBondContact OE1-NE 2.96Å; E249-R252 IonicContact OE1-NH2 3.03Å; E249-R252 PolarHBondContact OE1-NH2 3.21Å; E249-R252 IonicContact OE2-CZ 3.36Å; E249-R252 IonicContact OE2-NE 2.89Å; E249-R252 PolarHBondContact OE2-NE 3.49Å; E249-R252 IonicContact OE2-NH2 2.75Å; E249-I253 HydrophobicContact CG-CD1 3.97Å; E249-I253 HydrophobicContact CG-CG1 4.48Å; E249-I253 WeakPolarHBondContact O-CG1 3.15Å; E249-I253 PolarHBondContact O-N 3.48Å
250	N	92.1	Very high	92.8	Very high	69 Å²	69	72.4 Å²	72.4	37%	0.369	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-41.7	175	-74.7	-25.8	0	0	0	111.3	V246 I247 I253 Q254	V246-N250 WeakPolarHBondContact O-CB 3.34Å; V246-N250 VanDerWaalsContact O-CG 3.23Å; V246-N250 PolarHBondContact O-N 3.29Å; V246-N250 PolarHBondContact O-ND2 2.88Å; I247-N250 PolarHBondContact O-N 3.21Å; N250-I253 PolarHBondContact O-N 3.2Å; N250-Q254 WeakPolarHBondContact O-CB 3.47Å; N250-Q254 VanDerWaalsContact O-CG 3.23Å; N250-Q254 WeakPolarHBondContact O-CG 3.36Å; N250-Q254 PolarHBondContact O-N 3.02Å
251	E	94	Very high	92.7	Very high	88 Å²	88	74.8 Å²	74.8	41%	0.411	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-41.1	173.9	-73.8	171.5	-177.2	0	0	111.6	I247 A248 E249 Q254 R255	I247-E251 HydrophobicContact CG2-CG 4.41Å; I247-E251 WeakPolarHBondContact CG2-OE1 3.19Å; I247-E251 WeakPolarHBondContact O-CB 3.42Å; I247-E251 WeakPolarHBondContact O-CG 3.27Å; I247-E251 PolarHBondContact O-N 3.2Å; A248-E251 PolarHBondContact O-N 2.76Å; E249-E251 VanDerWaalsContact C-N 3.3Å; E249-E251 PolarHBondContact O-N 2.86Å; E251-Q254 PolarHBondContact O-N 3.49Å; E251-R255 WeakPolarHBondContact O-CG 3.38Å; E251-R255 PolarHBondContact O-N 3.49Å
252	R	92.7	Very high	92.9	Very high	103 Å²	103	74.4 Å²	74.4	39%	0.389	37%	0.366	S	S	.	.	H	α-helix	trans	-61.8	-47.2	175	-169.3	-169.8	72.6	80.5	3.7	111.9	A248 E249 Q254 R255 I256	A248-R252 PolarHBondContact O-N 3.48Å; E249-R252 WeakPolarHBondContact O-CB 3.25Å; E249-R252 PolarHBondContact O-N 3.07Å; E249-R252 VanDerWaalsContact O-N 3.16Å; E249-R252 IonicContact OE1-CZ 3.1Å; E249-R252 IonicContact OE1-NE 3.43Å; E249-R252 PolarHBondContact OE1-NE 2.96Å; E249-R252 IonicContact OE1-NH2 3.03Å; E249-R252 PolarHBondContact OE1-NH2 3.21Å; E249-R252 IonicContact OE2-CZ 3.36Å; E249-R252 IonicContact OE2-NE 2.89Å; E249-R252 PolarHBondContact OE2-NE 3.49Å; E249-R252 IonicContact OE2-NH2 2.75Å; R252-Q254 VanDerWaalsContact C-N 3.33Å; R252-Q254 PolarHBondContact O-N 3.36Å; R252-R255 PolarHBondContact O-N 3.38Å; R252-I256 HydrophobicContact CG-CD1 4.33Å; R252-I256 WeakPolarHBondContact O-CG1 3.27Å; R252-I256 PolarHBondContact O-N 3.28Å; R252-I256 VanDerWaalsContact O-N 3.08Å
253	I	92.4	Very high	93	Very high	84 Å²	84	82.1 Å²	82.1	43%	0.431	40%	0.395	S	S	.	.	H	α-helix	trans	-62.7	-42	177.3	-67.5	168.3	0	0	0	110.5	E249 N250 I256 A257	E249-I253 HydrophobicContact CG-CD1 3.97Å; E249-I253 HydrophobicContact CG-CG1 4.48Å; E249-I253 WeakPolarHBondContact O-CG1 3.15Å; E249-I253 PolarHBondContact O-N 3.48Å; N250-I253 PolarHBondContact O-N 3.2Å; I253-I256 PolarHBondContact O-N 2.73Å; I253-A257 WeakPolarHBondContact O-CB 3.44Å; I253-A257 PolarHBondContact O-N 3.44Å
254	Q	93.9	Very high	92.8	Very high	113 Å²	113	85.7 Å²	85.7	53%	0.528	42%	0.417	S	S	.	.	H	α-helix	trans	-64.8	-39	176.8	-75.4	177.2	24.3	0	0	112.6	N250 E251 R252 A257 K258	N250-Q254 WeakPolarHBondContact O-CB 3.47Å; N250-Q254 VanDerWaalsContact O-CG 3.23Å; N250-Q254 WeakPolarHBondContact O-CG 3.36Å; N250-Q254 PolarHBondContact O-N 3.02Å; E251-Q254 PolarHBondContact O-N 3.49Å; R252-Q254 VanDerWaalsContact C-N 3.33Å; R252-Q254 PolarHBondContact O-N 3.36Å; Q254-A257 PolarHBondContact O-N 2.84Å; Q254-K258 WeakPolarHBondContact O-CB 3.45Å; Q254-K258 VanDerWaalsContact O-CG 3.31Å; Q254-K258 WeakPolarHBondContact O-CG 3.27Å; Q254-K258 PolarHBondContact O-N 3.4Å
255	R	94.8	Very high	92.9	Very high	135 Å²	135	85.4 Å²	85.4	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-61.4	-50.5	174.2	-78.9	-176.8	-71.2	118.3	-8.4	111.6	E251 R252 A257 K258 E259	E251-R255 WeakPolarHBondContact O-CG 3.38Å; E251-R255 PolarHBondContact O-N 3.49Å; R252-R255 PolarHBondContact O-N 3.38Å; R255-A257 VanDerWaalsContact C-N 3.29Å; R255-A257 PolarHBondContact O-N 3.2Å; R255-K258 PolarHBondContact O-N 3.06Å; R255-K258 VanDerWaalsContact O-N 3.13Å; R255-E259 WeakPolarHBondContact O-CB 3.11Å; R255-E259 WeakPolarHBondContact O-CG 3.18Å; R255-E259 PolarHBondContact O-N 2.93Å
256	I	93.8	Very high	92.9	Very high	82 Å²	82	88.6 Å²	88.6	42%	0.421	44%	0.438	S	S	.	.	H	α-helix	trans	-59.2	-40.8	177.4	-66.6	167.7	0	0	0	111.3	R252 I253 S260	R252-I256 HydrophobicContact CG-CD1 4.33Å; R252-I256 WeakPolarHBondContact O-CG1 3.27Å; R252-I256 PolarHBondContact O-N 3.28Å; R252-I256 VanDerWaalsContact O-N 3.08Å; I253-I256 PolarHBondContact O-N 2.73Å; I256-S260 VanDerWaalsContact O-CB 3.3Å; I256-S260 WeakPolarHBondContact O-CB 3.46Å; I256-S260 PolarHBondContact O-N 3.27Å
257	A	93.9	Very high	92.9	Very high	57 Å²	57	91.9 Å²	91.9	47%	0.471	46%	0.455	S	S	.	.	H	α-helix	trans	-65.7	-41.5	177.1	0	0	0	0	0	112.4	I253 Q254 R255 Q261	I253-A257 WeakPolarHBondContact O-CB 3.44Å; I253-A257 PolarHBondContact O-N 3.44Å; Q254-A257 PolarHBondContact O-N 2.84Å; R255-A257 VanDerWaalsContact C-N 3.29Å; R255-A257 PolarHBondContact O-N 3.2Å; A257-Q261 WeakPolarHBondContact O-CB 3.33Å; A257-Q261 PolarHBondContact O-N 3.35Å
258	K	94.7	Very high	92.9	Very high	134 Å²	134	90.2 Å²	90.2	58%	0.583	45%	0.448	S	S	*	.	H	α-helix	trans	-64.6	-46.4	175	-75.1	176.4	-179.6	-178.2	0	111.4	Q254 R255 S260 Q261 V262	Q254-K258 WeakPolarHBondContact O-CB 3.45Å; Q254-K258 VanDerWaalsContact O-CG 3.31Å; Q254-K258 WeakPolarHBondContact O-CG 3.27Å; Q254-K258 PolarHBondContact O-N 3.4Å; R255-K258 PolarHBondContact O-N 3.06Å; R255-K258 VanDerWaalsContact O-N 3.13Å; K258-S260 PolarHBondContact O-N 3.06Å; K258-Q261 WeakPolarHBondContact O-CB 3.18Å; K258-Q261 PolarHBondContact O-N 3.23Å; K258-Q261 VanDerWaalsContact O-N 3.17Å; K258-V262 WeakPolarHBondContact O-CG2 3.48Å; K258-V262 PolarHBondContact O-N 2.83Å
259	E	93.8	Very high	92.9	Very high	118 Å²	118	92.3 Å²	92.3	55%	0.551	45%	0.45	S	S	*	.	H	α-helix	trans	-59.5	-45.1	176.2	-72.8	164.3	-164	0	0	111.4	R255 Q261 V262 R263	R255-E259 WeakPolarHBondContact O-CB 3.11Å; R255-E259 WeakPolarHBondContact O-CG 3.18Å; R255-E259 PolarHBondContact O-N 2.93Å; E259-Q261 VanDerWaalsContact C-N 3.33Å; E259-Q261 PolarHBondContact O-N 3.31Å; E259-V262 PolarHBondContact O-N 3.44Å; E259-R263 WeakPolarHBondContact O-CB 3.37Å; E259-R263 PolarHBondContact O-N 3.46Å
260	S	90.6	Very high	92.9	Very high	68 Å²	68	95.2 Å²	95.2	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-62.2	-38.8	174.8	177.3	0	0	0	0	112.4	I256 K258 T264	I256-S260 VanDerWaalsContact O-CB 3.3Å; I256-S260 WeakPolarHBondContact O-CB 3.46Å; I256-S260 PolarHBondContact O-N 3.27Å; K258-S260 PolarHBondContact O-N 3.06Å; S260-T264 WeakPolarHBondContact O-CB 3.28Å; S260-T264 PolarHBondContact O-N 3.43Å; S260-T264 PolarHBondContact O-OG1 3.09Å
261	Q	92.2	Very high	92.9	Very high	112 Å²	112	92.3 Å²	92.3	52%	0.523	45%	0.448	S	S	.	.	H	α-helix	trans	-66.4	-44.2	175.3	-172.1	-177.7	21.6	0	0	111.7	A257 K258 E259 T264 K265	A257-Q261 WeakPolarHBondContact O-CB 3.33Å; A257-Q261 PolarHBondContact O-N 3.35Å; K258-Q261 WeakPolarHBondContact O-CB 3.18Å; K258-Q261 PolarHBondContact O-N 3.23Å; K258-Q261 VanDerWaalsContact O-N 3.17Å; E259-Q261 VanDerWaalsContact C-N 3.33Å; E259-Q261 PolarHBondContact O-N 3.31Å; Q261-T264 PolarHBondContact O-N 3.17Å; Q261-K265 WeakPolarHBondContact O-CG 3.24Å; Q261-K265 PolarHBondContact O-N 3.27Å
262	V	94.9	Very high	92.7	Very high	94 Å²	94	93.1 Å²	93.1	57%	0.57	45%	0.447	S	S	*	.	H	α-helix	trans	-62.2	-46.9	176.1	171.3	0	0	0	0	110.3	K258 E259 T264 K265 L266	K258-V262 WeakPolarHBondContact O-CG2 3.48Å; K258-V262 PolarHBondContact O-N 2.83Å; E259-V262 PolarHBondContact O-N 3.44Å; V262-T264 VanDerWaalsContact C-N 3.31Å; V262-T264 PolarHBondContact O-N 2.69Å; V262-K265 PolarHBondContact O-N 2.94Å; V262-K265 VanDerWaalsContact O-N 3.15Å; V262-L266 WeakPolarHBondContact O-CB 3.43Å; V262-L266 PolarHBondContact O-N 3.24Å
263	R	91.9	Very high	92.6	Very high	181 Å²	181	93.8 Å²	93.8	68%	0.683	46%	0.455	S	S	*	.	H	α-helix	trans	-57.3	-44	175.7	-176	177.8	178.4	176.2	1.2	111.8	E259 L266 L267	E259-R263 WeakPolarHBondContact O-CB 3.37Å; E259-R263 PolarHBondContact O-N 3.46Å; R263-L266 PolarHBondContact O-N 3.46Å; R263-L267 HydrophobicContact CG-CD1 4.08Å; R263-L267 WeakPolarHBondContact O-CB 3.22Å; R263-L267 VanDerWaalsContact O-CG 3.29Å; R263-L267 WeakPolarHBondContact O-CG 3.29Å; R263-L267 PolarHBondContact O-N 3.46Å
264	T	89.8	Confident	92.5	Very high	74 Å²	74	93 Å²	93	45%	0.454	45%	0.446	S	S	.	.	H	α-helix	trans	-65.3	-40.1	178	-53.7	0	0	0	0	111.7	S260 Q261 V262 A268	S260-T264 WeakPolarHBondContact O-CB 3.28Å; S260-T264 PolarHBondContact O-N 3.43Å; S260-T264 PolarHBondContact O-OG1 3.09Å; Q261-T264 PolarHBondContact O-N 3.17Å; V262-T264 VanDerWaalsContact C-N 3.31Å; V262-T264 PolarHBondContact O-N 2.69Å; T264-A268 WeakPolarHBondContact O-CB 3.49Å; T264-A268 PolarHBondContact O-N 2.76Å
265	K	92.8	Very high	92.1	Very high	130 Å²	130	91.2 Å²	91.2	57%	0.565	44%	0.438	S	S	*	.	H	α-helix	trans	-66	-44.7	176	-75.8	-178	176.1	-171.9	0	112.1	Q261 V262 A268 E269	Q261-K265 WeakPolarHBondContact O-CG 3.24Å; Q261-K265 PolarHBondContact O-N 3.27Å; V262-K265 PolarHBondContact O-N 2.94Å; V262-K265 VanDerWaalsContact O-N 3.15Å; K265-A268 PolarHBondContact O-N 3.36Å; K265-E269 WeakPolarHBondContact O-CB 3.15Å; K265-E269 PolarHBondContact O-N 2.77Å
266	L	94.3	Very high	91.9	Very high	91 Å²	91	87.6 Å²	87.6	48%	0.476	44%	0.437	S	S	.	.	H	α-helix	trans	-61.8	-44.5	177.5	-175.1	74.2	0	0	0	111.2	V262 R263 A268 E269 K270	V262-L266 WeakPolarHBondContact O-CB 3.43Å; V262-L266 PolarHBondContact O-N 3.24Å; R263-L266 PolarHBondContact O-N 3.46Å; L266-A268 VanDerWaalsContact C-N 3.35Å; L266-A268 PolarHBondContact O-N 3.1Å; L266-E269 PolarHBondContact O-N 3.33Å; L266-K270 WeakPolarHBondContact O-CG 3.21Å; L266-K270 PolarHBondContact O-N 3.06Å
267	L	92.1	Very high	91.8	Very high	68 Å²	68	86.4 Å²	86.4	36%	0.356	44%	0.44	S	S	.	.	H	α-helix	trans	-62.1	-41.9	175.2	-74.3	168.6	0	0	0	111.8	R263 E269 A271 L364	R263-L267 HydrophobicContact CG-CD1 4.08Å; R263-L267 WeakPolarHBondContact O-CB 3.22Å; R263-L267 VanDerWaalsContact O-CG 3.29Å; R263-L267 WeakPolarHBondContact O-CG 3.29Å; R263-L267 PolarHBondContact O-N 3.46Å; L267-E269 VanDerWaalsContact C-N 3.33Å; L267-A271 WeakPolarHBondContact O-CB 3.39Å; L267-A271 PolarHBondContact O-N 2.91Å; L267-L364 HydrophobicContact CB-CD1 3.91Å
268	A	92.2	Very high	91.6	Very high	13 Å²	13	88.8 Å²	88.8	11%	0.107	44%	0.441	C	S	.	.	H	α-helix	trans	-67.3	-33.2	175.8	0	0	0	0	0	112.6	T264 K265 L266 R272 Y357 L364	T264-A268 WeakPolarHBondContact O-CB 3.49Å; T264-A268 PolarHBondContact O-N 2.76Å; K265-A268 PolarHBondContact O-N 3.36Å; L266-A268 VanDerWaalsContact C-N 3.35Å; L266-A268 PolarHBondContact O-N 3.1Å; A268-R272 WeakPolarHBondContact O-CG 3.19Å; A268-R272 PolarHBondContact O-N 3.11Å; A268-R272 VanDerWaalsContact O-N 3.13Å; A268-R272 PolarHBondContact O-NH1 3.23Å; A268-Y357 HydrophobicContact CB-CE2 4.45Å; A268-L364 HydrophobicContact CB-CD1 4.26Å
269	E	92.2	Very high	91.2	Very high	89 Å²	89	88.6 Å²	88.6	42%	0.416	45%	0.446	S	S	.	.	H	α-helix	trans	-71.4	-45.8	175.9	-175.8	170.5	-167.4	0	0	112.5	K265 L266 L267 A271 R272 Q273	K265-E269 WeakPolarHBondContact O-CB 3.15Å; K265-E269 PolarHBondContact O-N 2.77Å; L266-E269 PolarHBondContact O-N 3.33Å; L267-E269 VanDerWaalsContact C-N 3.33Å; E269-A271 VanDerWaalsContact C-N 3.29Å; E269-A271 PolarHBondContact O-N 3.38Å; E269-R272 PolarHBondContact O-N 2.94Å; E269-R272 VanDerWaalsContact O-N 3.16Å; E269-Q273 WeakPolarHBondContact O-CG 3.38Å; E269-Q273 PolarHBondContact O-N 2.82Å
270	K	92.6	Very high	90.8	Very high	96 Å²	96	87.3 Å²	87.3	42%	0.417	44%	0.443	S	S	.	.	H	α-helix	trans	-58.3	-41.8	172	-73.2	-172.1	175.1	-165.1	0	111.7	L266 R272 Q273 R274	L266-K270 WeakPolarHBondContact O-CG 3.21Å; L266-K270 PolarHBondContact O-N 3.06Å; K270-R272 PolarHBondContact O-N 3.22Å; K270-Q273 PolarHBondContact O-N 3.12Å; K270-R274 WeakPolarHBondContact O-CG 3.46Å; K270-R274 PolarHBondContact O-N 2.96Å
271	A	91	Very high	90.6	Very high	9 Å²	9	89.9 Å²	89.9	7%	0.074	45%	0.447	C	S	.	.	H	α-helix	trans	-60.3	-42.9	175.1	0	0	0	0	0	112.2	L267 E269 R274 E275 Y357	L267-A271 WeakPolarHBondContact O-CB 3.39Å; L267-A271 PolarHBondContact O-N 2.91Å; E269-A271 VanDerWaalsContact C-N 3.29Å; E269-A271 PolarHBondContact O-N 3.38Å; A271-R274 PolarHBondContact O-N 2.94Å; A271-E275 WeakPolarHBondContact O-CB 3.2Å; A271-E275 PolarHBondContact O-N 3.47Å; A271-Y357 HydrophobicContact CB-CD1 4.26Å; A271-Y357 HydrophobicContact CB-CG 4.19Å
272	R	89.5	Confident	90.2	Very high	105 Å²	105	87 Å²	87	40%	0.396	44%	0.443	S	S	.	.	H	α-helix	trans	-64.8	-39.3	174.4	-73	-169	-55.8	-82.3	-2.4	113	A268 E269 K270 E275 A276 Y357	A268-R272 WeakPolarHBondContact O-CG 3.19Å; A268-R272 PolarHBondContact O-N 3.11Å; A268-R272 VanDerWaalsContact O-N 3.13Å; A268-R272 PolarHBondContact O-NH1 3.23Å; E269-R272 PolarHBondContact O-N 2.94Å; E269-R272 VanDerWaalsContact O-N 3.16Å; K270-R272 PolarHBondContact O-N 3.22Å; R272-E275 PolarHBondContact O-N 2.89Å; R272-A276 WeakPolarHBondContact O-CB 3.34Å; R272-A276 PolarHBondContact O-N 2.99Å; R272-Y357 HydrophobicContact CG-CE1 4.27Å; R272-Y357 WeakPolarHBondContact CG-OH 3.39Å
273	Q	91.3	Very high	89.5	Confident	116 Å²	116	89.9 Å²	89.9	54%	0.542	44%	0.444	S	S	.	.	H	α-helix	trans	-65.5	-41.3	177.8	-73.5	175	-3.1	0	0	111.6	E269 K270 A276 A277	E269-Q273 WeakPolarHBondContact O-CG 3.38Å; E269-Q273 PolarHBondContact O-N 2.82Å; K270-Q273 PolarHBondContact O-N 3.12Å; Q273-A276 PolarHBondContact O-N 3.31Å; Q273-A277 WeakPolarHBondContact O-CB 3.34Å; Q273-A277 PolarHBondContact O-N 2.88Å
274	R	90.2	Very high	88.9	Confident	67 Å²	67	84.8 Å²	84.8	25%	0.253	43%	0.43	S	S	.	.	H	α-helix	trans	-64.1	-45.3	174.6	-72	-175.2	-172.4	119.7	7.6	112.3	K270 A271 A276 A277 Q278 E350	K270-R274 WeakPolarHBondContact O-CG 3.46Å; K270-R274 PolarHBondContact O-N 2.96Å; A271-R274 PolarHBondContact O-N 2.94Å; R274-A276 VanDerWaalsContact C-N 3.31Å; R274-A276 PolarHBondContact O-N 3.35Å; R274-A277 PolarHBondContact O-N 3.41Å; R274-Q278 WeakPolarHBondContact O-CB 3.47Å; R274-Q278 WeakPolarHBondContact O-CG 3.41Å; R274-Q278 PolarHBondContact O-N 3.43Å; R274-E350 IonicContact CZ-OE1 2.66Å; R274-E350 IonicContact CZ-OE2 3.47Å; R274-E350 IonicContact NE-OE2 3.99Å; R274-E350 IonicContact NH1-OE1 2.9Å; R274-E350 IonicContact NH2-OE1 2.79Å; R274-E350 PolarHBondContact NH2-OE1 2.96Å; R274-E350 IonicContact NH2-OE2 3.11Å; R274-E350 PolarHBondContact NH2-OE2 3.47Å
275	E	86.8	Confident	88.4	Confident	76 Å²	76	86.1 Å²	86.1	36%	0.355	43%	0.434	S	S	.	.	H	α-helix	trans	-62.2	-39.9	176.8	-172.2	179.5	-179.6	0	0	111.7	A271 R272 L279 V359	A271-E275 WeakPolarHBondContact O-CB 3.2Å; A271-E275 PolarHBondContact O-N 3.47Å; R272-E275 PolarHBondContact O-N 2.89Å; E275-L279 WeakPolarHBondContact O-CB 3.44Å; E275-L279 PolarHBondContact O-N 2.82Å; E275-V359 WeakPolarHBondContact OE1-CG1 3.5Å; E275-V359 WeakPolarHBondContact OE1-CG2 3.49Å; E275-V359 VanDerWaalsContact OE2-CG2 3.28Å; E275-V359 WeakPolarHBondContact OE2-CG2 3.44Å
276	A	89.7	Confident	87.5	Confident	59 Å²	59	85.6 Å²	85.6	49%	0.488	43%	0.434	S	S	.	.	H	α-helix	trans	-65.6	-40.6	174.2	0	0	0	0	0	112.5	R272 Q273 R274 L279 D280	R272-A276 WeakPolarHBondContact O-CB 3.34Å; R272-A276 PolarHBondContact O-N 2.99Å; Q273-A276 PolarHBondContact O-N 3.31Å; R274-A276 VanDerWaalsContact C-N 3.31Å; R274-A276 PolarHBondContact O-N 3.35Å; A276-L279 PolarHBondContact O-N 3.02Å; A276-D280 PolarHBondContact O-N 3.44Å
277	A	91.6	Very high	86.5	Confident	58 Å²	58	84.7 Å²	84.7	48%	0.479	43%	0.432	S	S	.	.	H	α-helix	trans	-66.8	-41.4	176.4	0	0	0	0	0	112.1	Q273 R274 L279 D280 E281	Q273-A277 WeakPolarHBondContact O-CB 3.34Å; Q273-A277 PolarHBondContact O-N 2.88Å; R274-A277 PolarHBondContact O-N 3.41Å; A277-L279 VanDerWaalsContact C-N 3.29Å; A277-L279 PolarHBondContact O-N 3.23Å; A277-D280 PolarHBondContact O-N 3.39Å; A277-E281 WeakPolarHBondContact O-CB 3.43Å; A277-E281 PolarHBondContact O-N 3.29Å
278	Q	90.3	Very high	85.7	Confident	106 Å²	106	85.5 Å²	85.5	50%	0.495	45%	0.449	S	S	.	.	H	α-helix	trans	-62.4	-36.9	174.1	-74.1	172.8	18.8	0	0	111.7	R274 A282	R274-Q278 WeakPolarHBondContact O-CB 3.47Å; R274-Q278 WeakPolarHBondContact O-CG 3.41Å; R274-Q278 PolarHBondContact O-N 3.43Å; Q278-A282 VanDerWaalsContact O-CB 3.26Å; Q278-A282 WeakPolarHBondContact O-CB 3.46Å; Q278-A282 PolarHBondContact O-N 2.98Å
279	L	85.1	Confident	84.4	Confident	130 Å²	130	93.9 Å²	93.9	68%	0.681	48%	0.483	S	S	*	.	H	α-helix	trans	-69.6	-39.3	175.8	-171.1	68.3	0	0	0	111.8	E275 A276 A277 W283	E275-L279 WeakPolarHBondContact O-CB 3.44Å; E275-L279 PolarHBondContact O-N 2.82Å; A276-L279 PolarHBondContact O-N 3.02Å; A277-L279 VanDerWaalsContact C-N 3.29Å; A277-L279 PolarHBondContact O-N 3.23Å; L279-W283 WeakPolarHBondContact O-CB 3.39Å; L279-W283 PolarHBondContact O-N 3.49Å
280	D	85.4	Confident	82.8	Confident	92 Å²	92	90.5 Å²	90.5	49%	0.492	47%	0.472	S	S	.	.	H	α-helix	trans	-67.3	-43.2	176.4	-166.6	68.7	0	0	0	111.8	A276 A277 W283 N284	A276-D280 PolarHBondContact O-N 3.44Å; A277-D280 PolarHBondContact O-N 3.39Å; D280-W283 PolarHBondContact O-N 3.26Å; D280-N284 WeakPolarHBondContact O-CB 3.4Å; D280-N284 VanDerWaalsContact O-CG 3.23Å; D280-N284 PolarHBondContact O-N 2.87Å; D280-N284 PolarHBondContact O-ND2 2.99Å; D280-N284 VanDerWaalsContact O-ND2 3.16Å; D280-N284 PolarHBondContact OD2-ND2 3.36Å
281	E	86.9	Confident	81.2	Confident	121 Å²	121	87.5 Å²	87.5	57%	0.565	47%	0.468	S	S	*	.	H	α-helix	trans	-61.3	-46.6	173.6	-174	173.3	-161.1	0	0	111.3	A277 W283 N284 D285	A277-E281 WeakPolarHBondContact O-CB 3.43Å; A277-E281 PolarHBondContact O-N 3.29Å; E281-W283 VanDerWaalsContact C-N 3.28Å; E281-W283 PolarHBondContact O-N 3Å; E281-N284 PolarHBondContact O-N 3.29Å; E281-D285 WeakPolarHBondContact O-CB 3.49Å; E281-D285 PolarHBondContact O-N 2.84Å
282	A	84.7	Confident	79.5	Confident	53 Å²	53	91.7 Å²	91.7	44%	0.438	49%	0.488	S	S	.	.	H	α-helix	trans	-61.4	-36.4	175.5	0	0	0	0	0	112.7	Q278 E286	Q278-A282 VanDerWaalsContact O-CB 3.26Å; Q278-A282 WeakPolarHBondContact O-CB 3.46Å; Q278-A282 PolarHBondContact O-N 2.98Å; A282-E286 WeakPolarHBondContact O-CB 3.43Å; A282-E286 PolarHBondContact O-N 3.39Å
283	W	79.4	Confident	77.9	Confident	154 Å²	154	89.6 Å²	89.6	58%	0.583	49%	0.494	S	S	*	.	H	α-helix	trans	-69.4	-43.1	175	-176	70.6	0	0	0	111.7	L279 D280 E281 D285 E286 V287	L279-W283 WeakPolarHBondContact O-CB 3.39Å; L279-W283 PolarHBondContact O-N 3.49Å; D280-W283 PolarHBondContact O-N 3.26Å; E281-W283 VanDerWaalsContact C-N 3.28Å; E281-W283 PolarHBondContact O-N 3Å; W283-D285 VanDerWaalsContact C-N 3.35Å; W283-D285 PolarHBondContact O-N 3.34Å; W283-E286 PolarHBondContact O-N 2.94Å; W283-V287 HydrophobicContact CD2-CG2 4.21Å; W283-V287 HydrophobicContact CZ2-CG2 4.08Å; W283-V287 WeakPolarHBondContact O-CB 3.21Å; W283-V287 VanDerWaalsContact O-CG2 3.26Å; W283-V287 WeakPolarHBondContact O-CG2 3.17Å; W283-V287 PolarHBondContact O-N 3.33Å
284	N	80	Confident	76.6	Confident	74 Å²	74	86.6 Å²	86.6	40%	0.396	49%	0.485	S	S	.	.	H	α-helix	trans	-62.8	-40.6	176	-71.5	-32.8	0	0	0	111.6	D280 E281 V287 A288	D280-N284 WeakPolarHBondContact O-CB 3.4Å; D280-N284 VanDerWaalsContact O-CG 3.23Å; D280-N284 PolarHBondContact O-N 2.87Å; D280-N284 PolarHBondContact O-ND2 2.99Å; D280-N284 VanDerWaalsContact O-ND2 3.16Å; D280-N284 PolarHBondContact OD2-ND2 3.36Å; E281-N284 PolarHBondContact O-N 3.29Å; N284-V287 PolarHBondContact O-N 2.85Å; N284-A288 WeakPolarHBondContact O-CB 3.38Å; N284-A288 PolarHBondContact O-N 3.49Å
285	D	79.1	Confident	75.1	Confident	102 Å²	102	88.9 Å²	88.9	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-64.4	-41.8	174.4	-80	-11.1	0	0	0	112	E281 W283 V287 A288 F289	E281-D285 WeakPolarHBondContact O-CB 3.49Å; E281-D285 PolarHBondContact O-N 2.84Å; W283-D285 VanDerWaalsContact C-N 3.35Å; W283-D285 PolarHBondContact O-N 3.34Å; D285-V287 VanDerWaalsContact C-N 3.34Å; D285-A288 PolarHBondContact O-N 2.95Å; D285-F289 WeakPolarHBondContact O-CB 3.46Å; D285-F289 PolarHBondContact O-N 2.88Å
286	E	74.4	Confident	74.1	Confident	118 Å²	118	91.9 Å²	91.9	55%	0.551	51%	0.507	S	S	*	.	H	α-helix	trans	-67	-36.3	177.4	-172.3	164	-155.8	0	0	112	A282 W283 G291	A282-E286 WeakPolarHBondContact O-CB 3.43Å; A282-E286 PolarHBondContact O-N 3.39Å; W283-E286 PolarHBondContact O-N 2.94Å; E286-G291 PolarHBondContact O-N 3.46Å
287	V	73.1	Confident	73.1	Confident	73 Å²	73	91.6 Å²	91.6	44%	0.442	50%	0.501	S	S	.	.	H	α-helix	trans	-68.3	-44.8	172.1	173.1	0	0	0	0	111	W283 N284 D285 G290	W283-V287 HydrophobicContact CD2-CG2 4.21Å; W283-V287 HydrophobicContact CZ2-CG2 4.08Å; W283-V287 WeakPolarHBondContact O-CB 3.21Å; W283-V287 VanDerWaalsContact O-CG2 3.26Å; W283-V287 WeakPolarHBondContact O-CG2 3.17Å; W283-V287 PolarHBondContact O-N 3.33Å; N284-V287 PolarHBondContact O-N 2.85Å; D285-V287 VanDerWaalsContact C-N 3.34Å; V287-G290 PolarHBondContact O-N 2.93Å
288	A	74.9	Confident	72.2	Confident	85 Å²	85	94.9 Å²	94.9	70%	0.702	51%	0.507	S	S	*	.	H	α-helix	trans	-69.6	-34.3	-179.2	0	0	0	0	0	113.1	N284 D285 G290	N284-A288 WeakPolarHBondContact O-CB 3.38Å; N284-A288 PolarHBondContact O-N 3.49Å; D285-A288 PolarHBondContact O-N 2.95Å; A288-G290 PolarHBondContact O-N 3.17Å; A288-G290 VanDerWaalsContact O-N 3.17Å
289	F	64.2	Low	71.4	Confident	188 Å²	188	96 Å²	96	83%	0.825	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-1.3	174.2	-166.5	-101	0	0	0	112.8	D285 G291	D285-F289 WeakPolarHBondContact O-CB 3.46Å; D285-F289 PolarHBondContact O-N 2.88Å; F289-G291 VanDerWaalsContact C-N 3.27Å; F289-G291 PolarHBondContact O-N 3.33Å
290	G	58.5	Low	70.9	Confident	18 Å²	18	95.9 Å²	95.9	19%	0.186	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	17.6	174.2	0	0	0	0	0	114.2	V287 A288 I292 S294	V287-G290 PolarHBondContact O-N 2.93Å; A288-G290 PolarHBondContact O-N 3.17Å; A288-G290 VanDerWaalsContact O-N 3.17Å; G290-I292 VanDerWaalsContact C-N 3.32Å; G290-I292 PolarHBondContact O-N 3.02Å; G290-S294 VanDerWaalsContact O-CB 3.24Å; G290-S294 WeakPolarHBondContact O-CB 3.47Å
291	G	58.6	Low	70.5	Confident	33 Å²	33	96.6 Å²	96.6	34%	0.34	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.3	-161.4	0	0	0	0	0	116.5	E286 F289	E286-G291 PolarHBondContact O-N 3.46Å; F289-G291 VanDerWaalsContact C-N 3.27Å; F289-G291 PolarHBondContact O-N 3.33Å
292	I	55.2	Low	70.1	Confident	98 Å²	98	93.7 Å²	93.7	50%	0.503	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.9	-43.1	171.6	-83.4	111.7	0	0	0	111.3	G290 Q295 W296	G290-I292 VanDerWaalsContact C-N 3.32Å; G290-I292 PolarHBondContact O-N 3.02Å; I292-Q295 PolarHBondContact O-N 3.47Å; I292-W296 PolarHBondContact O-N 3.45Å
293	A	57.5	Low	69.9	Low	61 Å²	61	94.9 Å²	94.9	50%	0.504	50%	0.5	S	S	.	.	H	α-helix	trans	-67.1	-41.4	-176.9	0	0	0	0	0	113.4	Q295 W296 S297	A293-Q295 VanDerWaalsContact C-N 3.33Å; A293-W296 PolarHBondContact O-N 2.94Å; A293-S297 WeakPolarHBondContact O-CB 3.46Å; A293-S297 PolarHBondContact O-N 3.32Å
294	S	63.6	Low	69.9	Low	53 Å²	53	91.5 Å²	91.5	37%	0.371	49%	0.492	S	S	.	.	H	α-helix	trans	-65.5	-39.3	175.5	-160.6	0	0	0	0	111.2	G290 W296 S297 E298	G290-S294 VanDerWaalsContact O-CB 3.24Å; G290-S294 WeakPolarHBondContact O-CB 3.47Å; S294-W296 VanDerWaalsContact C-N 3.33Å; S294-W296 PolarHBondContact O-N 3.08Å; S294-S297 PolarHBondContact O-N 2.76Å; S294-E298 WeakPolarHBondContact O-CG 3.44Å; S294-E298 PolarHBondContact O-N 3.14Å
295	Q	59.2	Low	69.9	Low	114 Å²	114	94.4 Å²	94.4	53%	0.533	50%	0.501	S	S	.	.	H	α-helix	trans	-67.3	-34.2	-179.3	-154	174.5	58.7	0	0	112.4	I292 A293 Q299	I292-Q295 PolarHBondContact O-N 3.47Å; A293-Q295 VanDerWaalsContact C-N 3.33Å; Q295-Q299 WeakPolarHBondContact O-CG 3.38Å; Q295-Q299 PolarHBondContact O-N 3.47Å
296	W	65.4	Low	69.9	Low	140 Å²	140	95.6 Å²	95.6	53%	0.53	50%	0.498	S	S	.	.	H	α-helix	trans	-78.6	-37.6	174.4	-74.3	50.3	0	0	0	111.9	I292 A293 S294 Q299 F300	I292-W296 PolarHBondContact O-N 3.45Å; A293-W296 PolarHBondContact O-N 2.94Å; S294-W296 VanDerWaalsContact C-N 3.33Å; S294-W296 PolarHBondContact O-N 3.08Å; W296-Q299 PolarHBondContact O-N 3.34Å; W296-F300 HydrophobicContact CE3-CE2 4.07Å; W296-F300 WeakPolarHBondContact O-CB 3.4Å; W296-F300 WeakPolarHBondContact O-CD2 3.41Å; W296-F300 PolarHBondContact O-N 3.23Å
297	S	68.5	Low	70	Confident	52 Å²	52	94.1 Å²	94.1	36%	0.364	49%	0.494	S	S	.	.	H	α-helix	trans	-58.5	-49.2	174.5	149.6	0	0	0	0	111.5	A293 S294 Q299 F300 E301	A293-S297 WeakPolarHBondContact O-CB 3.46Å; A293-S297 PolarHBondContact O-N 3.32Å; S294-S297 PolarHBondContact O-N 2.76Å; S297-Q299 PolarHBondContact O-N 2.94Å; S297-F300 PolarHBondContact O-N 3.16Å; S297-E301 VanDerWaalsContact O-CB 3.31Å; S297-E301 WeakPolarHBondContact O-CB 3.49Å; S297-E301 WeakPolarHBondContact O-CG 3.31Å; S297-E301 PolarHBondContact O-N 2.94Å
298	E	72.3	Confident	70	Confident	128 Å²	128	96 Å²	96	60%	0.598	50%	0.497	S	S	*	.	H	α-helix	trans	-63.8	-40.7	179.2	-73	177	-170.1	0	0	112.2	S294 A302	S294-E298 WeakPolarHBondContact O-CG 3.44Å; S294-E298 PolarHBondContact O-N 3.14Å; E298-A302 VanDerWaalsContact O-CB 3.22Å; E298-A302 WeakPolarHBondContact O-CB 3.28Å; E298-A302 PolarHBondContact O-N 2.93Å
299	Q	73.1	Confident	69.8	Low	129 Å²	129	93.2 Å²	93.2	60%	0.603	48%	0.475	S	S	*	.	H	α-helix	trans	-67.4	-43.4	177	-77.4	-178.5	-5.1	0	0	112.3	Q295 W296 S297 A302 E303	Q295-Q299 WeakPolarHBondContact O-CG 3.38Å; Q295-Q299 PolarHBondContact O-N 3.47Å; W296-Q299 PolarHBondContact O-N 3.34Å; S297-Q299 PolarHBondContact O-N 2.94Å; Q299-A302 PolarHBondContact O-N 3.48Å; Q299-E303 WeakPolarHBondContact O-CB 3.37Å; Q299-E303 PolarHBondContact O-N 3.47Å
300	F	75.1	Confident	70.3	Confident	127 Å²	127	90.9 Å²	90.9	56%	0.557	47%	0.466	S	S	*	.	H	α-helix	trans	-66.9	-41.8	176.2	-96.6	-80.2	0	0	0	111.8	W296 S297 E303 I304	W296-F300 HydrophobicContact CE3-CE2 4.07Å; W296-F300 WeakPolarHBondContact O-CB 3.4Å; W296-F300 WeakPolarHBondContact O-CD2 3.41Å; W296-F300 PolarHBondContact O-N 3.23Å; S297-F300 PolarHBondContact O-N 3.16Å; F300-E303 PolarHBondContact O-N 2.99Å; F300-I304 WeakPolarHBondContact O-CB 3.22Å; F300-I304 VanDerWaalsContact O-CG1 3.27Å; F300-I304 WeakPolarHBondContact O-CG1 3.43Å; F300-I304 PolarHBondContact O-N 3.03Å
301	E	76.5	Confident	70.6	Confident	107 Å²	107	97.2 Å²	97.2	50%	0.5	50%	0.495	S	S	.	.	H	α-helix	trans	-65.1	-39.1	176.1	-79.7	-175	-165.7	0	0	112.1	S297 I304 K305	S297-E301 VanDerWaalsContact O-CB 3.31Å; S297-E301 WeakPolarHBondContact O-CB 3.49Å; S297-E301 WeakPolarHBondContact O-CG 3.31Å; S297-E301 PolarHBondContact O-N 2.94Å; E301-I304 PolarHBondContact O-N 3.37Å; E301-K305 WeakPolarHBondContact O-CB 3.11Å; E301-K305 WeakPolarHBondContact O-CG 3.36Å; E301-K305 PolarHBondContact O-N 3.45Å
302	A	79.7	Confident	70.8	Confident	60 Å²	60	101.2 Å²	101.2	50%	0.496	51%	0.509	S	S	.	.	H	α-helix	trans	-64.8	-41	174.1	0	0	0	0	0	111.5	E298 Q299 R306	E298-A302 VanDerWaalsContact O-CB 3.22Å; E298-A302 WeakPolarHBondContact O-CB 3.28Å; E298-A302 PolarHBondContact O-N 2.93Å; Q299-A302 PolarHBondContact O-N 3.48Å; A302-R306 WeakPolarHBondContact O-CB 3.22Å; A302-R306 PolarHBondContact O-N 2.8Å
303	E	79.6	Confident	70.8	Confident	78 Å²	78	99.9 Å²	99.9	36%	0.364	52%	0.519	S	S	.	.	H	α-helix	trans	-67.6	-41.7	176.5	-170.6	68	-173	0	0	111.7	Q299 F300 R306 L307	Q299-E303 WeakPolarHBondContact O-CB 3.37Å; Q299-E303 PolarHBondContact O-N 3.47Å; F300-E303 PolarHBondContact O-N 2.99Å; E303-R306 VanDerWaalsContact CD-NH1 3.27Å; E303-R306 WeakPolarHBondContact O-CB 3.03Å; E303-R306 PolarHBondContact O-N 3.4Å; E303-R306 IonicContact OE1-CZ 3.41Å; E303-R306 IonicContact OE1-NH1 3.91Å; E303-R306 PolarHBondContact OE1-NH1 3Å; E303-R306 IonicContact OE1-NH2 3.66Å; E303-R306 PolarHBondContact OE1-NH2 3.08Å; E303-R306 IonicContact OE2-CZ 3.57Å; E303-R306 IonicContact OE2-NH1 2.61Å; E303-R306 PolarHBondContact OE2-NH1 2.99Å; E303-R306 IonicContact OE2-NH2 2.64Å; E303-L307 HydrophobicContact CG-CD1 4.31Å; E303-L307 WeakPolarHBondContact O-CB 3.49Å; E303-L307 VanDerWaalsContact O-CG 3.31Å; E303-L307 WeakPolarHBondContact O-CG 3.46Å; E303-L307 PolarHBondContact O-N 3.36Å
304	I	79	Confident	70.6	Confident	83 Å²	83	102.3 Å²	102.3	43%	0.426	52%	0.522	S	S	.	.	H	α-helix	trans	-62.2	-48.8	174.5	-72.1	173.8	0	0	0	110.2	F300 E301 R306 L307 E308	F300-I304 WeakPolarHBondContact O-CB 3.22Å; F300-I304 VanDerWaalsContact O-CG1 3.27Å; F300-I304 WeakPolarHBondContact O-CG1 3.43Å; F300-I304 PolarHBondContact O-N 3.03Å; E301-I304 PolarHBondContact O-N 3.37Å; I304-R306 VanDerWaalsContact C-N 3.25Å; I304-R306 PolarHBondContact O-N 3.38Å; I304-L307 CarbonylContact O-C 3.6Å; I304-L307 PolarHBondContact O-N 3.02Å; I304-L307 VanDerWaalsContact O-N 3.12Å; I304-E308 HydrophobicContact CG2-CG 4.16Å; I304-E308 WeakPolarHBondContact O-CB 3.37Å; I304-E308 WeakPolarHBondContact O-CG 3.38Å; I304-E308 PolarHBondContact O-N 3.15Å
305	K	79.7	Confident	70	Confident	135 Å²	135	106 Å²	106	59%	0.587	54%	0.538	S	S	*	.	H	α-helix	trans	-59.2	-36.7	175.7	-83.7	174.6	179.5	157.4	0	112.5	E301 A309	E301-K305 WeakPolarHBondContact O-CB 3.11Å; E301-K305 WeakPolarHBondContact O-CG 3.36Å; E301-K305 PolarHBondContact O-N 3.45Å; K305-A309 VanDerWaalsContact O-CB 3.31Å; K305-A309 WeakPolarHBondContact O-CB 3.47Å; K305-A309 PolarHBondContact O-N 3.27Å
306	R	79.4	Confident	69.8	Low	128 Å²	128	107.2 Å²	107.2	48%	0.483	55%	0.547	S	S	.	.	H	α-helix	trans	-65.4	-45.7	175.3	-162.3	-164.7	81.5	-145.8	-9.6	111	A302 E303 I304 A309 E310	A302-R306 WeakPolarHBondContact O-CB 3.22Å; A302-R306 PolarHBondContact O-N 2.8Å; E303-R306 VanDerWaalsContact CD-NH1 3.27Å; E303-R306 WeakPolarHBondContact O-CB 3.03Å; E303-R306 PolarHBondContact O-N 3.4Å; E303-R306 IonicContact OE1-CZ 3.41Å; E303-R306 IonicContact OE1-NH1 3.91Å; E303-R306 PolarHBondContact OE1-NH1 3Å; E303-R306 IonicContact OE1-NH2 3.66Å; E303-R306 PolarHBondContact OE1-NH2 3.08Å; E303-R306 IonicContact OE2-CZ 3.57Å; E303-R306 IonicContact OE2-NH1 2.61Å; E303-R306 PolarHBondContact OE2-NH1 2.99Å; E303-R306 IonicContact OE2-NH2 2.64Å; I304-R306 VanDerWaalsContact C-N 3.25Å; I304-R306 PolarHBondContact O-N 3.38Å; R306-A309 PolarHBondContact O-N 3.17Å; R306-E310 WeakPolarHBondContact O-CB 3.28Å; R306-E310 PolarHBondContact O-N 3.38Å
307	L	76.5	Confident	69.5	Low	87 Å²	87	107.4 Å²	107.4	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-66.9	-37.9	177.9	-70.8	170.3	0	0	0	112.3	E303 I304 E310 L311	E303-L307 HydrophobicContact CG-CD1 4.31Å; E303-L307 WeakPolarHBondContact O-CB 3.49Å; E303-L307 VanDerWaalsContact O-CG 3.31Å; E303-L307 WeakPolarHBondContact O-CG 3.46Å; E303-L307 PolarHBondContact O-N 3.36Å; I304-L307 CarbonylContact O-C 3.6Å; I304-L307 PolarHBondContact O-N 3.02Å; I304-L307 VanDerWaalsContact O-N 3.12Å; L307-E310 PolarHBondContact O-N 2.81Å; L307-L311 WeakPolarHBondContact O-CB 3.48Å; L307-L311 PolarHBondContact O-N 2.94Å
308	E	74.5	Confident	68.6	Low	111 Å²	111	111.6 Å²	111.6	52%	0.519	58%	0.577	S	S	.	*	H	α-helix	trans	-63.7	-46	173.4	-74.9	176.4	164.7	0	0	111.1	I304 E310 L311 D312	I304-E308 HydrophobicContact CG2-CG 4.16Å; I304-E308 WeakPolarHBondContact O-CB 3.37Å; I304-E308 WeakPolarHBondContact O-CG 3.38Å; I304-E308 PolarHBondContact O-N 3.15Å; E308-E310 VanDerWaalsContact C-N 3.31Å; E308-E310 PolarHBondContact O-N 2.84Å; E308-L311 PolarHBondContact O-N 3.13Å; E308-D312 WeakPolarHBondContact O-CB 3.46Å; E308-D312 PolarHBondContact O-N 3.48Å
309	A	70.7	Confident	67.3	Low	27 Å²	27	110.6 Å²	110.6	22%	0.223	58%	0.582	C	S	.	*	H	α-helix	trans	-63.4	-35.9	175.7	0	0	0	0	0	112.8	K305 R306 G313 L316	K305-A309 VanDerWaalsContact O-CB 3.31Å; K305-A309 WeakPolarHBondContact O-CB 3.47Å; K305-A309 PolarHBondContact O-N 3.27Å; R306-A309 PolarHBondContact O-N 3.17Å; A309-G313 PolarHBondContact O-N 3.31Å; A309-L316 HydrophobicContact CB-CD1 3.66Å
310	E	74.5	Confident	66.1	Low	140 Å²	140	111.5 Å²	111.5	65%	0.654	59%	0.59	S	S	*	*	H	α-helix	trans	-70.3	-33.5	175.5	-170.4	160.8	-166.3	0	0	112.1	R306 L307 E308	R306-E310 WeakPolarHBondContact O-CB 3.28Å; R306-E310 PolarHBondContact O-N 3.38Å; L307-E310 PolarHBondContact O-N 2.81Å; E308-E310 VanDerWaalsContact C-N 3.31Å; E308-E310 PolarHBondContact O-N 2.84Å
311	L	63.8	Low	64.7	Low	151 Å²	151	113.2 Å²	113.2	79%	0.791	60%	0.6	S	S	*	*	H	α-helix	trans	-78.6	-34.2	178	-167.7	64.7	0	0	0	113.2	L307 E308 G313	L307-L311 WeakPolarHBondContact O-CB 3.48Å; L307-L311 PolarHBondContact O-N 2.94Å; E308-L311 PolarHBondContact O-N 3.13Å; L311-G313 VanDerWaalsContact C-N 3.25Å; L311-G313 PolarHBondContact O-N 2.84Å
312	D	62	Low	63	Low	117 Å²	117	117.2 Å²	117.2	63%	0.626	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-0.9	178.3	-78.6	-18.4	0	0	0	113.6	E308 I314	E308-D312 WeakPolarHBondContact O-CB 3.46Å; E308-D312 PolarHBondContact O-N 3.48Å; D312-I314 HydrophobicContact CB-CD1 3.88Å; D312-I314 HydrophobicContact CB-CG1 3.84Å; D312-I314 WeakPolarHBondContact O-CG1 3.36Å; D312-I314 PolarHBondContact O-N 2.67Å
313	G	56.7	Low	61	Low	70 Å²	70	119.6 Å²	119.6	72%	0.722	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.7	22.3	174.5	0	0	0	0	0	114	A309 L311 N315	A309-G313 PolarHBondContact O-N 3.31Å; L311-G313 VanDerWaalsContact C-N 3.25Å; L311-G313 PolarHBondContact O-N 2.84Å; G313-N315 PolarHBondContact O-N 2.91Å
314	I	53.6	Low	59.3	Low	111 Å²	111	121.5 Å²	121.5	57%	0.569	65%	0.651	S	S	*	*			trans	-90.9	105.4	-177.1	-45.3	177.5	0	0	0	108.2	D312 L316	D312-I314 HydrophobicContact CB-CD1 3.88Å; D312-I314 HydrophobicContact CB-CG1 3.84Å; D312-I314 WeakPolarHBondContact O-CG1 3.36Å; D312-I314 PolarHBondContact O-N 2.67Å; I314-L316 PolarHBondContact O-N 3.37Å; I314-L316 VanDerWaalsContact O-N 3.15Å
315	N	49.3	Very low	57.5	Low	131 Å²	131	127.3 Å²	127.3	70%	0.701	67%	0.673	S	S	*	*			trans	-68.9	107	175.5	-163.1	-12.8	0	0	0	109.5	G313 D317	G313-N315 PolarHBondContact O-N 2.91Å; N315-D317 PolarHBondContact O-N 3.39Å
316	L	56.5	Low	55.7	Low	139 Å²	139	124.5 Å²	124.5	73%	0.728	68%	0.682	S	S	*	*			trans	-75.8	6.1	-174.4	-106.1	113.9	0	0	0	114.8	A309 I314 D318	A309-L316 HydrophobicContact CB-CD1 3.66Å; I314-L316 PolarHBondContact O-N 3.37Å; I314-L316 VanDerWaalsContact O-N 3.15Å; L316-D318 PolarHBondContact O-N 2.98Å
317	D	57.8	Low	53.7	Low	144 Å²	144	124.8 Å²	124.8	77%	0.77	69%	0.693	S	S	*	*			trans	-89.3	18.1	-175.2	-75.4	-30.1	0	0	0	115.3	N315 P319	N315-D317 PolarHBondContact O-N 3.39Å; D317-P319 VanDerWaalsContact O-CD 3.27Å; D317-P319 WeakPolarHBondContact O-CD 3.46Å
318	D	51.3	Low	52.4	Low	140 Å²	140	128.9 Å²	128.9	75%	0.749	71%	0.714	S	S	*	*			trans	-107.7	101.5	176.8	-159.3	2.4	0	0	0	113	L316	L316-D318 PolarHBondContact O-N 2.98Å
319	P	43.3	Very low	51	Low	107 Å²	107	130.3 Å²	130.3	70%	0.695	73%	0.726	S	S	*	*			trans	-92.8	102.2	179.7	32.4	-27.8	0	0	0	110.2	D317	D317-P319 VanDerWaalsContact O-CD 3.27Å; D317-P319 WeakPolarHBondContact O-CD 3.46Å
320	L	48.7	Very low	50.3	Low	148 Å²	148	133.8 Å²	133.8	78%	0.775	76%	0.755	S	S	*	*			trans	-171.7	130.8	158.3	-103.9	156.2	0	0	0	114.9
321	Q	44.9	Very low	49.3	Very low	164 Å²	164	134.7 Å²	134.7	77%	0.766	76%	0.764	S	S	*	*			trans	87.6	96.8	154.2	-56.8	-173.7	25.2	0	0	117.9
322	K	42.3	Very low	48.5	Very low	191 Å²	191	135 Å²	135	83%	0.83	77%	0.766	S	S	*	*				80.8	109.4	85.2	-96.6	-175.9	177.1	176.5	0	114.2
323	S	36.6	Very low	48.1	Very low	109 Å²	109	133 Å²	133	76%	0.762	77%	0.773	S	S	*	*			trans	64.2	105.6	133.6	64.5	0	0	0	0	119.6
324	S	43.5	Very low	47.5	Very low	119 Å²	119	136.3 Å²	136.3	83%	0.832	78%	0.775	S	S	*	*			trans	-172.9	94.7	135.1	-123.9	0	0	0	0	107.4
325	K	42	Very low	47.3	Very low	205 Å²	205	138.3 Å²	138.3	89%	0.891	79%	0.786	S	S	*	*				51.3	91.4	93	-159.7	162.4	-173.2	165.4	0	112.9
326	G	41.8	Very low	47.2	Very low	76 Å²	76	135.5 Å²	135.5	78%	0.784	78%	0.777	S	S	*	*			trans	-146.5	96.9	165.4	0	0	0	0	0	109
327	N	38.2	Very low	46.8	Very low	134 Å²	134	134.8 Å²	134.8	72%	0.717	77%	0.774	S	S	*	*			trans	-66	137.7	165.4	-87.3	3.7	0	0	0	108.8
328	L	49.3	Very low	46.3	Very low	172 Å²	172	133.4 Å²	133.4	90%	0.901	77%	0.766	S	S	*	*			trans	-143.5	98.6	156.4	-113.2	143.2	0	0	0	106.9
329	D	44.1	Very low	46.2	Very low	142 Å²	142	133 Å²	133	76%	0.759	76%	0.764	S	S	*	*			trans	-63.3	125.3	168.7	-56.1	-72.2	0	0	0	108.5
330	A	57.2	Low	46.6	Very low	100 Å²	100	135 Å²	135	83%	0.826	77%	0.769	S	S	*	*			trans	-123.5	85.6	172.5	0	0	0	0	0	108.7
331	D	52.3	Low	46.5	Very low	159 Å²	159	135.4 Å²	135.4	85%	0.85	77%	0.772	S	S	*	*			trans	29.1	113.3	139.5	-147.8	32.8	0	0	0	118.8
332	D	47.7	Very low	46.7	Very low	157 Å²	157	134.8 Å²	134.8	84%	0.84	77%	0.774	S	S	*	*			trans	-83.9	109	173.3	-160.5	5.2	0	0	0	108
333	G	52.8	Low	47.2	Very low	75 Å²	75	132.6 Å²	132.6	77%	0.773	77%	0.772	S	S	*	*			trans	-100.7	76.2	-176.2	0	0	0	0	0	112.1
334	D	44.7	Very low	47.8	Very low	140 Å²	140	134.8 Å²	134.8	75%	0.749	78%	0.775	S	S	*	*			trans	-63.4	122.2	163.1	177.2	20.3	0	0	0	110.1
335	N	49.1	Very low	48.4	Very low	153 Å²	153	135.6 Å²	135.6	82%	0.818	77%	0.77	S	S	*	*			trans	-149.6	113.5	149	-151.5	29.3	0	0	0	110.6
336	S	47.3	Very low	49	Very low	72 Å²	72	131.3 Å²	131.3	50%	0.503	76%	0.757	S	S	.	*			trans	-62.7	179	172.9	56.2	0	0	0	0	114.1
337	N	47.4	Very low	49.6	Very low	124 Å²	124	131.2 Å²	131.2	66%	0.663	74%	0.741	S	S	*	*			trans	95.6	136.8	165.7	-60.5	29.9	0	0	0	114.3
338	D	47.3	Very low	50.4	Low	114 Å²	114	129.3 Å²	129.3	61%	0.61	73%	0.734	S	S	*	*			cis	-172.5	155.7	-1.3	-102.2	-23.9	0	0	0	104.7
339	D	50.7	Low	50.7	Low	132 Å²	132	128 Å²	128	71%	0.706	72%	0.723	S	S	*	*			trans	69.1	136.6	152.5	-53.7	-19.6	0	0	0	119.5
340	D	51.2	Low	51.3	Low	149 Å²	149	125.3 Å²	125.3	80%	0.797	71%	0.706	S	S	*	*			cis	-155.5	140.6	6.1	-93.2	-46.1	0	0	0	107.8
341	D	46.5	Very low	51.3	Low	156 Å²	156	126 Å²	126	83%	0.834	69%	0.694	S	S	*	*			trans	-66.1	138.8	160.7	-82.1	-53.5	0	0	0	109.9
342	D	49.9	Very low	51.7	Low	151 Å²	151	124.2 Å²	124.2	81%	0.807	68%	0.681	S	S	*	*			trans	147.5	104.9	145.1	-78.9	-31.3	0	0	0	111.1
343	D	51.2	Low	52.4	Low	146 Å²	146	120 Å²	120	78%	0.781	66%	0.659	S	S	*	*			trans	167.9	68	138.8	-86	-30.4	0	0	0	111.3	D345	D343-D345 VanDerWaalsContact C-N 3.35Å; D343-D345 PolarHBondContact O-N 3.45Å
344	D	50.4	Low	52.9	Low	154 Å²	154	119 Å²	119	82%	0.824	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	50.8	-176.6	-145.8	2.5	0	0	0	112.6
345	D	55.3	Low	54.2	Low	136 Å²	136	116.9 Å²	116.9	73%	0.727	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.9	-21.2	171.6	-159.4	32.7	0	0	0	113.5	D343 V348	D343-D345 VanDerWaalsContact C-N 3.35Å; D343-D345 PolarHBondContact O-N 3.45Å; D345-V348 WeakPolarHBondContact O-CG2 3.48Å
346	D	55	Low	55.9	Low	116 Å²	116	110.8 Å²	110.8	62%	0.62	59%	0.589	S	S	*	*	S	Bend	trans	-79.6	-22.5	176.2	-85.8	-30.1	0	0	0	113.4	V348 E349 E350	D346-V348 VanDerWaalsContact C-N 3.27Å; D346-V348 PolarHBondContact O-N 3.15Å; D346-E349 PolarHBondContact O-N 2.97Å; D346-E350 PolarHBondContact O-N 2.95Å
347	T	54.9	Low	57.6	Low	74 Å²	74	107.8 Å²	107.8	45%	0.454	57%	0.566	S	S	.	*	H	α-helix	trans	-62.6	-31.1	-176.8	-43.5	0	0	0	0	112.8	M351	T347-M351 VanDerWaalsContact O-CG 3.31Å; T347-M351 WeakPolarHBondContact O-CG 3.44Å; T347-M351 PolarHBondContact O-N 3.36Å
348	V	54.6	Low	59.6	Low	93 Å²	93	102.1 Å²	102.1	56%	0.564	54%	0.536	S	S	*	.	H	α-helix	trans	-80.1	-32.1	-177.1	-71.4	0	0	0	0	114	D345 D346 M352	D345-V348 WeakPolarHBondContact O-CG2 3.48Å; D346-V348 VanDerWaalsContact C-N 3.27Å; D346-V348 PolarHBondContact O-N 3.15Å; V348-M352 WeakPolarHBondContact O-CG 3.42Å
349	E	56	Low	61.3	Low	144 Å²	144	100.3 Å²	100.3	67%	0.673	53%	0.529	S	S	*	.	H	α-helix	trans	-73.7	-33.2	173.8	-84.8	-152.3	161.6	0	0	111.8	D346 N353	D346-E349 PolarHBondContact O-N 2.97Å; E349-N353 PolarHBondContact O-N 2.91Å
350	E	56.6	Low	62.9	Low	86 Å²	86	94.4 Å²	94.4	40%	0.402	50%	0.499	S	S	.	.	H	α-helix	trans	-69.6	-44.6	178	-66.8	-153.1	148.2	0	0	112.7	R274 D346 M352 N353 D354	R274-E350 IonicContact CZ-OE1 2.66Å; R274-E350 IonicContact CZ-OE2 3.47Å; R274-E350 IonicContact NE-OE2 3.99Å; R274-E350 IonicContact NH1-OE1 2.9Å; R274-E350 IonicContact NH2-OE1 2.79Å; R274-E350 PolarHBondContact NH2-OE1 2.96Å; R274-E350 IonicContact NH2-OE2 3.11Å; R274-E350 PolarHBondContact NH2-OE2 3.47Å; D346-E350 PolarHBondContact O-N 2.95Å; E350-M352 PolarHBondContact O-N 3.32Å; E350-N353 PolarHBondContact O-N 2.94Å; E350-D354 PolarHBondContact O-N 3.24Å
351	M	57.3	Low	64.6	Low	116 Å²	116	88.5 Å²	88.5	57%	0.571	47%	0.469	S	S	*	.	H	α-helix	trans	-59.7	-32.9	175.9	-72.3	-178	77.1	0	0	113.2	T347	T347-M351 VanDerWaalsContact O-CG 3.31Å; T347-M351 WeakPolarHBondContact O-CG 3.44Å; T347-M351 PolarHBondContact O-N 3.36Å
352	M	59.6	Low	66.3	Low	120 Å²	120	86 Å²	86	59%	0.591	46%	0.455	S	S	*	.	H	α-helix	trans	-72.9	-32	176.9	-78.9	-107.9	-84.8	0	0	112.4	V348 E350 L356	V348-M352 WeakPolarHBondContact O-CG 3.42Å; E350-M352 PolarHBondContact O-N 3.32Å; M352-L356 VanDerWaalsContact O-CD1 3.3Å; M352-L356 WeakPolarHBondContact O-CD1 3.49Å; M352-L356 VanDerWaalsContact O-CG 3.22Å; M352-L356 WeakPolarHBondContact O-CG 3.5Å
353	N	63.3	Low	68	Low	68 Å²	68	83.9 Å²	83.9	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-73	-34.6	179.3	-80.3	-24.4	0	0	0	112.8	E349 E350 Q355 L356 Y357	E349-N353 PolarHBondContact O-N 2.91Å; E350-N353 PolarHBondContact O-N 2.94Å; N353-Q355 VanDerWaalsContact C-N 3.3Å; N353-Q355 PolarHBondContact O-N 2.88Å; N353-L356 WeakPolarHBondContact O-CB 3.47Å; N353-L356 PolarHBondContact O-N 3.42Å; N353-Y357 PolarHBondContact O-N 3.49Å
354	D	63.5	Low	69.5	Low	55 Å²	55	79.7 Å²	79.7	29%	0.294	42%	0.416	S	S	.	.	H	α-helix	trans	-64.8	-38	177.2	-67.9	-10.4	0	0	0	111.4	E350 L356 Y357	E350-D354 PolarHBondContact O-N 3.24Å; D354-L356 PolarHBondContact O-N 2.81Å; D354-L356 VanDerWaalsContact O-N 3.13Å; D354-Y357 PolarHBondContact O-N 2.94Å
355	Q	71.4	Confident	71.3	Confident	96 Å²	96	74.1 Å²	74.1	45%	0.449	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.4	174.7	-67.7	169.6	18.4	0	0	113	N353 I368 K371	N353-Q355 VanDerWaalsContact C-N 3.3Å; N353-Q355 PolarHBondContact O-N 2.88Å; Q355-I368 HydrophobicContact CB-CD1 4.39Å; Q355-I368 HydrophobicContact CB-CG1 4.37Å; Q355-K371 WeakPolarHBondContact O-CD 3.3Å; Q355-K371 PolarHBondContact O-NZ 3.18Å
356	L	83.7	Confident	72.7	Confident	24 Å²	24	72.7 Å²	72.7	13%	0.126	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-4.8	-176.3	-68.2	169.7	0	0	0	114.2	M352 N353 D354 F365 S367 I368	M352-L356 VanDerWaalsContact O-CD1 3.3Å; M352-L356 WeakPolarHBondContact O-CD1 3.49Å; M352-L356 VanDerWaalsContact O-CG 3.22Å; M352-L356 WeakPolarHBondContact O-CG 3.5Å; N353-L356 WeakPolarHBondContact O-CB 3.47Å; N353-L356 PolarHBondContact O-N 3.42Å; D354-L356 PolarHBondContact O-N 2.81Å; D354-L356 VanDerWaalsContact O-N 3.13Å; L356-F365 WeakPolarHBondContact CB-O 3.29Å; L356-F365 WeakPolarHBondContact CD2-O 3.43Å; L356-F365 WeakPolarHBondContact O-CD2 3.29Å; L356-F365 PolarHBondContact O-N 2.94Å; L356-S367 VanDerWaalsContact CD2-CA 3.41Å; L356-I368 HydrophobicContact CD2-CG1 4Å
357	Y	84.9	Confident	74.1	Confident	10 Å²	10	70.1 Å²	70.1	4%	0.039	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.8	178.4	-176.4	-116.5	0	0	0	112.9	A268 A271 R272 N353 D354 V359 D362 L364 K371	A268-Y357 HydrophobicContact CB-CE2 4.45Å; A271-Y357 HydrophobicContact CB-CD1 4.26Å; A271-Y357 HydrophobicContact CB-CG 4.19Å; R272-Y357 HydrophobicContact CG-CE1 4.27Å; R272-Y357 WeakPolarHBondContact CG-OH 3.39Å; N353-Y357 PolarHBondContact O-N 3.49Å; D354-Y357 PolarHBondContact O-N 2.94Å; Y357-V359 HydrophobicContact CD1-CG2 4.42Å; Y357-V359 HydrophobicContact CE1-CG2 4.41Å; Y357-D362 PolarHBondContact OH-OD1 3.5Å; Y357-L364 HydrophobicContact CD2-CD2 3.71Å; Y357-L364 HydrophobicContact CD2-CG 3.96Å; Y357-L364 HydrophobicContact CG-CD2 4.19Å; Y357-K371 WeakPolarHBondContact O-CE 3.31Å; Y357-K371 PolarHBondContact O-NZ 3.38Å
358	C	87.8	Confident	75.7	Confident	4 Å²	4	70 Å²	70	3%	0.027	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	104.8	172.8	173.1	0	0	0	0	110.4	A360 C361 D362 K363 F365 H380	C358-A360 VanDerWaalsContact C-N 3.32Å; C358-A360 PolarHBondContact O-N 3.41Å; C358-C361 PolarHBondContact O-N 3.48Å; C358-D362 PolarHBondContact O-N 2.99Å; C358-K363 PolarHBondContact N-O 3.35Å; C358-K363 PolarHBondContact O-N 3.17Å; C358-F365 HydrophobicContact CB-CD2 4.48Å; C358-F365 HydrophobicContact CB-CE2 3.71Å; C358-H380 PolarHBondContact SG-CE1 3.38Å; C358-H380 PolarHBondContact SG-ND1 2.83Å
359	V	83.1	Confident	77.3	Confident	76 Å²	76	72.7 Å²	72.7	46%	0.461	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-49.8	-48.2	176.7	-163.2	0	0	0	0	112.4	E275 Y357 C361 D362	E275-V359 WeakPolarHBondContact OE1-CG1 3.5Å; E275-V359 WeakPolarHBondContact OE1-CG2 3.49Å; E275-V359 VanDerWaalsContact OE2-CG2 3.28Å; E275-V359 WeakPolarHBondContact OE2-CG2 3.44Å; Y357-V359 HydrophobicContact CD1-CG2 4.42Å; Y357-V359 HydrophobicContact CE1-CG2 4.41Å; V359-C361 PolarHBondContact O-N 2.99Å; V359-C361 VanDerWaalsContact O-N 3.08Å; V359-D362 PolarHBondContact O-N 3.34Å
360	A	84.6	Confident	78.9	Confident	8 Å²	8	67.8 Å²	67.8	7%	0.066	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-61.6	-29.4	-172.9	0	0	0	0	0	114.3	C358 Q383 M384 L387	C358-A360 VanDerWaalsContact C-N 3.32Å; C358-A360 PolarHBondContact O-N 3.41Å; A360-Q383 WeakPolarHBondContact O-CG 3.29Å; A360-M384 HydrophobicContact CB-CG 3.94Å; A360-M384 HydrophobicContact CB-SD 3.21Å; A360-M384 WeakPolarHBondContact CB-SD 3.45Å; A360-L387 HydrophobicContact CB-CD1 3.91Å
361	C	86.8	Confident	80.5	Confident	26 Å²	26	65.4 Å²	65.4	18%	0.176	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-121.2	0.5	-169.8	-72.2	0	0	0	0	113.1	C358 V359 K363 H374	C358-C361 PolarHBondContact O-N 3.48Å; V359-C361 PolarHBondContact O-N 2.99Å; V359-C361 VanDerWaalsContact O-N 3.08Å; C361-K363 HydrophobicContact CB-CD 4.33Å; C361-K363 HydrophobicContact CB-CG 4.02Å; C361-K363 VanDerWaalsContact O-CG 3.23Å; C361-K363 WeakPolarHBondContact O-CG 3.27Å; C361-H374 VanDerWaalsContact CB-NE2 3.29Å; C361-H374 WeakPolarHBondContact CB-NE2 3.34Å; C361-H374 VanDerWaalsContact SG-CE1 3.57Å; C361-H374 PolarHBondContact SG-NE2 2.66Å
362	D	82.7	Confident	82	Confident	102 Å²	102	64.8 Å²	64.8	55%	0.545	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	56.7	-171.6	-61.7	-40	0	0	0	112.8	Y357 C358 V359	Y357-D362 PolarHBondContact OH-OD1 3.5Å; C358-D362 PolarHBondContact O-N 2.99Å; V359-D362 PolarHBondContact O-N 3.34Å
363	K	84.3	Confident	83.5	Confident	107 Å²	107	64.4 Å²	64.4	47%	0.465	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.7	-178.2	-54.6	-164	-176.9	-153.9	0	113.3	C358 C361 F365	C358-K363 PolarHBondContact N-O 3.35Å; C358-K363 PolarHBondContact O-N 3.17Å; C361-K363 HydrophobicContact CB-CD 4.33Å; C361-K363 HydrophobicContact CB-CG 4.02Å; C361-K363 VanDerWaalsContact O-CG 3.23Å; C361-K363 WeakPolarHBondContact O-CG 3.27Å; K363-F365 HydrophobicContact CB-CE2 3.71Å; K363-F365 HydrophobicContact CB-CZ 3.66Å; K363-F365 HydrophobicContact CD-CZ 4.32Å; K363-F365 WeakPolarHBondContact O-CE2 3.4Å
364	L	84.6	Confident	84.8	Confident	59 Å²	59	62.5 Å²	62.5	31%	0.309	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	138	165.6	-69.6	165.6	0	0	0	110.3	L267 A268 Y357	L267-L364 HydrophobicContact CB-CD1 3.91Å; A268-L364 HydrophobicContact CB-CD1 4.26Å; Y357-L364 HydrophobicContact CD2-CD2 3.71Å; Y357-L364 HydrophobicContact CD2-CG 3.96Å; Y357-L364 HydrophobicContact CG-CD2 4.19Å
365	F	87.8	Confident	86.1	Confident	36 Å²	36	62.9 Å²	62.9	16%	0.158	34%	0.343	C	S	.	.			trans	-112.7	148.4	178.3	-66.2	-81.2	0	0	0	110.7	L356 C358 K363 S367 A370 K371 H374	L356-F365 WeakPolarHBondContact CB-O 3.29Å; L356-F365 WeakPolarHBondContact CD2-O 3.43Å; L356-F365 WeakPolarHBondContact O-CD2 3.29Å; L356-F365 PolarHBondContact O-N 2.94Å; C358-F365 HydrophobicContact CB-CD2 4.48Å; C358-F365 HydrophobicContact CB-CE2 3.71Å; K363-F365 HydrophobicContact CB-CE2 3.71Å; K363-F365 HydrophobicContact CB-CZ 3.66Å; K363-F365 HydrophobicContact CD-CZ 4.32Å; K363-F365 WeakPolarHBondContact O-CE2 3.4Å; F365-S367 PolarHBondContact O-N 2.92Å; F365-A370 HydrophobicContact CB-CB 4.19Å; F365-A370 HydrophobicContact CD1-CB 4Å; F365-A370 HydrophobicContact CG-CB 4.47Å; F365-K371 HydrophobicContact CB-CB 3.95Å; F365-K371 HydrophobicContact CD2-CB 3.53Å; F365-K371 HydrophobicContact CD2-CG 3.76Å; F365-K371 HydrophobicContact CE2-CB 4.29Å; F365-K371 HydrophobicContact CE2-CG 4.21Å; F365-K371 HydrophobicContact CG-CB 3.75Å; F365-K371 HydrophobicContact CG-CG 4.48Å; F365-H374 HydrophobicContact CD1-CB 4.33Å; F365-H374 HydrophobicContact CE1-CB 3.4Å; F365-H374 AromaticContact CE1-CG 3.69Å; F365-H374 HydrophobicContact CE2-CB 4.08Å; F365-H374 AromaticContact CE2-CD2 3.65Å; F365-H374 AromaticContact CE2-CG 3.88Å; F365-H374 HydrophobicContact CZ-CB 3.28Å; F365-H374 AromaticContact CZ-CD2 3.3Å; F365-H374 WeakPolarHBondContact CZ-CD2 3.26Å; F365-H374 AromaticContact CZ-CG 3.08Å; F365-H374 AromaticContact CZ-ND1 3.6Å; F365-H374 AromaticContact CZ-NE2 3.91Å
366	A	83.9	Confident	87	Confident	107 Å²	107	61.5 Å²	61.5	88%	0.884	35%	0.345	S	S	*	.	S	Bend	trans	-79	-7.3	177.8	0	0	0	0	0	113.7
367	S	85.6	Confident	87.4	Confident	61 Å²	61	62.6 Å²	62.6	43%	0.427	35%	0.354	S	S	.	.	S	Bend	trans	-160.9	146	180	174.7	0	0	0	0	109.5	L356 F365 K369 A370 K371	L356-S367 VanDerWaalsContact CD2-CA 3.41Å; F365-S367 PolarHBondContact O-N 2.92Å; S367-K369 PolarHBondContact O-N 3.42Å; S367-K369 VanDerWaalsContact O-N 3.14Å; S367-K369 PolarHBondContact OG-N 3.01Å; S367-A370 WeakPolarHBondContact O-CA 3.45Å; S367-A370 WeakPolarHBondContact O-CB 3.44Å; S367-A370 PolarHBondContact O-N 3.22Å; S367-K371 PolarHBondContact O-N 3.11Å
368	I	86.9	Confident	87.6	Confident	73 Å²	73	69.7 Å²	69.7	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-53.7	-37.4	177.5	-62.2	171.2	0	0	0	110.4	Q355 L356 A370 K371 L372	Q355-I368 HydrophobicContact CB-CD1 4.39Å; Q355-I368 HydrophobicContact CB-CG1 4.37Å; L356-I368 HydrophobicContact CD2-CG1 4Å; I368-A370 VanDerWaalsContact C-N 3.29Å; I368-A370 PolarHBondContact O-N 3.38Å; I368-K371 WeakPolarHBondContact O-CB 3.07Å; I368-K371 PolarHBondContact O-N 3.12Å; I368-K371 VanDerWaalsContact O-N 3.16Å; I368-L372 HydrophobicContact CG2-CD1 4.14Å; I368-L372 HydrophobicContact CG2-CG 4.38Å; I368-L372 WeakPolarHBondContact O-CG 3.21Å; I368-L372 PolarHBondContact O-N 3.11Å
369	K	88.4	Confident	87.7	Confident	148 Å²	148	78 Å²	78	64%	0.643	42%	0.421	S	S	*	.	H	α-helix	trans	-63.9	-33.2	177.5	-169.4	172.3	-176.1	173.7	0	113.1	S367 N373	S367-K369 PolarHBondContact O-N 3.42Å; S367-K369 VanDerWaalsContact O-N 3.14Å; S367-K369 PolarHBondContact OG-N 3.01Å; K369-N373 WeakPolarHBondContact O-CB 3.4Å; K369-N373 PolarHBondContact O-N 3.26Å
370	A	89.8	Confident	88.2	Confident	42 Å²	42	75.3 Å²	75.3	35%	0.347	40%	0.403	S	S	.	.	H	α-helix	trans	-72.3	-37.8	175.8	0	0	0	0	0	111.1	F365 S367 I368 H374	F365-A370 HydrophobicContact CB-CB 4.19Å; F365-A370 HydrophobicContact CD1-CB 4Å; F365-A370 HydrophobicContact CG-CB 4.47Å; S367-A370 WeakPolarHBondContact O-CA 3.45Å; S367-A370 WeakPolarHBondContact O-CB 3.44Å; S367-A370 PolarHBondContact O-N 3.22Å; I368-A370 VanDerWaalsContact C-N 3.29Å; I368-A370 PolarHBondContact O-N 3.38Å; A370-H374 WeakPolarHBondContact O-CB 3.48Å; A370-H374 PolarHBondContact O-N 2.95Å
371	K	90.5	Very high	88.4	Confident	36 Å²	36	81 Å²	81	16%	0.157	42%	0.423	C	S	.	.	H	α-helix	trans	-62.4	-51.8	172.9	-177.8	-177.9	166.5	174.9	0	111.9	Q355 Y357 F365 S367 I368 N373 H374 E375	Q355-K371 WeakPolarHBondContact O-CD 3.3Å; Q355-K371 PolarHBondContact O-NZ 3.18Å; Y357-K371 WeakPolarHBondContact O-CE 3.31Å; Y357-K371 PolarHBondContact O-NZ 3.38Å; F365-K371 HydrophobicContact CB-CB 3.95Å; F365-K371 HydrophobicContact CD2-CB 3.53Å; F365-K371 HydrophobicContact CD2-CG 3.76Å; F365-K371 HydrophobicContact CE2-CB 4.29Å; F365-K371 HydrophobicContact CE2-CG 4.21Å; F365-K371 HydrophobicContact CG-CB 3.75Å; F365-K371 HydrophobicContact CG-CG 4.48Å; S367-K371 PolarHBondContact O-N 3.11Å; I368-K371 WeakPolarHBondContact O-CB 3.07Å; I368-K371 PolarHBondContact O-N 3.12Å; I368-K371 VanDerWaalsContact O-N 3.16Å; K371-N373 VanDerWaalsContact C-N 3.28Å; K371-N373 PolarHBondContact O-N 3.04Å; K371-H374 CarbonylContact O-C 3.54Å; K371-H374 WeakPolarHBondContact O-CA 3.36Å; K371-H374 VanDerWaalsContact O-CB 3.28Å; K371-H374 WeakPolarHBondContact O-CB 3.38Å; K371-H374 PolarHBondContact O-N 3.46Å; K371-E375 WeakPolarHBondContact CE-OE1 3.27Å; K371-E375 HydrophobicContact CG-CG 4.43Å; K371-E375 WeakPolarHBondContact CG-OE1 3.17Å; K371-E375 WeakPolarHBondContact O-CG 3.25Å; K371-E375 PolarHBondContact O-N 3.33Å
372	L	89.7	Confident	88.6	Confident	103 Å²	103	86.8 Å²	86.8	54%	0.539	45%	0.445	S	S	.	.	H	α-helix	trans	-58.5	-38.9	178.2	-70.1	172.5	0	0	0	112.6	I368 E375 S376	I368-L372 HydrophobicContact CG2-CD1 4.14Å; I368-L372 HydrophobicContact CG2-CG 4.38Å; I368-L372 WeakPolarHBondContact O-CG 3.21Å; I368-L372 PolarHBondContact O-N 3.11Å; L372-E375 PolarHBondContact O-N 3.37Å; L372-S376 WeakPolarHBondContact O-CB 3.16Å; L372-S376 PolarHBondContact O-N 3.26Å
373	N	89.6	Confident	88.9	Confident	112 Å²	112	85.8 Å²	85.8	60%	0.599	44%	0.437	S	S	*	.	H	α-helix	trans	-66.6	-40.5	174.5	-171.9	12.4	0	0	0	111.5	K369 K371 S376 S377	K369-N373 WeakPolarHBondContact O-CB 3.4Å; K369-N373 PolarHBondContact O-N 3.26Å; K371-N373 VanDerWaalsContact C-N 3.28Å; K371-N373 PolarHBondContact O-N 3.04Å; N373-S376 CarbonylContact O-C 3.57Å; N373-S376 PolarHBondContact O-N 3.48Å; N373-S376 PolarHBondContact O-OG 3.37Å; N373-S377 PolarHBondContact O-N 3.49Å
374	H	91.3	Very high	89.1	Confident	28 Å²	28	85 Å²	85	13%	0.13	44%	0.436	C	S	.	.	H	α-helix	trans	-61.2	-44.4	173.6	167.4	80.9	0	0	0	112.5	C361 F365 A370 K371 S376 S377 H380	C361-H374 VanDerWaalsContact CB-NE2 3.29Å; C361-H374 WeakPolarHBondContact CB-NE2 3.34Å; C361-H374 VanDerWaalsContact SG-CE1 3.57Å; C361-H374 PolarHBondContact SG-NE2 2.66Å; F365-H374 HydrophobicContact CD1-CB 4.33Å; F365-H374 HydrophobicContact CE1-CB 3.4Å; F365-H374 AromaticContact CE1-CG 3.69Å; F365-H374 HydrophobicContact CE2-CB 4.08Å; F365-H374 AromaticContact CE2-CD2 3.65Å; F365-H374 AromaticContact CE2-CG 3.88Å; F365-H374 HydrophobicContact CZ-CB 3.28Å; F365-H374 AromaticContact CZ-CD2 3.3Å; F365-H374 WeakPolarHBondContact CZ-CD2 3.26Å; F365-H374 AromaticContact CZ-CG 3.08Å; F365-H374 AromaticContact CZ-ND1 3.6Å; F365-H374 AromaticContact CZ-NE2 3.91Å; A370-H374 WeakPolarHBondContact O-CB 3.48Å; A370-H374 PolarHBondContact O-N 2.95Å; K371-H374 CarbonylContact O-C 3.54Å; K371-H374 WeakPolarHBondContact O-CA 3.36Å; K371-H374 VanDerWaalsContact O-CB 3.28Å; K371-H374 WeakPolarHBondContact O-CB 3.38Å; K371-H374 PolarHBondContact O-N 3.46Å; H374-S376 VanDerWaalsContact C-N 3.26Å; H374-S376 PolarHBondContact O-N 3.14Å; H374-S377 WeakPolarHBondContact O-CA 3.31Å; H374-S377 WeakPolarHBondContact O-CB 3.39Å; H374-S377 PolarHBondContact O-N 3.02Å; H374-H380 AromaticContact CD2-ND1 3.75Å; H374-H380 AromaticContact NE2-ND1 3.45Å; H374-H380 PolarHBondContact NE2-ND1 3.45Å; H374-H380 WeakPolarHBondContact O-CB 3.34Å
375	E	91.3	Very high	89.3	Confident	62 Å²	62	86.8 Å²	86.8	29%	0.29	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-36.1	176.8	-70.1	169.9	175.2	0	0	111.4	K371 L372 S377 H380	K371-E375 WeakPolarHBondContact CE-OE1 3.27Å; K371-E375 HydrophobicContact CG-CG 4.43Å; K371-E375 WeakPolarHBondContact CG-OE1 3.17Å; K371-E375 WeakPolarHBondContact O-CG 3.25Å; K371-E375 PolarHBondContact O-N 3.33Å; L372-E375 PolarHBondContact O-N 3.37Å; E375-S377 PolarHBondContact O-N 3.31Å; E375-H380 VanDerWaalsContact CA-CD2 3.49Å; E375-H380 WeakPolarHBondContact CA-CD2 3.31Å; E375-H380 PolarHBondContact O-CD2 2.61Å
376	S	89.8	Confident	89.4	Confident	68 Å²	68	91.5 Å²	91.5	48%	0.476	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-0.9	171.6	84.9	0	0	0	0	114.5	L372 N373 H374 R381	L372-S376 WeakPolarHBondContact O-CB 3.16Å; L372-S376 PolarHBondContact O-N 3.26Å; N373-S376 CarbonylContact O-C 3.57Å; N373-S376 PolarHBondContact O-N 3.48Å; N373-S376 PolarHBondContact O-OG 3.37Å; H374-S376 VanDerWaalsContact C-N 3.26Å; H374-S376 PolarHBondContact O-N 3.14Å; S376-R381 PolarHBondContact O-NH1 2.99Å
377	S	91.5	Very high	89.5	Confident	46 Å²	46	89.1 Å²	89.1	32%	0.322	43%	0.433	S	S	.	.	S	Bend	trans	-77.9	145.8	179.6	-172.8	0	0	0	0	112.4	N373 H374 E375 K379 H380 R381	N373-S377 PolarHBondContact O-N 3.49Å; H374-S377 WeakPolarHBondContact O-CA 3.31Å; H374-S377 WeakPolarHBondContact O-CB 3.39Å; H374-S377 PolarHBondContact O-N 3.02Å; E375-S377 PolarHBondContact O-N 3.31Å; S377-K379 PolarHBondContact O-N 3.44Å; S377-K379 PolarHBondContact OG-N 3.19Å; S377-H380 PolarHBondContact O-N 3.23Å; S377-R381 PolarHBondContact O-N 3.47Å; S377-R381 VanDerWaalsContact O-N 3.09Å
378	K	90.6	Very high	89.6	Confident	159 Å²	159	92.9 Å²	92.9	69%	0.691	44%	0.444	S	S	*	.	H	α-helix	trans	-57.9	-29.7	172.9	-71.7	-178.7	-179.7	-179.8	0	112.6	K382	K378-K382 WeakPolarHBondContact O-CG 3.41Å; K378-K382 PolarHBondContact O-N 2.73Å
379	K	89.8	Confident	89.7	Confident	178 Å²	178	94.4 Å²	94.4	77%	0.774	45%	0.448	S	S	*	.	H	α-helix	trans	-70.6	-48.8	178.7	-70.7	-171.8	177.5	-174.8	0	111	S377 K382 Q383	S377-K379 PolarHBondContact O-N 3.44Å; S377-K379 PolarHBondContact OG-N 3.19Å; K379-K382 PolarHBondContact O-N 2.79Å; K379-Q383 PolarHBondContact O-N 2.64Å; K379-Q383 VanDerWaalsContact O-N 3.07Å
380	H	92	Very high	89.6	Confident	20 Å²	20	90.4 Å²	90.4	9%	0.093	43%	0.433	C	S	.	.	H	α-helix	trans	-59.7	-47.8	177.2	175.4	93	0	0	0	111.4	C358 H374 E375 S377 K382 Q383 M384	C358-H380 PolarHBondContact SG-CE1 3.38Å; C358-H380 PolarHBondContact SG-ND1 2.83Å; H374-H380 AromaticContact CD2-ND1 3.75Å; H374-H380 AromaticContact NE2-ND1 3.45Å; H374-H380 PolarHBondContact NE2-ND1 3.45Å; H374-H380 WeakPolarHBondContact O-CB 3.34Å; E375-H380 VanDerWaalsContact CA-CD2 3.49Å; E375-H380 WeakPolarHBondContact CA-CD2 3.31Å; E375-H380 PolarHBondContact O-CD2 2.61Å; S377-H380 PolarHBondContact O-N 3.23Å; H380-K382 VanDerWaalsContact C-N 3.29Å; H380-K382 PolarHBondContact O-N 2.9Å; H380-Q383 WeakPolarHBondContact O-CA 3.21Å; H380-Q383 WeakPolarHBondContact O-CB 3.46Å; H380-Q383 PolarHBondContact O-N 3.46Å; H380-M384 VanDerWaalsContact NE2-CG 3.34Å; H380-M384 WeakPolarHBondContact NE2-CG 3.45Å; H380-M384 WeakPolarHBondContact O-CG 3.37Å; H380-M384 PolarHBondContact O-N 3.39Å
381	R	90.2	Very high	89.4	Confident	127 Å²	127	92.7 Å²	92.7	48%	0.479	44%	0.438	S	S	.	.	H	α-helix	trans	-57.2	-38.4	177	-73.9	-163.8	-62.5	-79.3	4.5	114.2	S376 S377 E385	S376-R381 PolarHBondContact O-NH1 2.99Å; S377-R381 PolarHBondContact O-N 3.47Å; S377-R381 VanDerWaalsContact O-N 3.09Å; R381-E385 WeakPolarHBondContact O-CB 3.37Å; R381-E385 PolarHBondContact O-N 3.15Å
382	K	90.6	Very high	89	Confident	149 Å²	149	96.5 Å²	96.5	65%	0.648	46%	0.456	S	S	*	.	H	α-helix	trans	-68.2	-38	175.8	-78.2	-177.3	175.9	-167.5	0	112.2	K378 K379 H380 E385 Y386	K378-K382 WeakPolarHBondContact O-CG 3.41Å; K378-K382 PolarHBondContact O-N 2.73Å; K379-K382 PolarHBondContact O-N 2.79Å; H380-K382 VanDerWaalsContact C-N 3.29Å; H380-K382 PolarHBondContact O-N 2.9Å; K382-E385 PolarHBondContact O-N 3.47Å; K382-Y386 PolarHBondContact O-N 3.32Å
383	Q	88.4	Confident	88.5	Confident	81 Å²	81	96.9 Å²	96.9	38%	0.379	46%	0.455	S	S	.	.	H	α-helix	trans	-67.5	-41.6	177.1	-167.4	64.5	19.4	0	0	110.7	A360 K379 H380 Y386 L387	A360-Q383 WeakPolarHBondContact O-CG 3.29Å; K379-Q383 PolarHBondContact O-N 2.64Å; K379-Q383 VanDerWaalsContact O-N 3.07Å; H380-Q383 WeakPolarHBondContact O-CA 3.21Å; H380-Q383 WeakPolarHBondContact O-CB 3.46Å; H380-Q383 PolarHBondContact O-N 3.46Å; Q383-Y386 WeakPolarHBondContact O-CB 3.4Å; Q383-Y386 PolarHBondContact O-N 3.5Å; Q383-L387 WeakPolarHBondContact O-CG 3.4Å; Q383-L387 PolarHBondContact O-N 3.11Å
384	M	89.2	Confident	88	Confident	89 Å²	89	96.3 Å²	96.3	44%	0.438	45%	0.449	S	S	.	.	H	α-helix	trans	-59.7	-45.3	171.1	-73.1	-62.2	-71.4	0	0	112.5	A360 H380 Y386 L387 Q388	A360-M384 HydrophobicContact CB-CG 3.94Å; A360-M384 HydrophobicContact CB-SD 3.21Å; A360-M384 WeakPolarHBondContact CB-SD 3.45Å; H380-M384 VanDerWaalsContact NE2-CG 3.34Å; H380-M384 WeakPolarHBondContact NE2-CG 3.45Å; H380-M384 WeakPolarHBondContact O-CG 3.37Å; H380-M384 PolarHBondContact O-N 3.39Å; M384-Y386 PolarHBondContact O-N 2.95Å; M384-L387 PolarHBondContact O-N 2.74Å; M384-Q388 WeakPolarHBondContact O-CB 3.3Å; M384-Q388 PolarHBondContact O-N 2.78Å
385	E	89	Confident	87.5	Confident	97 Å²	97	99 Å²	99	45%	0.453	47%	0.465	S	S	.	.	H	α-helix	trans	-63.2	-31.8	176.6	-167.3	-168.1	158.7	0	0	112.1	R381 K382 K389	R381-E385 WeakPolarHBondContact O-CB 3.37Å; R381-E385 PolarHBondContact O-N 3.15Å; K382-E385 PolarHBondContact O-N 3.47Å; E385-K389 WeakPolarHBondContact O-CD 3.38Å; E385-K389 VanDerWaalsContact O-CG 3.29Å; E385-K389 WeakPolarHBondContact O-CG 3.37Å; E385-K389 PolarHBondContact O-N 2.85Å; E385-K389 IonicContact OE1-NZ 2.78Å; E385-K389 PolarHBondContact OE1-NZ 3.43Å
386	Y	89	Confident	86.9	Confident	136 Å²	136	99.6 Å²	99.6	53%	0.533	47%	0.47	S	S	.	.	H	α-helix	trans	-70.9	-48.4	174.3	176.4	-101.6	0	0	0	111.6	K382 Q383 M384 Q388 K389 L390	K382-Y386 PolarHBondContact O-N 3.32Å; Q383-Y386 WeakPolarHBondContact O-CB 3.4Å; Q383-Y386 PolarHBondContact O-N 3.5Å; M384-Y386 PolarHBondContact O-N 2.95Å; Y386-Q388 VanDerWaalsContact C-N 3.35Å; Y386-Q388 PolarHBondContact O-N 3.32Å; Y386-K389 PolarHBondContact O-N 3.46Å; Y386-K389 VanDerWaalsContact O-N 3.16Å; Y386-L390 PolarHBondContact O-N 3.44Å
387	L	86.6	Confident	86.3	Confident	56 Å²	56	101.9 Å²	101.9	29%	0.293	48%	0.475	S	S	.	.	H	α-helix	trans	-58.7	-45.6	176.2	-73.5	166.1	0	0	0	111.5	A360 Q383 M384 K389 L390 I391	A360-L387 HydrophobicContact CB-CD1 3.91Å; Q383-L387 WeakPolarHBondContact O-CG 3.4Å; Q383-L387 PolarHBondContact O-N 3.11Å; M384-L387 PolarHBondContact O-N 2.74Å; L387-K389 VanDerWaalsContact C-N 3.28Å; L387-K389 PolarHBondContact O-N 3.04Å; L387-L390 WeakPolarHBondContact O-CB 3.33Å; L387-L390 PolarHBondContact O-N 2.99Å; L387-I391 WeakPolarHBondContact O-CG1 3.5Å; L387-I391 PolarHBondContact O-N 2.87Å
388	Q	88.5	Confident	85.5	Confident	141 Å²	141	105.2 Å²	105.2	66%	0.659	49%	0.489	S	S	*	.	H	α-helix	trans	-59.3	-37.8	176.7	-172.5	178.7	19.9	0	0	112.6	M384 Y386 H392	M384-Q388 WeakPolarHBondContact O-CB 3.3Å; M384-Q388 PolarHBondContact O-N 2.78Å; Y386-Q388 VanDerWaalsContact C-N 3.35Å; Y386-Q388 PolarHBondContact O-N 3.32Å; Q388-H392 VanDerWaalsContact O-CB 3.31Å; Q388-H392 WeakPolarHBondContact O-CB 3.19Å; Q388-H392 PolarHBondContact O-N 2.87Å
389	K	87.5	Confident	84.7	Confident	105 Å²	105	102.4 Å²	102.4	46%	0.457	48%	0.478	S	S	.	.	H	α-helix	trans	-70.7	-32.8	176	-76.8	171.2	-171.9	163.6	0	112.7	E385 Y386 L387 Q393	E385-K389 WeakPolarHBondContact O-CD 3.38Å; E385-K389 VanDerWaalsContact O-CG 3.29Å; E385-K389 WeakPolarHBondContact O-CG 3.37Å; E385-K389 PolarHBondContact O-N 2.85Å; E385-K389 IonicContact OE1-NZ 2.78Å; E385-K389 PolarHBondContact OE1-NZ 3.43Å; Y386-K389 PolarHBondContact O-N 3.46Å; Y386-K389 VanDerWaalsContact O-N 3.16Å; L387-K389 VanDerWaalsContact C-N 3.28Å; L387-K389 PolarHBondContact O-N 3.04Å; K389-Q393 WeakPolarHBondContact O-CB 3.29Å; K389-Q393 WeakPolarHBondContact O-CG 3.09Å; K389-Q393 PolarHBondContact O-N 3.11Å; K389-Q393 VanDerWaalsContact O-N 3.08Å
390	L	85.9	Confident	83.9	Confident	63 Å²	63	99.1 Å²	99.1	33%	0.33	47%	0.469	S	S	.	.	H	α-helix	trans	-67.2	-51.6	176.5	-163.9	83.7	0	0	0	109.8	Y386 L387 H392 Q393 E394	Y386-L390 PolarHBondContact O-N 3.44Å; L387-L390 WeakPolarHBondContact O-CB 3.33Å; L387-L390 PolarHBondContact O-N 2.99Å; L390-H392 VanDerWaalsContact C-N 3.33Å; L390-H392 PolarHBondContact O-N 3.38Å; L390-Q393 WeakPolarHBondContact O-CA 3.37Å; L390-Q393 WeakPolarHBondContact O-CB 3.14Å; L390-Q393 PolarHBondContact O-N 2.97Å; L390-E394 PolarHBondContact O-N 3.26Å
391	I	85.7	Confident	83	Confident	91 Å²	91	104 Å²	104	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-55.9	-49.2	177.2	-64.3	166	0	0	0	110.2	L387 Q393 E394 D395	L387-I391 WeakPolarHBondContact O-CG1 3.5Å; L387-I391 PolarHBondContact O-N 2.87Å; I391-Q393 VanDerWaalsContact C-N 3.25Å; I391-Q393 PolarHBondContact O-N 3.14Å; I391-E394 WeakPolarHBondContact O-CB 3.26Å; I391-E394 PolarHBondContact O-N 3.16Å; I391-E394 VanDerWaalsContact O-N 3.12Å; I391-D395 PolarHBondContact O-N 3.08Å
392	H	82.2	Confident	82.1	Confident	116 Å²	116	102.7 Å²	102.7	54%	0.537	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-29.1	177.8	-173	-80.9	0	0	0	113.1	Q388 L390 N396	Q388-H392 VanDerWaalsContact O-CB 3.31Å; Q388-H392 WeakPolarHBondContact O-CB 3.19Å; Q388-H392 PolarHBondContact O-N 2.87Å; L390-H392 VanDerWaalsContact C-N 3.33Å; L390-H392 PolarHBondContact O-N 3.38Å; H392-N396 PolarHBondContact CE1-ND2 3.13Å; H392-N396 PolarHBondContact ND1-ND2 3.38Å; H392-N396 PolarHBondContact O-N 3.21Å; H392-N396 PolarHBondContact O-ND2 2.99Å
393	Q	79.7	Confident	81.2	Confident	111 Å²	111	98.2 Å²	98.2	52%	0.519	47%	0.473	S	S	.	.	H	α-helix	trans	-71.6	-41.8	174.4	-78.8	168.3	14.1	0	0	111.3	K389 L390 I391 N396 I397	K389-Q393 WeakPolarHBondContact O-CB 3.29Å; K389-Q393 WeakPolarHBondContact O-CG 3.09Å; K389-Q393 PolarHBondContact O-N 3.11Å; K389-Q393 VanDerWaalsContact O-N 3.08Å; L390-Q393 WeakPolarHBondContact O-CA 3.37Å; L390-Q393 WeakPolarHBondContact O-CB 3.14Å; L390-Q393 PolarHBondContact O-N 2.97Å; I391-Q393 VanDerWaalsContact C-N 3.25Å; I391-Q393 PolarHBondContact O-N 3.14Å; Q393-N396 PolarHBondContact O-N 3Å; Q393-I397 VanDerWaalsContact O-CG1 3.31Å; Q393-I397 WeakPolarHBondContact O-CG1 3.36Å; Q393-I397 PolarHBondContact O-N 3.3Å; Q393-I397 VanDerWaalsContact O-N 3.11Å
394	E	78.7	Confident	80.2	Confident	99 Å²	99	98.1 Å²	98.1	46%	0.463	48%	0.481	S	S	.	.	H	α-helix	trans	-62.1	-44.8	175.1	-68.9	168.3	168.6	0	0	110.8	L390 I391 N396 I397 L398	L390-E394 PolarHBondContact O-N 3.26Å; I391-E394 WeakPolarHBondContact O-CB 3.26Å; I391-E394 PolarHBondContact O-N 3.16Å; I391-E394 VanDerWaalsContact O-N 3.12Å; E394-N396 VanDerWaalsContact C-N 3.34Å; E394-N396 PolarHBondContact O-N 2.84Å; E394-I397 PolarHBondContact O-N 3.15Å; E394-I397 VanDerWaalsContact O-N 3.14Å; E394-L398 WeakPolarHBondContact O-CG 3.3Å; E394-L398 PolarHBondContact O-N 3.1Å
395	D	81.2	Confident	78.9	Confident	86 Å²	86	99.6 Å²	99.6	46%	0.46	49%	0.49	S	S	.	.	H	α-helix	trans	-59.2	-41.6	175.8	-68.8	-21.2	0	0	0	112.4	I391 L398 Q399	I391-D395 PolarHBondContact O-N 3.08Å; D395-L398 PolarHBondContact O-N 2.92Å; D395-Q399 WeakPolarHBondContact O-CB 3.48Å; D395-Q399 PolarHBondContact O-N 3.13Å
396	N	78.3	Confident	77.5	Confident	74 Å²	74	99.9 Å²	99.9	40%	0.396	49%	0.494	S	S	.	.	H	α-helix	trans	-66.2	-39	176.7	-75.6	-57.7	0	0	0	112	H392 Q393 E394 L398 Q399 D400	H392-N396 PolarHBondContact CE1-ND2 3.13Å; H392-N396 PolarHBondContact ND1-ND2 3.38Å; H392-N396 PolarHBondContact O-N 3.21Å; H392-N396 PolarHBondContact O-ND2 2.99Å; Q393-N396 PolarHBondContact O-N 3Å; E394-N396 VanDerWaalsContact C-N 3.34Å; E394-N396 PolarHBondContact O-N 2.84Å; N396-L398 VanDerWaalsContact C-N 3.33Å; N396-Q399 PolarHBondContact O-N 3.07Å; N396-D400 WeakPolarHBondContact O-CB 3.32Å; N396-D400 PolarHBondContact O-N 3.38Å
397	I	77.9	Confident	75.9	Confident	116 Å²	116	100.8 Å²	100.8	60%	0.595	50%	0.501	S	S	*	.	H	α-helix	trans	-64.5	-42.4	177.2	-67.4	164.4	0	0	0	110	Q393 E394 D400 H401	Q393-I397 VanDerWaalsContact O-CG1 3.31Å; Q393-I397 WeakPolarHBondContact O-CG1 3.36Å; Q393-I397 PolarHBondContact O-N 3.3Å; Q393-I397 VanDerWaalsContact O-N 3.11Å; E394-I397 PolarHBondContact O-N 3.15Å; E394-I397 VanDerWaalsContact O-N 3.14Å; I397-D400 PolarHBondContact O-N 2.99Å; I397-H401 WeakPolarHBondContact O-CB 3.47Å; I397-H401 PolarHBondContact O-N 3.11Å
398	L	74.3	Confident	74.1	Confident	115 Å²	115	105 Å²	105	60%	0.602	52%	0.524	S	S	*	.	H	α-helix	trans	-63.7	-42.7	175.7	-71	171	0	0	0	111.5	E394 D395 N396 H401 F402	E394-L398 WeakPolarHBondContact O-CG 3.3Å; E394-L398 PolarHBondContact O-N 3.1Å; D395-L398 PolarHBondContact O-N 2.92Å; N396-L398 VanDerWaalsContact C-N 3.33Å; L398-H401 PolarHBondContact O-N 3.43Å; L398-F402 WeakPolarHBondContact O-CB 3.26Å; L398-F402 PolarHBondContact O-N 3Å
399	Q	74	Confident	71.9	Confident	100 Å²	100	106.7 Å²	106.7	47%	0.467	53%	0.532	S	S	.	.	H	α-helix	trans	-64.7	-42	176.7	-171	65.9	49.8	0	0	112.1	D395 N396 H401 F402 N403	D395-Q399 WeakPolarHBondContact O-CB 3.48Å; D395-Q399 PolarHBondContact O-N 3.13Å; N396-Q399 PolarHBondContact O-N 3.07Å; Q399-H401 VanDerWaalsContact C-N 3.35Å; Q399-F402 PolarHBondContact O-N 3.14Å; Q399-N403 PolarHBondContact NE2-OD1 3.49Å; Q399-N403 WeakPolarHBondContact O-CB 3.24Å; Q399-N403 PolarHBondContact O-N 3.05Å; Q399-N403 PolarHBondContact O-ND2 3.44Å
400	D	72.7	Confident	69.6	Low	110 Å²	110	110.3 Å²	110.3	59%	0.588	55%	0.551	S	S	*	*	H	α-helix	trans	-65.1	-39.9	176.2	-78.1	-15.1	0	0	0	111.3	N396 I397 N403 S404	N396-D400 WeakPolarHBondContact O-CB 3.32Å; N396-D400 PolarHBondContact O-N 3.38Å; I397-D400 PolarHBondContact O-N 2.99Å; D400-N403 PolarHBondContact O-N 3.24Å; D400-S404 WeakPolarHBondContact O-CB 3.37Å; D400-S404 PolarHBondContact O-N 3.45Å
401	H	72.8	Confident	67.1	Low	121 Å²	121	112.5 Å²	112.5	56%	0.56	57%	0.571	S	S	*	*	H	α-helix	trans	-64.5	-42.8	174.4	-169.8	-100.9	0	0	0	111.6	I397 L398 Q399 S404 L405	I397-H401 WeakPolarHBondContact O-CB 3.47Å; I397-H401 PolarHBondContact O-N 3.11Å; L398-H401 PolarHBondContact O-N 3.43Å; Q399-H401 VanDerWaalsContact C-N 3.35Å; H401-S404 PolarHBondContact O-N 3.48Å; H401-L405 WeakPolarHBondContact O-CG 3.27Å; H401-L405 PolarHBondContact O-N 2.87Å; H401-L405 VanDerWaalsContact O-N 3.12Å
402	F	72.7	Confident	64.4	Low	100 Å²	100	112.9 Å²	112.9	44%	0.439	58%	0.582	S	S	.	*	H	α-helix	trans	-63.7	-44.4	175.6	-171.8	-99.5	0	0	0	112.1	L398 Q399 S404 L405 L406	L398-F402 WeakPolarHBondContact O-CB 3.26Å; L398-F402 PolarHBondContact O-N 3Å; Q399-F402 PolarHBondContact O-N 3.14Å; F402-S404 VanDerWaalsContact C-N 3.34Å; F402-S404 PolarHBondContact O-N 2.9Å; F402-L405 PolarHBondContact O-N 3.34Å; F402-L406 HydrophobicContact CD1-CD1 3.79Å; F402-L406 HydrophobicContact CD2-CD1 4.31Å; F402-L406 HydrophobicContact CE1-CD1 3.34Å; F402-L406 HydrophobicContact CE1-CD2 4.41Å; F402-L406 HydrophobicContact CE1-CG 4.49Å; F402-L406 HydrophobicContact CE2-CD1 3.91Å; F402-L406 HydrophobicContact CG-CD1 4.26Å; F402-L406 HydrophobicContact CZ-CD1 3.41Å; F402-L406 VanDerWaalsContact CZ-CD1 3.41Å; F402-L406 PolarHBondContact O-N 3.36Å
403	N	70.8	Confident	62	Low	55 Å²	55	114.5 Å²	114.5	29%	0.294	60%	0.595	S	S	.	*	H	α-helix	trans	-62.4	-41.2	174.9	-69.2	-21	0	0	0	111.1	Q399 D400 L405 L406 F407	Q399-N403 PolarHBondContact NE2-OD1 3.49Å; Q399-N403 WeakPolarHBondContact O-CB 3.24Å; Q399-N403 PolarHBondContact O-N 3.05Å; Q399-N403 PolarHBondContact O-ND2 3.44Å; D400-N403 PolarHBondContact O-N 3.24Å; N403-L405 PolarHBondContact O-N 3.08Å; N403-L406 PolarHBondContact O-N 3.44Å; N403-F407 HydrophobicContact CB-CD2 4.14Å; N403-F407 HydrophobicContact CB-CE2 4.25Å; N403-F407 WeakPolarHBondContact O-CD2 3.13Å; N403-F407 PolarHBondContact O-N 3.32Å
404	S	68.4	Low	59.8	Low	80 Å²	80	117.2 Å²	117.2	56%	0.559	61%	0.607	S	S	*	*	H	α-helix	trans	-63.1	-29.1	176.8	-171	0	0	0	0	113	D400 H401 F402	D400-S404 WeakPolarHBondContact O-CB 3.37Å; D400-S404 PolarHBondContact O-N 3.45Å; H401-S404 PolarHBondContact O-N 3.48Å; F402-S404 VanDerWaalsContact C-N 3.34Å; F402-S404 PolarHBondContact O-N 2.9Å
405	L	62.1	Low	57.6	Low	119 Å²	119	119.2 Å²	119.2	62%	0.623	62%	0.621	S	S	*	*	H	α-helix	trans	-79.5	-38	175.9	-72	168.3	0	0	0	112.2	H401 F402 N403	H401-L405 WeakPolarHBondContact O-CG 3.27Å; H401-L405 PolarHBondContact O-N 2.87Å; H401-L405 VanDerWaalsContact O-N 3.12Å; F402-L405 PolarHBondContact O-N 3.34Å; N403-L405 PolarHBondContact O-N 3.08Å
406	L	58.5	Low	55.3	Low	103 Å²	103	122.3 Å²	122.3	54%	0.539	64%	0.637	S	S	.	*	H	α-helix	trans	-73.5	-31.9	179.1	-102	89.6	0	0	0	114.3	F402 N403	F402-L406 HydrophobicContact CD1-CD1 3.79Å; F402-L406 HydrophobicContact CD2-CD1 4.31Å; F402-L406 HydrophobicContact CE1-CD1 3.34Å; F402-L406 HydrophobicContact CE1-CD2 4.41Å; F402-L406 HydrophobicContact CE1-CG 4.49Å; F402-L406 HydrophobicContact CE2-CD1 3.91Å; F402-L406 HydrophobicContact CG-CD1 4.26Å; F402-L406 HydrophobicContact CZ-CD1 3.41Å; F402-L406 VanDerWaalsContact CZ-CD1 3.41Å; F402-L406 PolarHBondContact O-N 3.36Å; N403-L406 PolarHBondContact O-N 3.44Å
407	F	56	Low	53.1	Low	156 Å²	156	125.9 Å²	125.9	68%	0.684	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	7.8	-170.7	-68.1	-66.6	0	0	0	114.9	N403	N403-F407 HydrophobicContact CB-CD2 4.14Å; N403-F407 HydrophobicContact CB-CE2 4.25Å; N403-F407 WeakPolarHBondContact O-CD2 3.13Å; N403-F407 PolarHBondContact O-N 3.32Å
408	N	49	Very low	50.8	Low	145 Å²	145	127.6 Å²	127.6	78%	0.775	67%	0.667	S	S	*	*	S	Bend	trans	-88.4	0.2	-178.7	-139.5	23.5	0	0	0	114.5
409	E	41.6	Very low	48.7	Very low	175 Å²	175	131 Å²	131	82%	0.818	68%	0.68	S	S	*	*	S	Bend	trans	-122.9	68.3	172.5	-72.9	-163.6	145.5	0	0	111.1
410	Q	38.7	Very low	46.9	Very low	182 Å²	182	134 Å²	134	85%	0.85	69%	0.693	S	S	*	*	S	Bend	trans	175.8	111.2	148.4	-96.7	158.5	54	0	0	111
411	S	34.6	Very low	45	Very low	108 Å²	108	133.2 Å²	133.2	76%	0.755	70%	0.697	S	S	*	*			trans	47.6	108.2	142.7	-63.2	0	0	0	0	120.2
412	S	29.5	Very low	43.6	Very low	99 Å²	99	133.8 Å²	133.8	69%	0.692	70%	0.704	S	S	*	*				17.4	134.1	124.5	62.5	0	0	0	0	119.6
413	N	30.7	Very low	42.5	Very low	151 Å²	151	138.4 Å²	138.4	81%	0.807	72%	0.724	S	S	*	*			trans	79.5	96.1	162.6	-62.9	-27.9	0	0	0	117.2
414	H	33.9	Very low	41.9	Very low	168 Å²	168	140.3 Å²	140.3	78%	0.778	73%	0.733	S	S	*	*				-169.2	119.5	103	-129	-69.1	0	0	0	112	N416	H414-N416 PolarHBondContact O-N 2.94Å
415	N	32	Very low	42.1	Very low	140 Å²	140	141 Å²	141	75%	0.749	73%	0.734	S	S	*	*			trans	-54.4	129.4	156.6	-87.7	-37.8	0	0	0	109.4
416	N	33	Very low	42.7	Very low	151 Å²	151	145 Å²	145	81%	0.807	75%	0.747	S	S	*	*			trans	-151	102	147.2	-93.8	-31.8	0	0	0	110.3	H414 N418	H414-N416 PolarHBondContact O-N 2.94Å; N416-N418 PolarHBondContact O-N 3.46Å
417	N	31.3	Very low	43.2	Very low	150 Å²	150	150.7 Å²	150.7	80%	0.802	76%	0.761	S	S	*	*			trans	-56	124.1	165.1	-66	-51.2	0	0	0	109.5
418	N	30.3	Very low	43.9	Very low	152 Å²	152	144.9 Å²	144.9	81%	0.813	74%	0.742	S	S	*	*			trans	-141.6	80.7	158.4	-131.5	-12.8	0	0	0	109.5	N416 H420	N416-N418 PolarHBondContact O-N 3.46Å; N418-H420 VanDerWaalsContact C-N 3.34Å; N418-H420 PolarHBondContact O-N 2.9Å
419	E	31.1	Very low	45.1	Very low	187 Å²	187	144.3 Å²	144.3	87%	0.874	73%	0.732	S	S	*	*			trans	-61.7	94.4	164	-80.8	-172.6	132.2	0	0	109	S421	E419-S421 VanDerWaalsContact C-N 3.33Å; E419-S421 PolarHBondContact O-N 3.07Å; E419-S421 VanDerWaalsContact O-N 3.12Å
420	H	35.1	Very low	46.9	Very low	162 Å²	162	143.8 Å²	143.8	75%	0.75	73%	0.727	S	S	*	*			trans	-81.9	88.6	162.4	-127	42.3	0	0	0	109.4	N418 N422	N418-H420 VanDerWaalsContact C-N 3.34Å; N418-H420 PolarHBondContact O-N 2.9Å; H420-N422 VanDerWaalsContact C-N 3.28Å; H420-N422 PolarHBondContact O-N 2.96Å
421	S	32.9	Very low	48.7	Very low	94 Å²	94	138 Å²	138	66%	0.657	71%	0.711	S	S	*	*			trans	-57.3	86.6	168.5	146.5	0	0	0	0	110.1	E419 K423	E419-S421 VanDerWaalsContact C-N 3.33Å; E419-S421 PolarHBondContact O-N 3.07Å; E419-S421 VanDerWaalsContact O-N 3.12Å; S421-K423 PolarHBondContact O-N 2.94Å; S421-K423 VanDerWaalsContact O-N 3.1Å
422	N	44.4	Very low	50.6	Low	133 Å²	133	138.4 Å²	138.4	71%	0.711	70%	0.701	S	S	*	*			trans	-71.7	103.2	162.8	-77.8	-31.7	0	0	0	108	H420 L424	H420-N422 VanDerWaalsContact C-N 3.28Å; H420-N422 PolarHBondContact O-N 2.96Å; N422-L424 VanDerWaalsContact C-N 3.27Å; N422-L424 PolarHBondContact O-N 3.22Å
423	K	48.4	Very low	52.9	Low	197 Å²	197	143.2 Å²	143.2	86%	0.857	70%	0.704	S	S	*	*			trans	-61.4	87.7	173.9	-85.8	176	178.2	167.8	0	109.8	S421 T425	S421-K423 PolarHBondContact O-N 2.94Å; S421-K423 VanDerWaalsContact O-N 3.1Å; K423-T425 PolarHBondContact O-N 2.98Å
424	L	58.1	Low	55.4	Low	95 Å²	95	142.2 Å²	142.2	50%	0.497	69%	0.692	S	S	.	*			trans	-57.5	131.3	167.5	-72.5	170.3	0	0	0	109.3	N422 A428	N422-L424 VanDerWaalsContact C-N 3.27Å; N422-L424 PolarHBondContact O-N 3.22Å; L424-A428 HydrophobicContact CB-CB 4.15Å; L424-A428 HydrophobicContact CD2-CB 4.05Å
425	T	73.7	Confident	57.4	Low	95 Å²	95	142.6 Å²	142.6	58%	0.583	69%	0.687	S	S	*	*			trans	-55.4	150.8	175.6	65	0	0	0	0	110.4	K423 R427 A428 K429	K423-T425 PolarHBondContact O-N 2.98Å; T425-R427 PolarHBondContact O-N 3.44Å; T425-A428 PolarHBondContact O-N 3.36Å; T425-A428 PolarHBondContact OG1-N 2.82Å; T425-K429 PolarHBondContact O-N 2.74Å; T425-K429 VanDerWaalsContact O-N 3.11Å
426	K	73.5	Confident	59.6	Low	203 Å²	203	142.5 Å²	142.5	88%	0.883	68%	0.68	S	S	*	*	H	α-helix	trans	-49.5	-28.8	175.8	-83.7	-177.4	177.1	175.6	0	112.9	K430	K426-K430 PolarHBondContact O-N 3.39Å
427	R	70.5	Confident	61.9	Low	221 Å²	221	142 Å²	142	83%	0.834	67%	0.67	S	S	*	*	H	α-helix	trans	-75.4	-40.8	178.6	-162.5	172.7	-178.4	175.3	-0.7	112.6	T425 K430 A431	T425-R427 PolarHBondContact O-N 3.44Å; R427-K430 PolarHBondContact O-N 2.54Å; R427-A431 PolarHBondContact O-N 2.93Å; R427-A431 VanDerWaalsContact O-N 3.12Å
428	A	70	Confident	64.2	Low	34 Å²	34	139.6 Å²	139.6	28%	0.281	65%	0.654	S	S	.	*	H	α-helix	trans	-65.5	-45.2	175.3	0	0	0	0	0	111.4	L424 T425 K430 A431 E432	L424-A428 HydrophobicContact CB-CB 4.15Å; L424-A428 HydrophobicContact CD2-CB 4.05Å; T425-A428 PolarHBondContact O-N 3.36Å; T425-A428 PolarHBondContact OG1-N 2.82Å; A428-K430 PolarHBondContact O-N 3.42Å; A428-A431 PolarHBondContact O-N 3.18Å; A428-A431 VanDerWaalsContact O-N 3.11Å; A428-E432 PolarHBondContact O-N 3.16Å
429	K	73.9	Confident	66.2	Low	133 Å²	133	137.1 Å²	137.1	58%	0.578	64%	0.641	S	S	*	*	H	α-helix	trans	-61.1	-29.9	177.3	-134.6	168.4	-173.1	169.8	0	113.3	T425 R433	T425-K429 PolarHBondContact O-N 2.74Å; T425-K429 VanDerWaalsContact O-N 3.11Å; K429-R433 WeakPolarHBondContact O-CG 3.39Å; K429-R433 PolarHBondContact O-N 3.15Å
430	K	78.8	Confident	68.3	Low	164 Å²	164	133.4 Å²	133.4	71%	0.713	62%	0.623	S	S	*	*	H	α-helix	trans	-78.4	-36.8	175.2	-172.1	172.8	-178.2	176.1	0	112.7	K426 R427 A428 K434	K426-K430 PolarHBondContact O-N 3.39Å; R427-K430 PolarHBondContact O-N 2.54Å; A428-K430 PolarHBondContact O-N 3.42Å; K430-K434 PolarHBondContact O-N 3.2Å; K430-K434 VanDerWaalsContact O-N 3.14Å
431	A	76.5	Confident	70	Confident	61 Å²	61	130.7 Å²	130.7	50%	0.504	61%	0.614	S	S	.	*	H	α-helix	trans	-67.6	-40.4	176.7	0	0	0	0	0	111.5	R427 A428 K434 R435	R427-A431 PolarHBondContact O-N 2.93Å; R427-A431 VanDerWaalsContact O-N 3.12Å; A428-A431 PolarHBondContact O-N 3.18Å; A428-A431 VanDerWaalsContact O-N 3.11Å; A431-K434 WeakPolarHBondContact O-CB 3.5Å; A431-K434 PolarHBondContact O-N 3.5Å; A431-R435 PolarHBondContact O-N 2.86Å
432	E	74.3	Confident	71.3	Confident	117 Å²	117	131.8 Å²	131.8	55%	0.547	61%	0.608	S	S	.	*	H	α-helix	trans	-64.3	-44.7	176.7	-168.4	175.3	-174.6	0	0	112.3	A428 K434 R435 K436	A428-E432 PolarHBondContact O-N 3.16Å; E432-K434 VanDerWaalsContact C-N 3.29Å; E432-K434 PolarHBondContact O-N 3.34Å; E432-R435 PolarHBondContact O-N 2.73Å; E432-K436 WeakPolarHBondContact O-CB 3.45Å; E432-K436 PolarHBondContact O-N 3.31Å
433	R	78.8	Confident	72	Confident	200 Å²	200	130.3 Å²	130.3	76%	0.755	60%	0.6	S	S	*	*	H	α-helix	trans	-59.7	-36.6	172.1	-78.2	-179.4	174.6	-170.2	-2.6	113.1	K429 K437	K429-R433 WeakPolarHBondContact O-CG 3.39Å; K429-R433 PolarHBondContact O-N 3.15Å; R433-K437 WeakPolarHBondContact O-CB 3.47Å; R433-K437 PolarHBondContact O-N 3.44Å; R433-K437 VanDerWaalsContact O-N 3.15Å
434	K	82.2	Confident	72.3	Confident	130 Å²	130	124.2 Å²	124.2	57%	0.565	58%	0.582	S	S	*	*	H	α-helix	trans	-68.6	-42.5	176.7	-172.6	175.3	-173.2	-69.9	0	111.1	K430 A431 E432 K437 E438	K430-K434 PolarHBondContact O-N 3.2Å; K430-K434 VanDerWaalsContact O-N 3.14Å; A431-K434 WeakPolarHBondContact O-CB 3.5Å; A431-K434 PolarHBondContact O-N 3.5Å; E432-K434 VanDerWaalsContact C-N 3.29Å; E432-K434 PolarHBondContact O-N 3.34Å; K434-K437 PolarHBondContact O-N 3.45Å; K434-E438 IonicContact NZ-OE1 3.43Å; K434-E438 PolarHBondContact NZ-OE1 2.97Å; K434-E438 WeakPolarHBondContact O-CG 3.49Å; K434-E438 PolarHBondContact O-N 3.02Å
435	R	77	Confident	72.1	Confident	175 Å²	175	123 Å²	123	66%	0.66	58%	0.582	S	S	*	*	H	α-helix	trans	-66.2	-41.8	178.3	-154.9	178.1	178.3	-159.1	-3.4	111.8	A431 E432 K437 E438 L439	A431-R435 PolarHBondContact O-N 2.86Å; E432-R435 PolarHBondContact O-N 2.73Å; R435-K437 PolarHBondContact O-N 2.69Å; R435-E438 PolarHBondContact O-N 3.45Å; R435-L439 HydrophobicContact CG-CD1 4.49Å; R435-L439 PolarHBondContact O-N 2.71Å
436	K	78.6	Confident	70.9	Confident	139 Å²	139	122.6 Å²	122.6	60%	0.604	58%	0.576	S	S	*	*	H	α-helix	trans	-62.1	-41.4	174.9	-165.1	172.5	-179.2	175.3	0	112	E432 L439 E440	E432-K436 WeakPolarHBondContact O-CB 3.45Å; E432-K436 PolarHBondContact O-N 3.31Å; K436-L439 PolarHBondContact O-N 3.15Å; K436-E440 WeakPolarHBondContact O-CG 3.34Å; K436-E440 PolarHBondContact O-N 3.38Å
437	K	81.6	Confident	69.4	Low	140 Å²	140	116 Å²	116	61%	0.609	56%	0.556	S	S	*	*	H	α-helix	trans	-67.5	-35.2	175.6	-166.5	171.6	-176.5	175.1	0	113.4	R433 K434 R435 L441	R433-K437 WeakPolarHBondContact O-CB 3.47Å; R433-K437 PolarHBondContact O-N 3.44Å; R433-K437 VanDerWaalsContact O-N 3.15Å; K434-K437 PolarHBondContact O-N 3.45Å; R435-K437 PolarHBondContact O-N 2.69Å; K437-L441 HydrophobicContact CG-CD1 4.36Å; K437-L441 WeakPolarHBondContact O-CB 3.21Å; K437-L441 WeakPolarHBondContact O-CD1 3.47Å; K437-L441 WeakPolarHBondContact O-CG 3.39Å; K437-L441 PolarHBondContact O-N 3.14Å; K437-L441 VanDerWaalsContact O-N 3.08Å
438	E	78.7	Confident	68.3	Low	99 Å²	99	110.8 Å²	110.8	46%	0.463	54%	0.543	S	S	.	.	H	α-helix	trans	-69.2	-38.2	174.6	-76	167.3	-177.4	0	0	111.9	K434 R435 L441 H442	K434-E438 IonicContact NZ-OE1 3.43Å; K434-E438 PolarHBondContact NZ-OE1 2.97Å; K434-E438 WeakPolarHBondContact O-CG 3.49Å; K434-E438 PolarHBondContact O-N 3.02Å; R435-E438 PolarHBondContact O-N 3.45Å; E438-L441 PolarHBondContact O-N 2.95Å; E438-H442 WeakPolarHBondContact O-CB 3.39Å; E438-H442 PolarHBondContact O-N 2.84Å
439	L	73.4	Confident	66.9	Low	101 Å²	101	114.2 Å²	114.2	53%	0.529	56%	0.556	S	S	.	*	H	α-helix	trans	-65.6	-42.6	172.7	-86.2	148.5	0	0	0	112.4	R435 K436 H442 N443	R435-L439 HydrophobicContact CG-CD1 4.49Å; R435-L439 PolarHBondContact O-N 2.71Å; K436-L439 PolarHBondContact O-N 3.15Å; L439-H442 PolarHBondContact O-N 3.29Å; L439-N443 WeakPolarHBondContact O-CB 3.12Å; L439-N443 PolarHBondContact O-N 3.1Å
440	E	74	Confident	65.3	Low	109 Å²	109	113.9 Å²	113.9	51%	0.509	56%	0.561	S	S	.	*	H	α-helix	trans	-62.5	-41.2	174.7	-75.8	168.4	-173.6	0	0	111.8	K436 N443 S444	K436-E440 WeakPolarHBondContact O-CG 3.34Å; K436-E440 PolarHBondContact O-N 3.38Å; E440-N443 PolarHBondContact O-N 3.06Å; E440-S444 WeakPolarHBondContact O-CB 3.42Å; E440-S444 PolarHBondContact O-N 3.17Å; E440-S444 PolarHBondContact O-OG 2.59Å
441	L	71.4	Confident	63.4	Low	105 Å²	105	113.6 Å²	113.6	55%	0.55	56%	0.562	S	S	.	*	H	α-helix	trans	-66.2	-36.3	175.6	-79.1	160.5	0	0	0	113	K437 E438 S445	K437-L441 HydrophobicContact CG-CD1 4.36Å; K437-L441 WeakPolarHBondContact O-CB 3.21Å; K437-L441 WeakPolarHBondContact O-CD1 3.47Å; K437-L441 WeakPolarHBondContact O-CG 3.39Å; K437-L441 PolarHBondContact O-N 3.14Å; K437-L441 VanDerWaalsContact O-N 3.08Å; E438-L441 PolarHBondContact O-N 2.95Å; L441-S445 WeakPolarHBondContact O-CB 3.32Å; L441-S445 PolarHBondContact O-N 2.81Å; L441-S445 VanDerWaalsContact O-N 3.14Å; L441-S445 PolarHBondContact O-OG 2.86Å
442	H	60.8	Low	61.8	Low	116 Å²	116	118.9 Å²	118.9	54%	0.537	58%	0.576	S	S	.	*	H	α-helix	trans	-71.7	-39.4	177.3	-161.1	-78.2	0	0	0	111.6	E438 L439 S445 N446	E438-H442 WeakPolarHBondContact O-CB 3.39Å; E438-H442 PolarHBondContact O-N 2.84Å; L439-H442 PolarHBondContact O-N 3.29Å; H442-S445 PolarHBondContact O-N 3.46Å; H442-N446 PolarHBondContact ND1-ND2 3.4Å; H442-N446 PolarHBondContact O-N 3.21Å; H442-N446 VanDerWaalsContact O-N 3.14Å
443	N	57.3	Low	60.1	Low	102 Å²	102	121 Å²	121	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-71.4	-36.9	176.9	-75	-5.6	0	0	0	112.6	L439 E440 S445 N446 S447	L439-N443 WeakPolarHBondContact O-CB 3.12Å; L439-N443 PolarHBondContact O-N 3.1Å; E440-N443 PolarHBondContact O-N 3.06Å; N443-S445 VanDerWaalsContact C-N 3.31Å; N443-S445 PolarHBondContact O-N 3.19Å; N443-N446 PolarHBondContact O-N 2.86Å; N443-S447 PolarHBondContact O-N 3.34Å
444	S	56.2	Low	57.9	Low	69 Å²	69	118.3 Å²	118.3	48%	0.483	59%	0.586	S	S	.	*	H	α-helix	trans	-68.2	-28.7	172.3	-67.9	0	0	0	0	113.2	E440 I448	E440-S444 WeakPolarHBondContact O-CB 3.42Å; E440-S444 PolarHBondContact O-N 3.17Å; E440-S444 PolarHBondContact O-OG 2.59Å; S444-I448 WeakPolarHBondContact O-CD1 3.35Å; S444-I448 VanDerWaalsContact O-CG1 3.31Å; S444-I448 WeakPolarHBondContact O-CG1 3.26Å; S444-I448 PolarHBondContact O-N 3.23Å
445	S	53.3	Low	55.6	Low	71 Å²	71	119.7 Å²	119.7	50%	0.497	60%	0.6	S	S	.	*	H	α-helix	trans	-75	-29.3	175.1	-56.6	0	0	0	0	112.2	L441 H442 N443	L441-S445 WeakPolarHBondContact O-CB 3.32Å; L441-S445 PolarHBondContact O-N 2.81Å; L441-S445 VanDerWaalsContact O-N 3.14Å; L441-S445 PolarHBondContact O-OG 2.86Å; H442-S445 PolarHBondContact O-N 3.46Å; N443-S445 VanDerWaalsContact C-N 3.31Å; N443-S445 PolarHBondContact O-N 3.19Å
446	N	47.4	Very low	53.5	Low	86 Å²	86	117.2 Å²	117.2	46%	0.46	61%	0.609	S	S	.	*	H	α-helix	trans	-83.2	-26.7	176	-74.7	-8.8	0	0	0	113.4	H442 N443	H442-N446 PolarHBondContact ND1-ND2 3.4Å; H442-N446 PolarHBondContact O-N 3.21Å; H442-N446 VanDerWaalsContact O-N 3.14Å; N443-N446 PolarHBondContact O-N 2.86Å
447	S	43.8	Very low	51.2	Low	65 Å²	65	117.5 Å²	117.5	46%	0.455	62%	0.623	S	S	.	*	H	α-helix	trans	-76.2	-28.1	175.8	123	0	0	0	0	113.1	N443 L449	N443-S447 PolarHBondContact O-N 3.34Å; S447-L449 VanDerWaalsContact C-N 3.32Å; S447-L449 PolarHBondContact O-N 2.95Å
448	I	46.1	Very low	48.9	Very low	110 Å²	110	115.8 Å²	115.8	56%	0.564	63%	0.628	S	S	*	*	H	α-helix	trans	-75	-21.5	178.9	-68.2	168.2	0	0	0	112.4	S444	S444-I448 WeakPolarHBondContact O-CD1 3.35Å; S444-I448 VanDerWaalsContact O-CG1 3.31Å; S444-I448 WeakPolarHBondContact O-CG1 3.26Å; S444-I448 PolarHBondContact O-N 3.23Å
449	L	41.5	Very low	46.9	Very low	107 Å²	107	118.4 Å²	118.4	56%	0.56	65%	0.646	S	S	*	*	H	α-helix	trans	-86.1	-20.4	177.7	-71.9	168.1	0	0	0	113.3	S447	S447-L449 VanDerWaalsContact C-N 3.32Å; S447-L449 PolarHBondContact O-N 2.95Å
450	N	40	Very low	44.9	Very low	126 Å²	126	121.3 Å²	121.3	67%	0.674	66%	0.656	S	S	*	*	H	α-helix	trans	-94.6	-6.1	-178.9	-95.7	-1	0	0	0	114.9
451	E	38.6	Very low	43.1	Very low	157 Å²	157	123.8 Å²	123.8	73%	0.734	67%	0.671	S	S	*	*	S	Bend	trans	-99.8	-1.5	178.4	-97	178.7	121.4	0	0	114.5
452	Q	43.9	Very low	41.2	Very low	172 Å²	172	126.4 Å²	126.4	80%	0.804	68%	0.681	S	S	*	*	S	Bend	trans	-103.2	5.7	179.3	-68	-172.8	-9.3	0	0	114.5
453	Q	37.4	Very low	40.1	Very low	162 Å²	162	129 Å²	129	76%	0.757	70%	0.697	S	S	*	*	S	Bend	trans	-114.5	8.3	-177.8	-98.6	179.1	-1	0	0	115.6
454	L	33.4	Very low	39.1	Very low	144 Å²	144	135.6 Å²	135.6	75%	0.754	71%	0.714	S	S	*	*			trans	-129.8	76.2	-179.9	-71.3	165.3	0	0	0	110.4
455	N	33.9	Very low	37.8	Very low	158 Å²	158	140 Å²	140	85%	0.845	73%	0.732	S	S	*	*			trans	-167.8	80.3	165.6	-94.5	-24.9	0	0	0	109.2
456	S	32.7	Very low	37	Very low	124 Å²	124	146 Å²	146	87%	0.867	75%	0.752	S	S	*	*			trans	-178.9	74.4	160	-74.9	0	0	0	0	109.9
457	T	30.5	Very low	36.2	Very low	144 Å²	144	148.8 Å²	148.8	88%	0.883	77%	0.773	S	S	*	*			trans	-136	104	166.3	54.4	0	0	0	0	109.4
458	S	31.9	Very low	35.8	Very low	104 Å²	104	151.3 Å²	151.3	73%	0.727	79%	0.79	S	S	*	*			trans	177.5	107.5	142.6	-173	0	0	0	0	106.8
459	D	37	Very low	35.1	Very low	155 Å²	155	151.3 Å²	151.3	83%	0.829	80%	0.8	S	S	*	*				-174.6	121.7	119.9	-83.8	-12.7	0	0	0	109.8
460	H	31.9	Very low	34.6	Very low	162 Å²	162	152.4 Å²	152.4	75%	0.75	82%	0.815	S	S	*	*			trans	-53.9	140.6	172.4	-115.4	-95.4	0	0	0	111.3
461	I	36.7	Very low	34.2	Very low	160 Å²	160	155.2 Å²	155.2	82%	0.821	82%	0.824	S	S	*	*			trans	-169.4	117.7	130.1	-87.8	143.4	0	0	0	107.7
462	E	31.1	Very low	33.9	Very low	161 Å²	161	155.4 Å²	155.4	75%	0.752	83%	0.829	S	S	*	*			trans	-69.5	144.2	169.1	-62	173.9	152.8	0	0	110.1
463	I	37.7	Very low	33.4	Very low	169 Å²	169	154 Å²	154	87%	0.867	83%	0.828	S	S	*	*			trans	-165.5	144.2	139.7	-90.2	141.5	0	0	0	109.1
464	R	35.3	Very low	33.1	Very low	241 Å²	241	154.2 Å²	154.2	91%	0.909	83%	0.834	S	S	*	*			trans	-68.7	152.5	-159.4	-69.8	164.9	168.8	166.2	-5.3	116.6
465	N	30.6	Very low	33.2	Very low	161 Å²	161	152.8 Å²	152.8	86%	0.861	83%	0.831	S	S	*	*			trans	-64	133.6	165.7	-67.4	-28.2	0	0	0	112.4
466	E	36.6	Very low	33.1	Very low	197 Å²	197	152 Å²	152	92%	0.921	83%	0.832	S	S	*	*			trans	-140.2	129.1	141.3	-73.1	-166.1	168.3	0	0	109.9
467	T	30.4	Very low	33.2	Very low	145 Å²	145	152.9 Å²	152.9	89%	0.89	83%	0.826	S	S	*	*			trans	-66.3	132	179.3	41.6	0	0	0	0	112.6
468	S	35.4	Very low	33.3	Very low	119 Å²	119	153.9 Å²	153.9	83%	0.832	82%	0.82	S	S	*	*			trans	-156.9	137.5	150.8	-166.7	0	0	0	0	111.6
469	S	30.8	Very low	33.5	Very low	109 Å²	109	154.5 Å²	154.5	76%	0.762	83%	0.825	S	S	*	*			trans	-64.8	136.5	-174.5	54.2	0	0	0	0	114.9
470	C	31.5	Very low	33.1	Very low	130 Å²	130	152.9 Å²	152.9	88%	0.878	82%	0.821	S	S	*	*			trans	-162	129.6	137.5	46.7	0	0	0	0	110.6
471	E	30	Very low	33.2	Very low	186 Å²	186	151.8 Å²	151.8	87%	0.869	82%	0.819	S	S	*	*			trans	-72.6	165.4	177.7	-64.5	171.5	135.7	0	0	111.5
472	L	33.4	Very low	33.1	Very low	160 Å²	160	151 Å²	151	84%	0.838	81%	0.812	S	S	*	*			trans	95.1	97.3	174	-50.9	167.3	0	0	0	114.6
473	D	33.6	Very low	33.3	Very low	144 Å²	144	151.4 Å²	151.4	77%	0.77	82%	0.819	S	S	*	*				177	140.1	105.4	-92.4	-26.9	0	0	0	114.7	T475	D473-T475 PolarHBondContact O-N 2.99Å
474	N	31	Very low	32.9	Very low	166 Å²	166	150.2 Å²	150.2	89%	0.888	82%	0.815	S	S	*	*			trans	-55.4	117.1	176.2	-76.8	-63.4	0	0	0	112
475	T	34.9	Very low	32.7	Very low	113 Å²	113	145.3 Å²	145.3	69%	0.693	81%	0.806	S	S	*	*			trans	-130.8	107.7	166.9	-32	0	0	0	0	110.5	D473 I477	D473-T475 PolarHBondContact O-N 2.99Å; T475-I477 HydrophobicContact CG2-CG1 4.43Å; T475-I477 PolarHBondContact O-N 3.18Å; T475-I477 VanDerWaalsContact O-N 3.11Å
476	T	32.9	Very low	32.7	Very low	142 Å²	142	144.7 Å²	144.7	87%	0.871	80%	0.803	S	S	*	*			trans	-62.1	102.7	163.3	-66.8	0	0	0	0	107.8
477	I	34.8	Very low	32.6	Very low	142 Å²	142	143.5 Å²	143.5	73%	0.728	80%	0.801	S	S	*	*			trans	-96.2	120.4	173.6	-67.9	179.2	0	0	0	109	T475 S479	T475-I477 HydrophobicContact CG2-CG1 4.43Å; T475-I477 PolarHBondContact O-N 3.18Å; T475-I477 VanDerWaalsContact O-N 3.11Å; I477-S479 PolarHBondContact O-N 2.96Å
478	Q	32	Very low	32.7	Very low	165 Å²	165	143.4 Å²	143.4	77%	0.771	80%	0.795	S	S	*	*			trans	-56.5	124.9	163.6	-72.4	168.4	-49.8	0	0	110.1
479	S	35.2	Very low	32.4	Very low	117 Å²	117	144.5 Å²	144.5	82%	0.818	79%	0.792	S	S	*	*			trans	-125.3	93.7	151.2	37.2	0	0	0	0	107.4	I477	I477-S479 PolarHBondContact O-N 2.96Å
480	T	29.3	Very low	32.4	Very low	122 Å²	122	147.5 Å²	147.5	75%	0.748	80%	0.799	S	S	*	*			trans	-74.5	125.1	154.4	42.8	0	0	0	0	107.4
481	I	35.2	Very low	32.3	Very low	138 Å²	138	145.6 Å²	145.6	71%	0.708	79%	0.787	S	S	*	*			trans	-162	112.9	144.3	-91.5	142.5	0	0	0	106.4
482	E	32.7	Very low	32.4	Very low	143 Å²	143	144 Å²	144	67%	0.668	79%	0.785	S	S	*	*			trans	59.6	107.2	142.3	-60.9	164.3	-168.2	0	0	119.3
483	N	35.3	Very low	32.3	Very low	170 Å²	170	146.7 Å²	146.7	91%	0.909	79%	0.79	S	S	*	*				-165.8	108.3	118.8	-94.8	-42.2	0	0	0	111.1
484	N	31.2	Very low	32.3	Very low	145 Å²	145	149 Å²	149	78%	0.775	80%	0.796	S	S	*	*			trans	-85.3	156.5	179	-116.1	-18.9	0	0	0	110.8
485	N	30.8	Very low	32.5	Very low	137 Å²	137	146.2 Å²	146.2	73%	0.733	79%	0.789	S	S	*	*			trans	87.8	84.4	154.9	-51.2	-31.4	0	0	0	119.2
486	N	30.9	Very low	32.2	Very low	149 Å²	149	146.1 Å²	146.1	80%	0.797	79%	0.793	S	S	*	*				-172.3	82.2	124.4	-109.9	-37.5	0	0	0	111.9
487	I	33.4	Very low	32.4	Very low	171 Å²	171	147.8 Å²	147.8	88%	0.877	80%	0.795	S	S	*	*			trans	-109	99.3	156.8	-64.8	179.6	0	0	0	106.5	N489	I487-N489 PolarHBondContact O-N 2.76Å
488	N	33.4	Very low	32.3	Very low	144 Å²	144	150.3 Å²	150.3	77%	0.77	80%	0.801	S	S	*	*			trans	-70.1	123.4	175.7	-115.5	-25.3	0	0	0	109.7	N490	N488-N490 PolarHBondContact O-N 2.87Å
489	N	27.3	Very low	32.2	Very low	141 Å²	141	151.5 Å²	151.5	75%	0.754	81%	0.806	S	S	*	*			trans	-46.6	126	167.6	-68.6	-45.1	0	0	0	112.2	I487	I487-N489 PolarHBondContact O-N 2.76Å
490	N	31.9	Very low	32.1	Very low	172 Å²	172	150.8 Å²	150.8	92%	0.92	80%	0.801	S	S	*	*			trans	-151.2	70	156	-119.9	-4.3	0	0	0	110.4	N488	N488-N490 PolarHBondContact O-N 2.87Å
491	S	30.4	Very low	32.4	Very low	90 Å²	90	152.2 Å²	152.2	63%	0.629	80%	0.804	S	S	*	*			trans	-102.9	135.8	160	47	0	0	0	0	108.7
492	N	30.8	Very low	32.4	Very low	154 Å²	154	155 Å²	155	82%	0.824	81%	0.814	S	S	*	*			trans	102.4	82.8	169.9	-53.4	-19.8	0	0	0	116.8
493	K	32.5	Very low	32.5	Very low	215 Å²	215	153.1 Å²	153.1	94%	0.935	82%	0.817	S	S	*	*			trans	-166.3	90	132.3	-112.5	170.8	-178.7	173.6	0	111.2
494	E	31.8	Very low	32.5	Very low	193 Å²	193	151.2 Å²	151.2	90%	0.902	81%	0.812	S	S	*	*			trans	-77.8	123.2	158.6	-76.4	-177.3	143.3	0	0	109.3
495	S	35.9	Very low	32.6	Very low	107 Å²	107	152.2 Å²	152.2	75%	0.748	82%	0.815	S	S	*	*			trans	177.8	124.2	133.8	39.3	0	0	0	0	111.3
496	S	29.4	Very low	32.8	Very low	111 Å²	111	155 Å²	155	78%	0.776	82%	0.821	S	S	*	*			trans	62.7	107.6	151.6	-56.9	0	0	0	0	118.2
497	I	35.7	Very low	33.1	Very low	178 Å²	178	155.9 Å²	155.9	91%	0.913	82%	0.82	S	S	*	*				-161.6	141.3	128.5	-90.7	139.4	0	0	0	109.8
498	K	33.4	Very low	33.2	Very low	195 Å²	195	153.4 Å²	153.4	85%	0.848	82%	0.818	S	S	*	*			trans	-76.4	156.2	-173.3	-63.8	169.1	176	177.8	0	112.6
499	H	30.7	Very low	33.3	Very low	190 Å²	190	153.3 Å²	153.3	88%	0.88	81%	0.813	S	S	*	*			trans	-29.2	135.8	165	-61.7	-81.9	0	0	0	116.2
500	S	33.3	Very low	33.6	Very low	101 Å²	101	156.7 Å²	156.7	71%	0.706	82%	0.821	S	S	*	*				-179.8	141.9	116.7	52.4	0	0	0	0	112.4
501	N	33.7	Very low	33.7	Very low	153 Å²	153	153.7 Å²	153.7	82%	0.818	81%	0.813	S	S	*	*			trans	91.6	111.1	153.7	-59.5	-14.6	0	0	0	120.2
502	Q	36.1	Very low	33.7	Very low	196 Å²	196	157.5 Å²	157.5	92%	0.916	83%	0.825	S	S	*	*			trans	-47.4	136	158.6	-68.9	160.7	-11.4	0	0	112.4
503	S	35.7	Very low	33.9	Very low	104 Å²	104	155.3 Å²	155.3	73%	0.727	82%	0.821	S	S	*	*			trans	-149.4	103.7	153.9	57	0	0	0	0	109.9
504	T	34.6	Very low	33.7	Very low	130 Å²	130	152.7 Å²	152.7	80%	0.798	82%	0.818	S	S	*	*			trans	6.9	114	146.8	52.2	0	0	0	0	117.7
505	I	34	Very low	33.8	Very low	165 Å²	165	149 Å²	149	85%	0.846	81%	0.813	S	S	*	*			trans	-83.6	109.6	159.3	-65.2	170.4	0	0	0	107
506	K	33.9	Very low	33.8	Very low	195 Å²	195	149.6 Å²	149.6	85%	0.848	82%	0.817	S	S	*	*			trans	-86.1	116.5	165.1	-85.3	-175.8	174.2	-176.5	0	108.1
507	Q	37.7	Very low	34.5	Very low	169 Å²	169	153.3 Å²	153.3	79%	0.79	82%	0.819	S	S	*	*			trans	-69.7	130.5	159.5	-70.3	171.9	-14.2	0	0	108.1
508	S	34.5	Very low	34.9	Very low	118 Å²	118	152.6 Å²	152.6	83%	0.825	82%	0.816	S	S	*	*			trans	-112.1	91.6	169.8	56.8	0	0	0	0	108.4
509	E	36.1	Very low	36.3	Very low	142 Å²	142	150.2 Å²	150.2	66%	0.664	81%	0.812	S	S	*	*			trans	-79.8	118.4	155.1	-71.8	-170.5	154	0	0	106.8	K174 S511	K174-E509 IonicContact NZ-OE1 3.56Å; K174-E509 PolarHBondContact NZ-OE1 3.46Å; K174-E509 IonicContact NZ-OE2 2.99Å; K174-E509 PolarHBondContact NZ-OE2 3.21Å; E509-S511 PolarHBondContact O-N 3.17Å
510	K	33.4	Very low	38.5	Very low	213 Å²	213	147.8 Å²	147.8	93%	0.926	80%	0.799	S	S	*	*			trans	-69.3	112.1	170.2	-95.3	177.5	172.1	-179.5	0	108
511	S	34	Very low	41	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	78%	0.779	S	S	*	*			trans	-114	125	156.6	34.7	0	0	0	0	107.6	E509	E509-S511 PolarHBondContact O-N 3.17Å
512	I	30.7	Very low	43.6	Very low	171 Å²	171	141.6 Å²	141.6	88%	0.877	76%	0.757	S	S	*	*			trans	-84	114.7	174.8	-66.7	164.4	0	0	0	106
513	S	34.2	Very low	46.2	Very low	107 Å²	107	132.3 Å²	132.3	75%	0.748	71%	0.714	S	S	*	*			trans	-166.5	144.1	156.7	46.1	0	0	0	0	110
514	D	28.6	Very low	48.5	Very low	161 Å²	161	133.5 Å²	133.5	86%	0.861	71%	0.712	S	S	*	*			trans	-36.3	134.1	-171.8	-69.5	-61.6	0	0	0	118.3
515	S	34.1	Very low	51	Low	115 Å²	115	130.8 Å²	130.8	80%	0.804	70%	0.695	S	S	*	*				-167.4	123.5	123.5	62	0	0	0	0	112.5	K517	S515-K517 PolarHBondContact O-N 3.04Å
516	S	36.8	Very low	53.7	Low	120 Å²	120	124.9 Å²	124.9	84%	0.839	67%	0.668	S	S	*	*			trans	-70.4	94.3	175	26.7	0	0	0	0	112.1
517	K	43.2	Very low	56.2	Low	188 Å²	188	122.6 Å²	122.6	82%	0.817	66%	0.658	S	S	*	*			trans	-146.3	76.7	156.5	-73.9	-171.1	-177.7	171.6	0	110.2	S515 N519	S515-K517 PolarHBondContact O-N 3.04Å; K517-N519 PolarHBondContact O-N 3.2Å; K517-N519 VanDerWaalsContact O-N 3.17Å
518	I	44	Very low	58.5	Low	164 Å²	164	118.6 Å²	118.6	84%	0.841	64%	0.642	S	S	*	*			trans	-74.2	105.3	169.7	-61.3	173.7	0	0	0	107.1	K520	I518-K520 PolarHBondContact O-N 2.94Å; I518-K520 VanDerWaalsContact O-N 3.13Å
519	N	62.5	Low	61.2	Low	144 Å²	144	118 Å²	118	77%	0.77	63%	0.626	S	S	*	*			trans	-60	113.6	170.1	-73.7	-37.9	0	0	0	108.7	K517 I521	K517-N519 PolarHBondContact O-N 3.2Å; K517-N519 VanDerWaalsContact O-N 3.17Å; N519-I521 PolarHBondContact O-N 3.5Å
520	K	77.2	Confident	63.8	Low	140 Å²	140	112.8 Å²	112.8	61%	0.609	60%	0.601	S	S	*	*			trans	-52.8	121.5	175.6	-60.1	-173.3	157.4	-133.3	0	110.2	I518 I522 E529	I518-K520 PolarHBondContact O-N 2.94Å; I518-K520 VanDerWaalsContact O-N 3.13Å; K520-I522 PolarHBondContact O-N 3.35Å; K520-E529 HydrophobicContact CB-CG 4.38Å; K520-E529 WeakPolarHBondContact CB-OE1 3.38Å; K520-E529 VanDerWaalsContact CD-OE1 3.31Å; K520-E529 WeakPolarHBondContact CD-OE1 3.33Å; K520-E529 WeakPolarHBondContact CE-OE1 3.23Å; K520-E529 WeakPolarHBondContact CG-OE1 3.36Å; K520-E529 IonicContact NZ-OE1 3.25Å; K520-E529 PolarHBondContact NZ-OE1 3.19Å; K520-E529 IonicContact NZ-OE2 3.46Å; K520-E529 PolarHBondContact NZ-OE2 2.9Å
521	I	85.5	Confident	66.2	Low	55 Å²	55	112.3 Å²	112.3	28%	0.282	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.6	98.4	-179.7	-57.6	174.9	0	0	0	107.6	N519 F530 R533 L536	N519-I521 PolarHBondContact O-N 3.5Å; I521-F530 HydrophobicContact CG2-CB 4.44Å; I521-F530 PolarHBondContact O-N 3.17Å; I521-R533 HydrophobicContact CD1-CB 4.34Å; I521-L536 HydrophobicContact CG2-CB 3.78Å; I521-L536 HydrophobicContact CG2-CD2 3.5Å; I521-L536 HydrophobicContact CG2-CG 4.19Å
522	I	88.6	Confident	68.7	Low	69 Å²	69	109.7 Å²	109.7	35%	0.354	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.8	153.1	-178	51.2	171	0	0	0	112.2	K520 I528 E529	K520-I522 PolarHBondContact O-N 3.35Å; I522-I528 VanDerWaalsContact CA-O 3.29Å; I522-I528 WeakPolarHBondContact CA-O 3.47Å; I522-E529 HydrophobicContact CG2-CB 3.96Å; I522-E529 HydrophobicContact CG2-CG 4.17Å
523	C	90.4	Very high	71.4	Confident	1 Å²	1	109.6 Å²	109.6	1%	0.007	57%	0.572	C	S	.	*			trans	-79.7	124.5	167.2	176.2	0	0	0	0	110.7	T525 C526 F527 I528 F530 L536 H539 H545	C523-T525 PolarHBondContact O-N 3.38Å; C523-T525 VanDerWaalsContact O-N 3.08Å; C523-T525 PolarHBondContact SG-N 2.96Å; C523-C526 VanDerWaalsContact SG-SG 3.67Å; C523-F527 WeakPolarHBondContact O-CA 3.46Å; C523-F527 PolarHBondContact O-N 3.35Å; C523-I528 PolarHBondContact N-O 3.4Å; C523-F530 HydrophobicContact CB-CE2 3.85Å; C523-L536 HydrophobicContact CB-CD1 3.82Å; C523-H539 PolarHBondContact SG-NE2 2.92Å; C523-H539 VanDerWaalsContact SG-NE2 3.37Å; C523-H545 VanDerWaalsContact SG-CB 3.55Å; C523-H545 PolarHBondContact SG-ND1 3.29Å; C523-H545 VanDerWaalsContact SG-ND1 3.44Å
524	D	84.1	Confident	73.9	Confident	128 Å²	128	109 Å²	109	68%	0.684	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-15.5	-179.5	-70	-19.4	0	0	0	114.7
525	T	86.7	Confident	76.7	Confident	73 Å²	73	102.8 Å²	102.8	45%	0.448	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-38.1	-175.5	-46.7	0	0	0	0	112.4	C523 H545	C523-T525 PolarHBondContact O-N 3.38Å; C523-T525 VanDerWaalsContact O-N 3.08Å; C523-T525 PolarHBondContact SG-N 2.96Å; T525-H545 VanDerWaalsContact CB-CG 3.5Å; T525-H545 HydrophobicContact CG2-CB 4.36Å; T525-H545 PolarHBondContact OG1-O 2.93Å
526	C	91.5	Very high	79.4	Confident	41 Å²	41	98.5 Å²	98.5	28%	0.277	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	1.6	-179.3	69.1	0	0	0	0	114.7	C523 I528 H539 H545	C523-C526 VanDerWaalsContact SG-SG 3.67Å; C526-I528 HydrophobicContact CB-CD1 4.47Å; C526-I528 HydrophobicContact CB-CG1 4.48Å; C526-I528 PolarHBondContact O-N 3.08Å; C526-I528 VanDerWaalsContact SG-CD1 3.6Å; C526-H539 PolarHBondContact SG-CE1 3.44Å; C526-H539 PolarHBondContact SG-NE2 3.12Å; C526-H545 VanDerWaalsContact CB-CE1 3.43Å; C526-H545 WeakPolarHBondContact CB-CE1 3.31Å; C526-H545 PolarHBondContact SG-ND1 2.94Å
527	F	87.1	Confident	81.9	Confident	148 Å²	148	97.4 Å²	97.4	65%	0.649	48%	0.48	S	S	*	.			trans	58.2	17.5	174.2	-57.9	-80.4	0	0	0	116.2	C523	C523-F527 WeakPolarHBondContact O-CA 3.46Å; C523-F527 PolarHBondContact O-N 3.35Å
528	I	86.5	Confident	84.1	Confident	85 Å²	85	92.6 Å²	92.6	44%	0.436	46%	0.463	S	S	.	.			trans	-70.2	132.7	173.6	-61.4	170.4	0	0	0	109	I522 C523 C526 F530	I522-I528 VanDerWaalsContact CA-O 3.29Å; I522-I528 WeakPolarHBondContact CA-O 3.47Å; C523-I528 PolarHBondContact N-O 3.4Å; C526-I528 HydrophobicContact CB-CD1 4.47Å; C526-I528 HydrophobicContact CB-CG1 4.48Å; C526-I528 PolarHBondContact O-N 3.08Å; C526-I528 VanDerWaalsContact SG-CD1 3.6Å; I528-F530 HydrophobicContact CB-CE2 3.85Å; I528-F530 HydrophobicContact CB-CZ 3.81Å; I528-F530 HydrophobicContact CG2-CE1 4.07Å; I528-F530 HydrophobicContact CG2-CE2 3.91Å; I528-F530 HydrophobicContact CG2-CZ 3.57Å; I528-F530 WeakPolarHBondContact O-CD2 3.48Å; I528-F530 WeakPolarHBondContact O-CE2 3.25Å
529	E	89.8	Confident	86.4	Confident	106 Å²	106	86.1 Å²	86.1	50%	0.495	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.6	177.3	-168.3	169	177.1	0	0	110.4	K520 I522	K520-E529 HydrophobicContact CB-CG 4.38Å; K520-E529 WeakPolarHBondContact CB-OE1 3.38Å; K520-E529 VanDerWaalsContact CD-OE1 3.31Å; K520-E529 WeakPolarHBondContact CD-OE1 3.33Å; K520-E529 WeakPolarHBondContact CE-OE1 3.23Å; K520-E529 WeakPolarHBondContact CG-OE1 3.36Å; K520-E529 IonicContact NZ-OE1 3.25Å; K520-E529 PolarHBondContact NZ-OE1 3.19Å; K520-E529 IonicContact NZ-OE2 3.46Å; K520-E529 PolarHBondContact NZ-OE2 2.9Å; I522-E529 HydrophobicContact CG2-CB 3.96Å; I522-E529 HydrophobicContact CG2-CG 4.17Å
530	F	90.5	Very high	87.8	Confident	32 Å²	32	80.9 Å²	80.9	14%	0.14	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.4	-176.6	-65.2	-82.5	0	0	0	110.7	I521 C523 I528 S532 A535 L536 H539	I521-F530 HydrophobicContact CG2-CB 4.44Å; I521-F530 PolarHBondContact O-N 3.17Å; C523-F530 HydrophobicContact CB-CE2 3.85Å; I528-F530 HydrophobicContact CB-CE2 3.85Å; I528-F530 HydrophobicContact CB-CZ 3.81Å; I528-F530 HydrophobicContact CG2-CE1 4.07Å; I528-F530 HydrophobicContact CG2-CE2 3.91Å; I528-F530 HydrophobicContact CG2-CZ 3.57Å; I528-F530 WeakPolarHBondContact O-CD2 3.48Å; I528-F530 WeakPolarHBondContact O-CE2 3.25Å; F530-S532 PolarHBondContact O-N 3.16Å; F530-A535 HydrophobicContact CB-CB 4.17Å; F530-A535 HydrophobicContact CD1-CB 3.93Å; F530-A535 HydrophobicContact CG-CB 4.47Å; F530-L536 HydrophobicContact CB-CB 4.04Å; F530-L536 HydrophobicContact CD2-CB 3.88Å; F530-L536 HydrophobicContact CD2-CD1 3.52Å; F530-L536 HydrophobicContact CD2-CG 4.3Å; F530-L536 HydrophobicContact CE2-CD1 3.67Å; F530-L536 HydrophobicContact CG-CB 3.94Å; F530-L536 HydrophobicContact CG-CD1 4.41Å; F530-H539 HydrophobicContact CD1-CB 4.29Å; F530-H539 HydrophobicContact CE1-CB 3.34Å; F530-H539 AromaticContact CE1-CG 3.73Å; F530-H539 HydrophobicContact CE2-CB 4.1Å; F530-H539 AromaticContact CE2-CD2 3.74Å; F530-H539 AromaticContact CE2-CG 3.87Å; F530-H539 HydrophobicContact CZ-CB 3.24Å; F530-H539 AromaticContact CZ-CD2 3.44Å; F530-H539 VanDerWaalsContact CZ-CD2 3.44Å; F530-H539 WeakPolarHBondContact CZ-CD2 3.23Å; F530-H539 AromaticContact CZ-CG 3.09Å; F530-H539 AromaticContact CZ-ND1 3.58Å
531	Q	85.2	Confident	88.3	Confident	202 Å²	202	83.2 Å²	83.2	94%	0.944	41%	0.411	S	S	*	.	S	Bend	trans	-69.2	-18.5	179.8	-63.7	176.3	2.3	0	0	113.5
532	S	85.7	Confident	88.5	Confident	53 Å²	53	88.3 Å²	88.3	37%	0.371	43%	0.433	S	S	.	.	S	Bend	trans	-145.5	153.7	176.5	74.1	0	0	0	0	111.8	F530 N534 A535 L536	F530-S532 PolarHBondContact O-N 3.16Å; S532-N534 PolarHBondContact O-N 3.37Å; S532-A535 PolarHBondContact O-N 2.85Å; S532-A535 VanDerWaalsContact O-N 3.08Å; S532-A535 PolarHBondContact OG-N 2.87Å; S532-A535 VanDerWaalsContact OG-N 3.08Å; S532-L536 PolarHBondContact O-N 3.47Å; S532-L536 VanDerWaalsContact O-N 3.08Å
533	R	87.3	Confident	88.5	Confident	170 Å²	170	87.1 Å²	87.1	64%	0.642	43%	0.431	S	S	*	.	H	α-helix	trans	-56.5	-31.5	172.1	-170	-178	178.2	86.5	1.6	111.7	I521 L536 F537	I521-R533 HydrophobicContact CD1-CB 4.34Å; R533-L536 PolarHBondContact O-N 2.83Å; R533-F537 HydrophobicContact CG-CD2 3.9Å; R533-F537 HydrophobicContact CG-CE2 3.58Å; R533-F537 WeakPolarHBondContact O-CD2 3.37Å; R533-F537 PolarHBondContact O-N 3.42Å
534	N	86.2	Confident	88.3	Confident	93 Å²	93	90 Å²	90	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-70.4	-39.1	178.7	-142.9	26.5	0	0	0	111.5	S532 F537 I538	S532-N534 PolarHBondContact O-N 3.37Å; N534-F537 PolarHBondContact O-N 3.42Å; N534-I538 WeakPolarHBondContact O-CG1 3.25Å; N534-I538 PolarHBondContact O-N 3.49Å
535	A	89	Confident	88.6	Confident	32 Å²	32	86.2 Å²	86.2	26%	0.264	44%	0.439	S	S	.	.	H	α-helix	trans	-64.9	-41.4	173	0	0	0	0	0	111.9	F530 S532 F537 I538 H539	F530-A535 HydrophobicContact CB-CB 4.17Å; F530-A535 HydrophobicContact CD1-CB 3.93Å; F530-A535 HydrophobicContact CG-CB 4.47Å; S532-A535 PolarHBondContact O-N 2.85Å; S532-A535 VanDerWaalsContact O-N 3.08Å; S532-A535 PolarHBondContact OG-N 2.87Å; S532-A535 VanDerWaalsContact OG-N 3.08Å; A535-F537 VanDerWaalsContact C-N 3.32Å; A535-F537 PolarHBondContact O-N 3.08Å; A535-I538 PolarHBondContact O-N 2.91Å; A535-H539 PolarHBondContact O-N 3.43Å
536	L	89.4	Confident	88.4	Confident	24 Å²	24	86.6 Å²	86.6	13%	0.126	45%	0.449	C	S	.	.	H	α-helix	trans	-59.4	-42.6	171.2	175.4	65.7	0	0	0	111.3	I521 C523 F530 S532 R533 H539 L540	I521-L536 HydrophobicContact CG2-CB 3.78Å; I521-L536 HydrophobicContact CG2-CD2 3.5Å; I521-L536 HydrophobicContact CG2-CG 4.19Å; C523-L536 HydrophobicContact CB-CD1 3.82Å; F530-L536 HydrophobicContact CB-CB 4.04Å; F530-L536 HydrophobicContact CD2-CB 3.88Å; F530-L536 HydrophobicContact CD2-CD1 3.52Å; F530-L536 HydrophobicContact CD2-CG 4.3Å; F530-L536 HydrophobicContact CE2-CD1 3.67Å; F530-L536 HydrophobicContact CG-CB 3.94Å; F530-L536 HydrophobicContact CG-CD1 4.41Å; S532-L536 PolarHBondContact O-N 3.47Å; S532-L536 VanDerWaalsContact O-N 3.08Å; R533-L536 PolarHBondContact O-N 2.83Å; L536-H539 PolarHBondContact O-N 2.87Å; L536-L540 HydrophobicContact CD1-CD1 4.17Å; L536-L540 HydrophobicContact CD1-CG 4.03Å; L536-L540 HydrophobicContact CD2-CD1 4.34Å; L536-L540 HydrophobicContact CG-CD1 3.84Å; L536-L540 HydrophobicContact CG-CG 4.18Å; L536-L540 WeakPolarHBondContact O-CB 3.3Å; L536-L540 WeakPolarHBondContact O-CG 3.3Å; L536-L540 PolarHBondContact O-N 2.83Å
537	F	90.3	Very high	87.6	Confident	97 Å²	97	93.3 Å²	93.3	43%	0.425	47%	0.474	S	S	.	.	H	α-helix	trans	-66	-37.6	177.8	-82.8	-59.6	0	0	0	113.6	R533 N534 A535 L540 K541	R533-F537 HydrophobicContact CG-CD2 3.9Å; R533-F537 HydrophobicContact CG-CE2 3.58Å; R533-F537 WeakPolarHBondContact O-CD2 3.37Å; R533-F537 PolarHBondContact O-N 3.42Å; N534-F537 PolarHBondContact O-N 3.42Å; A535-F537 VanDerWaalsContact C-N 3.32Å; A535-F537 PolarHBondContact O-N 3.08Å; F537-L540 HydrophobicContact CD1-CD1 4.29Å; F537-L540 PolarHBondContact O-N 3.29Å; F537-K541 WeakPolarHBondContact O-CB 3.37Å; F537-K541 PolarHBondContact O-N 3.36Å
538	I	89	Confident	86.8	Confident	88 Å²	88	94.3 Å²	94.3	45%	0.451	49%	0.485	S	S	.	.	H	α-helix	trans	-62.8	-47.4	173.6	-68.4	166.6	0	0	0	109.3	N534 A535 K541 Q542	N534-I538 WeakPolarHBondContact O-CG1 3.25Å; N534-I538 PolarHBondContact O-N 3.49Å; A535-I538 PolarHBondContact O-N 2.91Å; I538-K541 PolarHBondContact O-N 3.39Å; I538-Q542 HydrophobicContact CG2-CG 4.45Å; I538-Q542 WeakPolarHBondContact O-CG 3.46Å; I538-Q542 PolarHBondContact O-N 3.03Å
539	H	91.2	Very high	86	Confident	27 Å²	27	99.5 Å²	99.5	13%	0.125	50%	0.504	C	S	.	.	H	α-helix	trans	-60.1	-47.4	175.4	169.4	80.1	0	0	0	112.5	C523 C526 F530 A535 L536 K541 Q542 S543 H545	C523-H539 PolarHBondContact SG-NE2 2.92Å; C523-H539 VanDerWaalsContact SG-NE2 3.37Å; C526-H539 PolarHBondContact SG-CE1 3.44Å; C526-H539 PolarHBondContact SG-NE2 3.12Å; F530-H539 HydrophobicContact CD1-CB 4.29Å; F530-H539 HydrophobicContact CE1-CB 3.34Å; F530-H539 AromaticContact CE1-CG 3.73Å; F530-H539 HydrophobicContact CE2-CB 4.1Å; F530-H539 AromaticContact CE2-CD2 3.74Å; F530-H539 AromaticContact CE2-CG 3.87Å; F530-H539 HydrophobicContact CZ-CB 3.24Å; F530-H539 AromaticContact CZ-CD2 3.44Å; F530-H539 VanDerWaalsContact CZ-CD2 3.44Å; F530-H539 WeakPolarHBondContact CZ-CD2 3.23Å; F530-H539 AromaticContact CZ-CG 3.09Å; F530-H539 AromaticContact CZ-ND1 3.58Å; A535-H539 PolarHBondContact O-N 3.43Å; L536-H539 PolarHBondContact O-N 2.87Å; H539-K541 PolarHBondContact O-N 2.96Å; H539-Q542 PolarHBondContact O-N 2.97Å; H539-Q542 VanDerWaalsContact O-N 3.17Å; H539-S543 PolarHBondContact NE2-OG 3.35Å; H539-S543 WeakPolarHBondContact O-CB 3.4Å; H539-S543 PolarHBondContact O-N 3.02Å; H539-S543 PolarHBondContact O-OG 2.72Å; H539-H545 AromaticContact CE1-ND1 3.62Å; H539-H545 AromaticContact NE2-CE1 3.84Å; H539-H545 AromaticContact NE2-ND1 3.05Å; H539-H545 PolarHBondContact NE2-ND1 3.21Å
540	L	91.9	Very high	84.5	Confident	35 Å²	35	104 Å²	104	18%	0.183	52%	0.522	C	S	.	.	H	α-helix	trans	-59.6	-34.4	178.1	-73.2	169.6	0	0	0	112	L536 F537 G544 H545	L536-L540 HydrophobicContact CD1-CD1 4.17Å; L536-L540 HydrophobicContact CD1-CG 4.03Å; L536-L540 HydrophobicContact CD2-CD1 4.34Å; L536-L540 HydrophobicContact CG-CD1 3.84Å; L536-L540 HydrophobicContact CG-CG 4.18Å; L536-L540 WeakPolarHBondContact O-CB 3.3Å; L536-L540 WeakPolarHBondContact O-CG 3.3Å; L536-L540 PolarHBondContact O-N 2.83Å; F537-L540 HydrophobicContact CD1-CD1 4.29Å; F537-L540 PolarHBondContact O-N 3.29Å; L540-G544 PolarHBondContact O-N 3.28Å; L540-H545 HydrophobicContact CD2-CB 3.87Å; L540-H545 WeakPolarHBondContact CD2-O 3.18Å
541	K	89.2	Confident	82.3	Confident	189 Å²	189	109.9 Å²	109.9	82%	0.822	55%	0.554	S	S	*	*	H	α-helix	trans	-72.7	-40.4	174.6	-83.9	-174.1	175.1	-175.4	0	113	F537 I538 H539	F537-K541 WeakPolarHBondContact O-CB 3.37Å; F537-K541 PolarHBondContact O-N 3.36Å; I538-K541 PolarHBondContact O-N 3.39Å; H539-K541 PolarHBondContact O-N 2.96Å
542	Q	89.7	Confident	80.3	Confident	162 Å²	162	108 Å²	108	76%	0.757	55%	0.55	S	S	*	*	H	α-helix	trans	-77.7	-39.8	-177.7	-73.2	175.3	-21.2	0	0	112.8	I538 H539	I538-Q542 HydrophobicContact CG2-CG 4.45Å; I538-Q542 WeakPolarHBondContact O-CG 3.46Å; I538-Q542 PolarHBondContact O-N 3.03Å; H539-Q542 PolarHBondContact O-N 2.97Å; H539-Q542 VanDerWaalsContact O-N 3.17Å
543	S	87.9	Confident	78.3	Confident	43 Å²	43	112.4 Å²	112.4	30%	0.301	57%	0.568	S	S	.	*	H	α-helix	trans	-87.5	-14.2	-177.6	61.3	0	0	0	0	114.2	H539 H545	H539-S543 PolarHBondContact NE2-OG 3.35Å; H539-S543 WeakPolarHBondContact O-CB 3.4Å; H539-S543 PolarHBondContact O-N 3.02Å; H539-S543 PolarHBondContact O-OG 2.72Å; S543-H545 WeakPolarHBondContact CB-ND1 3.45Å; S543-H545 PolarHBondContact O-CD2 3.35Å; S543-H545 PolarHBondContact O-N 3.23Å; S543-H545 WeakPolarHBondContact OG-CB 3.43Å; S543-H545 PolarHBondContact OG-N 3.18Å; S543-H545 PolarHBondContact OG-ND1 3.32Å; S543-H545 VanDerWaalsContact OG-ND1 3.12Å
544	G	86.8	Confident	76	Confident	61 Å²	61	110.2 Å²	110.2	63%	0.629	58%	0.576	S	S	*	*			trans	70.2	13.5	-173.7	0	0	0	0	0	114.2	L540 A546	L540-G544 PolarHBondContact O-N 3.28Å; G544-A546 PolarHBondContact O-N 2.96Å
545	H	89.4	Confident	73.6	Confident	50 Å²	50	111.1 Å²	111.1	23%	0.231	59%	0.59	C	S	.	*			trans	-73.3	12.7	-177.3	-68.9	166.1	0	0	0	115.5	C523 T525 C526 H539 L540 S543 K547	C523-H545 VanDerWaalsContact SG-CB 3.55Å; C523-H545 PolarHBondContact SG-ND1 3.29Å; C523-H545 VanDerWaalsContact SG-ND1 3.44Å; T525-H545 VanDerWaalsContact CB-CG 3.5Å; T525-H545 HydrophobicContact CG2-CB 4.36Å; T525-H545 PolarHBondContact OG1-O 2.93Å; C526-H545 VanDerWaalsContact CB-CE1 3.43Å; C526-H545 WeakPolarHBondContact CB-CE1 3.31Å; C526-H545 PolarHBondContact SG-ND1 2.94Å; H539-H545 AromaticContact CE1-ND1 3.62Å; H539-H545 AromaticContact NE2-CE1 3.84Å; H539-H545 AromaticContact NE2-ND1 3.05Å; H539-H545 PolarHBondContact NE2-ND1 3.21Å; L540-H545 HydrophobicContact CD2-CB 3.87Å; L540-H545 WeakPolarHBondContact CD2-O 3.18Å; S543-H545 WeakPolarHBondContact CB-ND1 3.45Å; S543-H545 PolarHBondContact O-CD2 3.35Å; S543-H545 PolarHBondContact O-N 3.23Å; S543-H545 WeakPolarHBondContact OG-CB 3.43Å; S543-H545 PolarHBondContact OG-N 3.18Å; S543-H545 PolarHBondContact OG-ND1 3.32Å; S543-H545 VanDerWaalsContact OG-ND1 3.12Å; H545-K547 PolarHBondContact O-N 3.25Å
546	A	83.1	Confident	71.3	Confident	80 Å²	80	115.2 Å²	115.2	66%	0.661	62%	0.617	S	S	*	*			trans	-72.4	113.8	-178.8	0	0	0	0	0	112.1	G544	G544-A546 PolarHBondContact O-N 2.96Å
547	K	74.7	Confident	68.8	Low	183 Å²	183	119.1 Å²	119.1	80%	0.796	65%	0.646	S	S	*	*			trans	-105.6	134.7	178.9	-153.2	170.8	-173.4	173.7	0	111.5	H545 K549	H545-K547 PolarHBondContact O-N 3.25Å; K547-K549 PolarHBondContact O-N 2.89Å
548	L	69.1	Low	66.3	Low	169 Å²	169	119.6 Å²	119.6	89%	0.885	66%	0.661	S	S	*	*			trans	-65.5	118.8	175.6	-81.4	156.5	0	0	0	110.4	K550	L548-K550 PolarHBondContact O-N 3.42Å
549	K	70.1	Confident	63.9	Low	194 Å²	194	120.1 Å²	120.1	84%	0.843	67%	0.673	S	S	*	*			trans	-71.3	107.4	175.1	-156.1	174.9	-171.8	179	0	108.9	K547 L551	K547-K549 PolarHBondContact O-N 2.89Å; K549-L551 PolarHBondContact O-N 3.09Å; K549-L551 VanDerWaalsContact O-N 3.17Å
550	K	58.5	Low	61.3	Low	200 Å²	200	124.9 Å²	124.9	87%	0.87	70%	0.704	S	S	*	*			trans	-65.3	112.4	170.3	-69.2	-175.4	179.6	-178.5	0	108.1	L548 N552	L548-K550 PolarHBondContact O-N 3.42Å; K550-N552 PolarHBondContact O-N 2.82Å
551	L	44.2	Very low	58.7	Low	155 Å²	155	128.9 Å²	128.9	81%	0.812	73%	0.73	S	S	*	*			trans	-72.3	106.5	169.8	-72.7	170.5	0	0	0	108.2	K549 I553	K549-L551 PolarHBondContact O-N 3.09Å; K549-L551 VanDerWaalsContact O-N 3.17Å; L551-I553 PolarHBondContact O-N 3.04Å
552	N	43.2	Very low	56.4	Low	162 Å²	162	125.9 Å²	125.9	87%	0.866	73%	0.727	S	S	*	*			trans	-70.1	106.2	165.2	-103.7	1.4	0	0	0	108.1	K550	K550-N552 PolarHBondContact O-N 2.82Å
553	I	43.3	Very low	53.8	Low	146 Å²	146	125.5 Å²	125.5	75%	0.749	73%	0.731	S	S	*	*			trans	-89	119	164.1	-57.3	170	0	0	0	105.9	L551 S555	L551-I553 PolarHBondContact O-N 3.04Å; I553-S555 PolarHBondContact O-N 2.96Å
554	P	40.6	Very low	51.7	Low	125 Å²	125	131.5 Å²	131.5	81%	0.812	76%	0.759	S	S	*	*			trans	-72.5	112.8	179.1	28.7	-31.2	0	0	0	109.6
555	S	35	Very low	49.4	Very low	111 Å²	111	137.6 Å²	137.6	78%	0.776	77%	0.769	S	S	*	*			trans	-104.5	103.6	165.9	51.3	0	0	0	0	108.8	I553	I553-S555 PolarHBondContact O-N 2.96Å
556	S	39.9	Very low	47.1	Very low	119 Å²	119	143.1 Å²	143.1	83%	0.832	80%	0.8	S	S	*	*			trans	-92	100.4	167.9	53.4	0	0	0	0	109.8
557	S	37.8	Very low	45	Very low	106 Å²	106	144.2 Å²	144.2	74%	0.741	80%	0.8	S	S	*	*			trans	-49.1	148.5	147.3	47.8	0	0	0	0	110.6
558	S	38.2	Very low	43.3	Very low	107 Å²	107	145.8 Å²	145.8	75%	0.748	81%	0.808	S	S	*	*				178	153.3	68.8	47.6	0	0	0	0	106.2
559	S	37.6	Very low	41.8	Very low	98 Å²	98	145.1 Å²	145.1	69%	0.685	81%	0.805	S	S	*	*				179.8	139.7	54	39.4	0	0	0	0	111.2
560	T	36.7	Very low	40.4	Very low	127 Å²	127	144.2 Å²	144.2	78%	0.779	80%	0.804	S	S	*	*			trans	62.4	130.7	146.7	30	0	0	0	0	119.6
561	T	38	Very low	39.7	Very low	119 Å²	119	141.7 Å²	141.7	73%	0.73	80%	0.799	S	S	*	*			cis	-163.8	146.5	43.3	6.2	0	0	0	0	113.3
562	T	40.1	Very low	39.9	Very low	126 Å²	126	144 Å²	144	77%	0.773	80%	0.803	S	S	*	*			trans	69.3	94.2	146.7	60.4	0	0	0	0	123
563	N	35.9	Very low	40.2	Very low	155 Å²	155	146 Å²	146	83%	0.829	80%	0.804	S	S	*	*			trans	5.1	127.3	134.1	-63.7	-29.4	0	0	0	120.8
564	N	42.8	Very low	40.5	Very low	168 Å²	168	147.4 Å²	147.4	90%	0.898	81%	0.805	S	S	*	*				-160	145.9	114.7	-103.1	-28.3	0	0	0	112.2
565	K	38.6	Very low	41	Very low	190 Å²	190	153 Å²	153	83%	0.826	81%	0.81	S	S	*	*			trans	-72	145	-165.6	-67.2	165	173.7	171.2	0	113.7
566	D	41.9	Very low	41.6	Very low	165 Å²	165	157.6 Å²	157.6	88%	0.882	82%	0.815	S	S	*	*				-169	140.4	127.9	-96.5	-28.5	0	0	0	112.4
567	P	38.4	Very low	42.2	Very low	103 Å²	103	160.3 Å²	160.3	67%	0.669	82%	0.815	S	S	*	*			trans	-110.9	119.9	-172.1	35.6	-21.5	0	0	0	112.8
568	F	39.2	Very low	42.9	Very low	217 Å²	217	166.4 Å²	166.4	95%	0.952	82%	0.822	S	S	*	*			trans	-154.6	94.8	158.4	-101.5	-79.6	0	0	0	110.3
569	N	37.7	Very low	43.6	Very low	154 Å²	154	171.5 Å²	171.5	82%	0.824	83%	0.831	S	S	*	*			trans	-131.7	85.4	166.2	-173.6	17.3	0	0	0	109.1
570	E	42.1	Very low	44.4	Very low	176 Å²	176	176.6 Å²	176.6	82%	0.822	84%	0.84	S	S	*	*			trans	-151.5	59	169.4	-152	179	-160	0	0	110.5
571	N	43.1	Very low	44.9	Very low	146 Å²	146	176.1 Å²	176.1	78%	0.781	84%	0.842	S	S	*	*			trans	-157.8	66.2	172.4	-93.9	-37.7	0	0	0	112.6
572	K	47.3	Very low	45.6	Very low	203 Å²	203	183.9 Å²	183.9	88%	0.883	87%	0.866	S	S	*	*	S	Bend	trans	-137.2	5.3	166.6	-133	171.7	-175.4	172.3	0	116.2
573	K	49.4	Very low	45.9	Very low	206 Å²	206	186.8 Å²	186.8	90%	0.896	87%	0.871	S	S	*	*	S	Bend	trans	-100.3	-7.8	176.1	-115.8	177.5	178.9	179.5	0	115.7
574	K	50.8	Low	46.4	Very low	175 Å²	175	188.5 Å²	188.5	76%	0.761	87%	0.873	S	S	*	*	S	Bend	trans	-95	8	-175.2	-84.5	-179.1	175.8	173.1	0	117.1
575	R	49.9	Very low	46.6	Very low	243 Å²	243	189.6 Å²	189.6	92%	0.917	87%	0.871	S	S	*	*	S	Bend	trans	-100.6	6.4	-172.6	-147.6	170.3	171.8	169.3	-3.2	116.2
576	K	49.4	Very low	47.1	Very low	206 Å²	206	189.6 Å²	189.6	90%	0.896	87%	0.874	S	S	*	*	S	Bend	trans	-112.8	-5.9	177.2	-94.3	-175.4	175.4	-178.7	0	116.7
577	E	52	Low	47.4	Very low	177 Å²	177	191.1 Å²	191.1	83%	0.827	87%	0.873	S	S	*	*	S	Bend	trans	-105.8	-6.8	179.9	-74.7	179.9	150.8	0	0	115	K579	E577-K579 VanDerWaalsContact C-N 3.34Å; E577-K579 PolarHBondContact O-N 3.46Å
578	R	51.8	Low	48	Very low	234 Å²	234	197 Å²	197	88%	0.883	89%	0.887	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	16.8	-176.2	-100	-178.7	159.2	-169.1	-5.8	116.5
579	K	52.9	Low	48.6	Very low	214 Å²	214	195.6 Å²	195.6	93%	0.93	88%	0.882	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	13.6	175.8	-89.7	-169.1	174.6	-172.7	0	114.7	E577	E577-K579 VanDerWaalsContact C-N 3.34Å; E577-K579 PolarHBondContact O-N 3.46Å
580	K	55.6	Low	49.4	Very low	204 Å²	204	198.8 Å²	198.8	89%	0.887	89%	0.887	S	S	*	*	S	Bend	trans	-123.8	13.9	-179.1	-118.9	-179.7	-179.4	-175.6	0	115.2
581	S	46.6	Very low	50.1	Low	117 Å²	117	200.7 Å²	200.7	82%	0.818	89%	0.892	S	S	*	*			trans	-151.3	79.7	172.8	-151.6	0	0	0	0	109.5
582	K	52	Low	50.7	Low	283 Å²	283	205.6 Å²	205.6	100%	1.23	90%	0.903	S	S	*	*			trans	-162.6	0	153	-122.3	-174.3	-177.3	-171.8	0	108.1

Retrieved 582 of 582 residues in 221 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).