A0A3Q0KTD2_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTD2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 734 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.6	Very low	54.6	Low	102 Å²	102	44.1 Å²	44.1	50%	0.502	23%	0.23	S	C	.	.				0	-56.4	0	-151.3	-125.2	-95.9	0	0	115.2	L3 L4 R5 L133	M1-L3 PolarHBondContact O-N 3.35Å; M1-L4 WeakPolarHBondContact O-CB 3.28Å; M1-L4 PolarHBondContact O-N 3.21Å; M1-R5 PolarHBondContact O-N 3.5Å; M1-R5 VanDerWaalsContact O-N 3.09Å; M1-R5 VanDerWaalsContact SD-CZ 3.54Å; M1-L133 HydrophobicContact CB-CD2 3.77Å
2	F	51.8	Low	55.3	Low	22 Å²	22	45.1 Å²	45.1	10%	0.096	24%	0.239	C	C	.	.	H	α-helix	trans	-57.7	-50.2	177.8	167.2	-101.4	0	0	0	113	L4 R5 I6 Y547 L548 H551	F2-L4 VanDerWaalsContact C-N 3.35Å; F2-L4 PolarHBondContact O-N 3.16Å; F2-R5 PolarHBondContact O-N 3Å; F2-I6 HydrophobicContact CD1-CD1 4.41Å; F2-I6 HydrophobicContact CD2-CD1 4.28Å; F2-I6 HydrophobicContact CE1-CD1 3.7Å; F2-I6 HydrophobicContact CE2-CD1 3.55Å; F2-I6 HydrophobicContact CE2-CG1 4.47Å; F2-I6 HydrophobicContact CZ-CD1 3.2Å; F2-I6 HydrophobicContact CZ-CG1 4.46Å; F2-I6 PolarHBondContact O-N 3.14Å; F2-Y547 HydrophobicContact CD2-CE1 4.29Å; F2-Y547 HydrophobicContact CE2-CE1 4.31Å; F2-L548 HydrophobicContact CD2-CD2 3.75Å; F2-L548 HydrophobicContact CE2-CD2 4.01Å; F2-H551 HydrophobicContact CE2-CB 4Å; F2-H551 AromaticContact CE2-CG 3.67Å; F2-H551 AromaticContact CE2-ND1 3.64Å; F2-H551 HydrophobicContact CZ-CB 3.81Å; F2-H551 AromaticContact CZ-CD2 3.5Å; F2-H551 AromaticContact CZ-CG 3.41Å; F2-H551 VanDerWaalsContact CZ-CG 3.41Å; F2-H551 AromaticContact CZ-ND1 3.77Å; F2-H551 AromaticContact CZ-NE2 3.91Å
3	L	55.3	Low	54.8	Low	62 Å²	62	43.7 Å²	43.7	33%	0.325	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-37.1	177.8	-65.5	170.5	0	0	0	112.2	M1 R5 I6 A7 L430 L730	M1-L3 PolarHBondContact O-N 3.35Å; L3-R5 PolarHBondContact O-N 3.31Å; L3-I6 PolarHBondContact O-N 2.81Å; L3-A7 WeakPolarHBondContact O-CB 3.44Å; L3-A7 PolarHBondContact O-N 2.94Å; L3-L430 HydrophobicContact CD2-CD1 4.23Å; L3-L430 HydrophobicContact CD2-CD2 4.26Å; L3-L730 HydrophobicContact CD1-CD1 4.01Å; L3-L730 HydrophobicContact CD1-CD2 4.04Å
4	L	57.5	Low	54.9	Low	44 Å²	44	50 Å²	50	23%	0.23	26%	0.263	C	S	.	.	H	α-helix	trans	-54.7	-51.3	171.9	-72.6	172.3	0	0	0	111.5	M1 F2 I6 A7 E8 F731 A734	M1-L4 WeakPolarHBondContact O-CB 3.28Å; M1-L4 PolarHBondContact O-N 3.21Å; F2-L4 VanDerWaalsContact C-N 3.35Å; F2-L4 PolarHBondContact O-N 3.16Å; L4-I6 VanDerWaalsContact C-N 3.27Å; L4-I6 PolarHBondContact O-N 3.35Å; L4-A7 PolarHBondContact O-N 3.19Å; L4-E8 VanDerWaalsContact O-CB 3.32Å; L4-E8 WeakPolarHBondContact O-CB 3.45Å; L4-E8 PolarHBondContact O-N 3.11Å; L4-F731 HydrophobicContact CD2-CD1 3.34Å; L4-F731 HydrophobicContact CD2-CE1 3.38Å; L4-F731 HydrophobicContact CD2-CG 4.42Å; L4-F731 HydrophobicContact CD2-CZ 4.47Å; L4-A734 HydrophobicContact CD1-CB 3.79Å; L4-A734 HydrophobicContact CD2-CB 4.18Å; L4-A734 HydrophobicContact CG-CB 3.97Å
5	R	54.8	Low	54.8	Low	10 Å²	10	54.7 Å²	54.7	4%	0.038	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-33.3	-179.7	-72.3	-178.7	-179.7	-174.8	0.8	113.2	M1 F2 L3 A9 S574 M577 N578	M1-R5 PolarHBondContact O-N 3.5Å; M1-R5 VanDerWaalsContact O-N 3.09Å; M1-R5 VanDerWaalsContact SD-CZ 3.54Å; F2-R5 PolarHBondContact O-N 3Å; L3-R5 PolarHBondContact O-N 3.31Å; R5-A9 VanDerWaalsContact O-CB 3.27Å; R5-A9 WeakPolarHBondContact O-CB 3.29Å; R5-A9 PolarHBondContact O-N 2.93Å; R5-S574 PolarHBondContact NH1-OG 3.04Å; R5-M577 HydrophobicContact CG-SD 3.6Å; R5-M577 PolarHBondContact NE-SD 3.27Å; R5-M577 VanDerWaalsContact NE-SD 3.4Å; R5-N578 PolarHBondContact NH2-OD1 3.28Å
6	I	57.9	Low	54.9	Low	4 Å²	4	54 Å²	54	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-75.9	-42.7	175.6	-71.3	176.5	0	0	0	110.5	F2 L3 L4 A9 L10 H551 L555	F2-I6 HydrophobicContact CD1-CD1 4.41Å; F2-I6 HydrophobicContact CD2-CD1 4.28Å; F2-I6 HydrophobicContact CE1-CD1 3.7Å; F2-I6 HydrophobicContact CE2-CD1 3.55Å; F2-I6 HydrophobicContact CE2-CG1 4.47Å; F2-I6 HydrophobicContact CZ-CD1 3.2Å; F2-I6 HydrophobicContact CZ-CG1 4.46Å; F2-I6 PolarHBondContact O-N 3.14Å; L3-I6 PolarHBondContact O-N 2.81Å; L4-I6 VanDerWaalsContact C-N 3.27Å; L4-I6 PolarHBondContact O-N 3.35Å; I6-A9 PolarHBondContact O-N 2.88Å; I6-L10 HydrophobicContact CG2-CD1 3.83Å; I6-L10 HydrophobicContact CG2-CG 4.27Å; I6-L10 WeakPolarHBondContact O-CB 3.44Å; I6-L10 VanDerWaalsContact O-CG 3.26Å; I6-L10 WeakPolarHBondContact O-CG 3.4Å; I6-L10 PolarHBondContact O-N 3.42Å; I6-H551 HydrophobicContact CD1-CB 4.37Å; I6-L555 HydrophobicContact CD1-CD1 4.11Å; I6-L555 HydrophobicContact CG2-CD1 3.81Å
7	A	52.4	Low	54.9	Low	14 Å²	14	58.8 Å²	58.8	12%	0.116	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-44	178.7	0	0	0	0	0	111.9	L3 L4 A9 L10 V11 F731	L3-A7 WeakPolarHBondContact O-CB 3.44Å; L3-A7 PolarHBondContact O-N 2.94Å; L4-A7 PolarHBondContact O-N 3.19Å; A7-A9 VanDerWaalsContact C-N 3.33Å; A7-A9 PolarHBondContact O-N 2.77Å; A7-L10 PolarHBondContact O-N 3.38Å; A7-V11 WeakPolarHBondContact O-CG2 3.32Å; A7-V11 PolarHBondContact O-N 3.42Å; A7-F731 HydrophobicContact CB-CE1 4.5Å; A7-F731 HydrophobicContact CB-CE2 4.16Å; A7-F731 HydrophobicContact CB-CZ 3.57Å
8	E	54.3	Low	54.6	Low	81 Å²	81	61 Å²	61	38%	0.379	31%	0.314	S	S	.	.	H	α-helix	trans	-58.1	-43.7	172.1	-175.7	-174.6	-176.4	0	0	111.6	L4 L10 T12	L4-E8 VanDerWaalsContact O-CB 3.32Å; L4-E8 WeakPolarHBondContact O-CB 3.45Å; L4-E8 PolarHBondContact O-N 3.11Å; E8-L10 PolarHBondContact O-N 3.07Å; E8-T12 WeakPolarHBondContact O-CB 3.36Å; E8-T12 WeakPolarHBondContact O-CG2 3.36Å; E8-T12 PolarHBondContact O-N 3.29Å; E8-T12 PolarHBondContact O-OG1 2.88Å
9	A	55.4	Low	54.6	Low	0 Å²	0	61 Å²	61	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-70.4	-28.6	176.8	0	0	0	0	0	113.8	R5 I6 A7 T12 S13 L566 N569 V570	R5-A9 VanDerWaalsContact O-CB 3.27Å; R5-A9 WeakPolarHBondContact O-CB 3.29Å; R5-A9 PolarHBondContact O-N 2.93Å; I6-A9 PolarHBondContact O-N 2.88Å; A7-A9 VanDerWaalsContact C-N 3.33Å; A7-A9 PolarHBondContact O-N 2.77Å; A9-T12 WeakPolarHBondContact CA-OG1 3.26Å; A9-T12 PolarHBondContact O-OG1 3.31Å; A9-S13 WeakPolarHBondContact O-CB 3.35Å; A9-S13 PolarHBondContact O-N 2.9Å; A9-S13 VanDerWaalsContact O-N 3.1Å; A9-L566 HydrophobicContact CB-CD1 4.05Å; A9-N569 HydrophobicContact CB-CB 4.38Å; A9-V570 HydrophobicContact CB-CB 4.23Å; A9-V570 HydrophobicContact CB-CG2 3.28Å
10	L	56	Low	54.2	Low	76 Å²	76	64.3 Å²	64.3	40%	0.398	34%	0.341	S	S	.	.	H	α-helix	trans	-74	-46.4	173.4	-74.4	170.6	0	0	0	110.9	I6 A7 E8 S13 E14 L566	I6-L10 HydrophobicContact CG2-CD1 3.83Å; I6-L10 HydrophobicContact CG2-CG 4.27Å; I6-L10 WeakPolarHBondContact O-CB 3.44Å; I6-L10 VanDerWaalsContact O-CG 3.26Å; I6-L10 WeakPolarHBondContact O-CG 3.4Å; I6-L10 PolarHBondContact O-N 3.42Å; A7-L10 PolarHBondContact O-N 3.38Å; E8-L10 PolarHBondContact O-N 3.07Å; L10-S13 CarbonylContact O-C 3.59Å; L10-S13 WeakPolarHBondContact O-CB 3.37Å; L10-S13 PolarHBondContact O-N 2.92Å; L10-S13 VanDerWaalsContact O-N 3.14Å; L10-E14 WeakPolarHBondContact O-CB 3.42Å; L10-E14 PolarHBondContact O-N 3.5Å; L10-L566 HydrophobicContact CD2-CD1 4.18Å; L10-L566 HydrophobicContact CD2-CD2 4.35Å
11	V	61	Low	53.8	Low	70 Å²	70	63.1 Å²	63.1	42%	0.424	34%	0.338	S	S	.	.	H	α-helix	trans	-58.9	-51.5	175.4	170.7	0	0	0	0	110.4	A7 S13 E14 E15	A7-V11 WeakPolarHBondContact O-CG2 3.32Å; A7-V11 PolarHBondContact O-N 3.42Å; V11-S13 PolarHBondContact O-N 3.5Å; V11-E14 PolarHBondContact O-N 2.75Å; V11-E14 VanDerWaalsContact O-N 3.12Å; V11-E15 HydrophobicContact CG1-CG 4.32Å; V11-E15 WeakPolarHBondContact O-CB 3.5Å; V11-E15 WeakPolarHBondContact O-CG 3.49Å; V11-E15 PolarHBondContact O-N 3.49Å
12	T	62.2	Low	54.1	Low	56 Å²	56	62 Å²	62	34%	0.344	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-27.4	176.7	52.3	0	0	0	0	113.2	E8 A9 S16	E8-T12 WeakPolarHBondContact O-CB 3.36Å; E8-T12 WeakPolarHBondContact O-CG2 3.36Å; E8-T12 PolarHBondContact O-N 3.29Å; E8-T12 PolarHBondContact O-OG1 2.88Å; A9-T12 WeakPolarHBondContact CA-OG1 3.26Å; A9-T12 PolarHBondContact O-OG1 3.31Å; T12-S16 VanDerWaalsContact O-CB 3.3Å; T12-S16 WeakPolarHBondContact O-CB 3.39Å; T12-S16 PolarHBondContact O-N 3.08Å; T12-S16 VanDerWaalsContact O-N 3.07Å; T12-S16 PolarHBondContact O-OG 3.35Å
13	S	49.2	Very low	54.1	Low	27 Å²	27	63.3 Å²	63.3	19%	0.189	35%	0.349	C	S	.	.	H	α-helix	trans	-73.4	-41.4	172.4	-168.1	0	0	0	0	112.1	A9 L10 V11 S16 H17	A9-S13 WeakPolarHBondContact O-CB 3.35Å; A9-S13 PolarHBondContact O-N 2.9Å; A9-S13 VanDerWaalsContact O-N 3.1Å; L10-S13 CarbonylContact O-C 3.59Å; L10-S13 WeakPolarHBondContact O-CB 3.37Å; L10-S13 PolarHBondContact O-N 2.92Å; L10-S13 VanDerWaalsContact O-N 3.14Å; V11-S13 PolarHBondContact O-N 3.5Å; S13-S16 PolarHBondContact O-N 3.04Å; S13-S16 PolarHBondContact O-OG 3.43Å; S13-H17 PolarHBondContact O-N 3.01Å
14	E	56.9	Low	53.7	Low	132 Å²	132	63.2 Å²	63.2	62%	0.617	35%	0.354	S	S	*	.	H	α-helix	trans	-67.1	-45.8	177	-172.1	170.9	-177.1	0	0	110.8	L10 V11 S16 H17 M18	L10-E14 WeakPolarHBondContact O-CB 3.42Å; L10-E14 PolarHBondContact O-N 3.5Å; V11-E14 PolarHBondContact O-N 2.75Å; V11-E14 VanDerWaalsContact O-N 3.12Å; E14-S16 VanDerWaalsContact C-N 3.32Å; E14-S16 PolarHBondContact O-N 3.01Å; E14-H17 PolarHBondContact O-N 3.13Å; E14-H17 VanDerWaalsContact O-N 3.11Å; E14-M18 WeakPolarHBondContact O-CG 3.33Å; E14-M18 PolarHBondContact O-N 2.7Å
15	E	52.7	Low	53.5	Low	120 Å²	120	66.7 Å²	66.7	56%	0.561	37%	0.369	S	S	*	.	H	α-helix	trans	-56.1	-43.7	170.8	-72.9	173.5	169.6	0	0	111.7	V11 H17 M18 A19	V11-E15 HydrophobicContact CG1-CG 4.32Å; V11-E15 WeakPolarHBondContact O-CB 3.5Å; V11-E15 WeakPolarHBondContact O-CG 3.49Å; V11-E15 PolarHBondContact O-N 3.49Å; E15-H17 VanDerWaalsContact C-N 3.33Å; E15-H17 PolarHBondContact O-N 3.2Å; E15-M18 PolarHBondContact O-N 3.12Å; E15-A19 VanDerWaalsContact O-CB 3.26Å; E15-A19 WeakPolarHBondContact O-CB 3.27Å; E15-A19 PolarHBondContact O-N 2.84Å
16	S	57.1	Low	53.4	Low	44 Å²	44	71.4 Å²	71.4	31%	0.308	40%	0.395	S	S	.	.	H	α-helix	trans	-66	-34.5	177.1	75.6	0	0	0	0	112.9	T12 S13 E14 L20	T12-S16 VanDerWaalsContact O-CB 3.3Å; T12-S16 WeakPolarHBondContact O-CB 3.39Å; T12-S16 PolarHBondContact O-N 3.08Å; T12-S16 VanDerWaalsContact O-N 3.07Å; T12-S16 PolarHBondContact O-OG 3.35Å; S13-S16 PolarHBondContact O-N 3.04Å; S13-S16 PolarHBondContact O-OG 3.43Å; E14-S16 VanDerWaalsContact C-N 3.32Å; E14-S16 PolarHBondContact O-N 3.01Å; S16-L20 WeakPolarHBondContact O-CB 3.38Å; S16-L20 WeakPolarHBondContact O-CD1 3.17Å; S16-L20 VanDerWaalsContact O-CG 3.27Å; S16-L20 WeakPolarHBondContact O-CG 3.15Å; S16-L20 PolarHBondContact O-N 3.41Å; S16-L20 VanDerWaalsContact O-N 3.1Å
17	H	53.8	Low	52.9	Low	135 Å²	135	78.2 Å²	78.2	63%	0.625	43%	0.426	S	S	*	.	H	α-helix	trans	-73	-40.6	176.9	-166.3	-73.9	0	0	0	111.4	S13 E14 E15 L20 S21	S13-H17 PolarHBondContact O-N 3.01Å; E14-H17 PolarHBondContact O-N 3.13Å; E14-H17 VanDerWaalsContact O-N 3.11Å; E15-H17 VanDerWaalsContact C-N 3.33Å; E15-H17 PolarHBondContact O-N 3.2Å; H17-L20 PolarHBondContact O-N 3Å; H17-S21 WeakPolarHBondContact O-CB 3.16Å; H17-S21 PolarHBondContact O-N 2.84Å
18	M	50.7	Low	52.8	Low	99 Å²	99	81.2 Å²	81.2	49%	0.488	44%	0.444	S	S	.	.	H	α-helix	trans	-66.1	-40.5	174.3	-69.6	-62.1	-65.3	0	0	111.8	E14 E15 L20 S21 N22	E14-M18 WeakPolarHBondContact O-CG 3.33Å; E14-M18 PolarHBondContact O-N 2.7Å; E15-M18 PolarHBondContact O-N 3.12Å; M18-L20 PolarHBondContact O-N 3.44Å; M18-S21 PolarHBondContact O-N 3.45Å; M18-N22 WeakPolarHBondContact O-CB 3.48Å; M18-N22 PolarHBondContact O-N 3.11Å; M18-N22 PolarHBondContact O-OD1 2.99Å
19	A	53.5	Low	52.4	Low	61 Å²	61	79.6 Å²	79.6	50%	0.504	44%	0.444	S	S	.	.	H	α-helix	trans	-62.7	-41.3	175.4	0	0	0	0	0	112.2	E15 A23	E15-A19 VanDerWaalsContact O-CB 3.26Å; E15-A19 WeakPolarHBondContact O-CB 3.27Å; E15-A19 PolarHBondContact O-N 2.84Å; A19-A23 WeakPolarHBondContact O-CB 3.39Å; A19-A23 PolarHBondContact O-N 3.38Å
20	L	47	Very low	52	Low	127 Å²	127	86.1 Å²	86.1	67%	0.665	48%	0.475	S	S	*	.	H	α-helix	trans	-68	-40	174.2	-72.1	168.4	0	0	0	112.2	S16 H17 M18 A23 S24	S16-L20 WeakPolarHBondContact O-CB 3.38Å; S16-L20 WeakPolarHBondContact O-CD1 3.17Å; S16-L20 VanDerWaalsContact O-CG 3.27Å; S16-L20 WeakPolarHBondContact O-CG 3.15Å; S16-L20 PolarHBondContact O-N 3.41Å; S16-L20 VanDerWaalsContact O-N 3.1Å; H17-L20 PolarHBondContact O-N 3Å; M18-L20 PolarHBondContact O-N 3.44Å; L20-A23 PolarHBondContact O-N 3.37Å; L20-S24 PolarHBondContact O-N 3.29Å; L20-S24 PolarHBondContact O-OG 3.1Å
21	S	46.6	Very low	51.3	Low	39 Å²	39	86.5 Å²	86.5	27%	0.273	48%	0.483	S	S	.	.	H	α-helix	trans	-60.4	-52.4	175.3	-160.2	0	0	0	0	111	H17 M18 A23 S24 E25	H17-S21 WeakPolarHBondContact O-CB 3.16Å; H17-S21 PolarHBondContact O-N 2.84Å; M18-S21 PolarHBondContact O-N 3.45Å; S21-A23 VanDerWaalsContact C-N 3.3Å; S21-A23 PolarHBondContact O-N 3.07Å; S21-S24 PolarHBondContact O-N 3.24Å; S21-S24 VanDerWaalsContact O-N 3.08Å; S21-S24 PolarHBondContact O-OG 3.07Å; S21-E25 PolarHBondContact O-N 3.47Å
22	N	50.6	Low	50.7	Low	79 Å²	79	87.7 Å²	87.7	42%	0.422	49%	0.49	S	S	.	.	H	α-helix	trans	-64	-33.5	-179.7	-64.4	-3.4	0	0	0	112.4	M18 N26	M18-N22 WeakPolarHBondContact O-CB 3.48Å; M18-N22 PolarHBondContact O-N 3.11Å; M18-N22 PolarHBondContact O-OD1 2.99Å; N22-N26 WeakPolarHBondContact O-CB 3.48Å; N22-N26 PolarHBondContact O-N 3.45Å; N22-N26 VanDerWaalsContact O-N 3.07Å; N22-N26 PolarHBondContact O-ND2 3.05Å
23	A	50.8	Low	50.1	Low	49 Å²	49	92.3 Å²	92.3	41%	0.405	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-44.8	172.1	0	0	0	0	0	111.4	A19 L20 S21 N26 E27	A19-A23 WeakPolarHBondContact O-CB 3.39Å; A19-A23 PolarHBondContact O-N 3.38Å; L20-A23 PolarHBondContact O-N 3.37Å; S21-A23 VanDerWaalsContact C-N 3.3Å; S21-A23 PolarHBondContact O-N 3.07Å; A23-N26 PolarHBondContact O-N 3.42Å; A23-E27 PolarHBondContact O-N 2.82Å
24	S	48.4	Very low	49.8	Very low	60 Å²	60	96.3 Å²	96.3	42%	0.42	53%	0.527	S	S	.	.	H	α-helix	trans	-69	-32.9	178.6	73.1	0	0	0	0	113.9	L20 S21 T28	L20-S24 PolarHBondContact O-N 3.29Å; L20-S24 PolarHBondContact O-OG 3.1Å; S21-S24 PolarHBondContact O-N 3.24Å; S21-S24 VanDerWaalsContact O-N 3.08Å; S21-S24 PolarHBondContact O-OG 3.07Å; S24-T28 PolarHBondContact O-N 3.49Å; S24-T28 VanDerWaalsContact O-N 3.11Å; S24-T28 PolarHBondContact O-OG1 3.19Å
25	E	51.4	Low	49.3	Very low	118 Å²	118	94.8 Å²	94.8	55%	0.551	53%	0.527	S	S	*	.	H	α-helix	trans	-71.8	-35.8	174.8	-72.6	-174.7	162.4	0	0	111.6	S21 T28 A29	S21-E25 PolarHBondContact O-N 3.47Å; E25-T28 WeakPolarHBondContact CA-OG1 3.45Å; E25-T28 PolarHBondContact O-OG1 3.45Å; E25-A29 VanDerWaalsContact O-CB 3.28Å; E25-A29 WeakPolarHBondContact O-CB 3.46Å; E25-A29 PolarHBondContact O-N 3.28Å
26	N	53.3	Low	48.9	Very low	109 Å²	109	97 Å²	97	58%	0.583	54%	0.536	S	S	*	.	H	α-helix	trans	-69.9	-41.4	173.4	-77.3	-17.7	0	0	0	112.6	N22 A23 T28 A29 E30	N22-N26 WeakPolarHBondContact O-CB 3.48Å; N22-N26 PolarHBondContact O-N 3.45Å; N22-N26 VanDerWaalsContact O-N 3.07Å; N22-N26 PolarHBondContact O-ND2 3.05Å; A23-N26 PolarHBondContact O-N 3.42Å; N26-T28 VanDerWaalsContact C-N 3.31Å; N26-T28 PolarHBondContact O-N 3.11Å; N26-A29 PolarHBondContact O-N 3.21Å; N26-E30 PolarHBondContact O-N 2.85Å
27	E	47.1	Very low	48.2	Very low	146 Å²	146	103.3 Å²	103.3	68%	0.682	56%	0.558	S	S	*	*	H	α-helix	trans	-63.9	-35	175.3	-74.8	-172.2	149	0	0	112.4	A23 C31	A23-E27 PolarHBondContact O-N 2.82Å; E27-C31 VanDerWaalsContact O-CB 3.29Å; E27-C31 WeakPolarHBondContact O-CB 3.45Å; E27-C31 PolarHBondContact O-N 3Å; E27-C31 VanDerWaalsContact O-N 3.14Å
28	T	50.1	Low	47.5	Very low	78 Å²	78	106.3 Å²	106.3	48%	0.479	57%	0.57	S	S	.	*	H	α-helix	trans	-77.2	-29.4	175.2	45.8	0	0	0	0	113.3	S24 E25 N26 T32	S24-T28 PolarHBondContact O-N 3.49Å; S24-T28 VanDerWaalsContact O-N 3.11Å; S24-T28 PolarHBondContact O-OG1 3.19Å; E25-T28 WeakPolarHBondContact CA-OG1 3.45Å; E25-T28 PolarHBondContact O-OG1 3.45Å; N26-T28 VanDerWaalsContact C-N 3.31Å; N26-T28 PolarHBondContact O-N 3.11Å; T28-T32 PolarHBondContact O-N 3.33Å; T28-T32 VanDerWaalsContact O-N 3.16Å; T28-T32 PolarHBondContact O-OG1 3.22Å
29	A	46.6	Very low	46.8	Very low	47 Å²	47	106.4 Å²	106.4	39%	0.388	58%	0.58	S	S	.	*	H	α-helix	trans	-69.7	-44.5	171.8	0	0	0	0	0	112.8	E25 N26 C31 T32 Q33	E25-A29 VanDerWaalsContact O-CB 3.28Å; E25-A29 WeakPolarHBondContact O-CB 3.46Å; E25-A29 PolarHBondContact O-N 3.28Å; N26-A29 PolarHBondContact O-N 3.21Å; A29-C31 VanDerWaalsContact C-N 3.35Å; A29-C31 PolarHBondContact O-N 3.04Å; A29-T32 PolarHBondContact O-N 3.41Å; A29-T32 PolarHBondContact O-OG1 3.31Å; A29-Q33 PolarHBondContact O-N 3.19Å
30	E	47.8	Very low	45.9	Very low	137 Å²	137	112.5 Å²	112.5	64%	0.64	60%	0.599	S	S	*	*	H	α-helix	trans	-68.7	-32.5	176.4	-74.7	-164.6	138.3	0	0	112.5	N26 N34	N26-E30 PolarHBondContact O-N 2.85Å; E30-N34 PolarHBondContact O-N 2.95Å; E30-N34 PolarHBondContact O-ND2 3.09Å
31	C	41.6	Very low	45.4	Very low	84 Å²	84	115.2 Å²	115.2	57%	0.568	61%	0.608	S	S	*	*	H	α-helix	trans	-66	-40.8	173.8	-167.4	0	0	0	0	111.9	E27 A29 V35	E27-C31 VanDerWaalsContact O-CB 3.29Å; E27-C31 WeakPolarHBondContact O-CB 3.45Å; E27-C31 PolarHBondContact O-N 3Å; E27-C31 VanDerWaalsContact O-N 3.14Å; A29-C31 VanDerWaalsContact C-N 3.35Å; A29-C31 PolarHBondContact O-N 3.04Å; C31-V35 WeakPolarHBondContact O-CG2 3.35Å
32	T	48.3	Very low	44.9	Very low	94 Å²	94	122.1 Å²	122.1	58%	0.577	64%	0.636	S	S	*	*	H	α-helix	trans	-78.3	-30.5	-179.7	45.8	0	0	0	0	114	T28 A29	T28-T32 PolarHBondContact O-N 3.33Å; T28-T32 VanDerWaalsContact O-N 3.16Å; T28-T32 PolarHBondContact O-OG1 3.22Å; A29-T32 PolarHBondContact O-N 3.41Å; A29-T32 PolarHBondContact O-OG1 3.31Å
33	Q	48.3	Very low	44.1	Very low	154 Å²	154	123.3 Å²	123.3	72%	0.72	65%	0.65	S	S	*	*	H	α-helix	trans	-70	-32.1	173	-90.1	-170.3	-11	0	0	113.8	A29	A29-Q33 PolarHBondContact O-N 3.19Å
34	N	43.3	Very low	43.3	Very low	110 Å²	110	125.5 Å²	125.5	59%	0.588	66%	0.663	S	S	*	*	H	α-helix	trans	-77.8	-23.7	179.4	-77	-57.7	0	0	0	113.8	E30	E30-N34 PolarHBondContact O-N 2.95Å; E30-N34 PolarHBondContact O-ND2 3.09Å
35	V	47	Very low	42.8	Very low	101 Å²	101	131.1 Å²	131.1	61%	0.612	68%	0.682	S	S	*	*	H	α-helix	trans	-74.4	-29.3	173.9	173.7	0	0	0	0	111.9	C31 K37	C31-V35 WeakPolarHBondContact O-CG2 3.35Å; V35-K37 VanDerWaalsContact C-N 3.29Å; V35-K37 PolarHBondContact O-N 2.87Å
36	H	43.8	Very low	42.2	Very low	165 Å²	165	131.7 Å²	131.7	76%	0.764	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-1.3	-177.8	-114.4	-64.5	0	0	0	115.4
37	K	41.8	Very low	41.5	Very low	178 Å²	178	131.8 Å²	131.8	77%	0.774	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	10.4	-176.3	-147.8	175.7	-177.4	178.5	0	114.8	V35	V35-K37 VanDerWaalsContact C-N 3.29Å; V35-K37 PolarHBondContact O-N 2.87Å
38	F	39.2	Very low	41	Very low	197 Å²	197	135.1 Å²	135.1	86%	0.864	70%	0.696	S	S	*	*	S	Bend	trans	-128.3	22.2	-179	-92.5	-76.6	0	0	0	113.9
39	S	36.5	Very low	40.4	Very low	101 Å²	101	135.8 Å²	135.8	71%	0.706	70%	0.704	S	S	*	*			trans	-126.4	21.2	-175.7	-60.8	0	0	0	0	114.9
40	E	35.1	Very low	39.9	Very low	190 Å²	190	141.5 Å²	141.5	89%	0.888	73%	0.727	S	S	*	*			trans	-118.4	97.9	163.6	-77.6	-174.2	127.1	0	0	108.8
41	E	36.1	Very low	39.3	Very low	183 Å²	183	140 Å²	140	86%	0.855	73%	0.731	S	S	*	*			trans	160.1	83.7	150.8	-92	-179.7	-177.2	0	0	111
42	Q	36	Very low	39	Very low	184 Å²	184	141.6 Å²	141.6	86%	0.86	74%	0.744	S	S	*	*			trans	159.5	99.9	156.3	-91.6	159.3	44.6	0	0	107.1
43	S	34	Very low	38.4	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	75%	0.754	S	S	*	*				38.7	124.4	74.8	76.8	0	0	0	0	113.6
44	S	34.6	Very low	37.7	Very low	95 Å²	95	144.3 Å²	144.3	66%	0.664	76%	0.76	S	S	*	*			cis	-172.9	171.1	0.7	41.2	0	0	0	0	107.9
45	E	37.7	Very low	37.1	Very low	177 Å²	177	146 Å²	146	83%	0.827	77%	0.768	S	S	*	*			trans	69.9	147.5	168.5	-53.8	179.8	161.7	0	0	115.2
46	D	38.1	Very low	36.6	Very low	131 Å²	131	146.5 Å²	146.5	70%	0.701	77%	0.773	S	S	*	*			cis	-155.5	152.4	-17.7	-137.5	7.8	0	0	0	113.2
47	N	38.9	Very low	35.8	Very low	111 Å²	111	146.2 Å²	146.2	59%	0.594	78%	0.777	S	S	*	*			trans	41	122.9	145.2	-78.7	-56.1	0	0	0	124.8
48	R	36.9	Very low	35.4	Very low	216 Å²	216	142.9 Å²	142.9	82%	0.815	78%	0.776	S	S	*	*				90.1	95.2	126.7	-72.6	178.7	-172.5	-164.9	-0	123.5
49	S	36	Very low	34.9	Very low	92 Å²	92	140.5 Å²	140.5	64%	0.643	78%	0.778	S	S	*	*				74	127.6	110.9	69.3	0	0	0	0	124
50	L	37.7	Very low	34.6	Very low	166 Å²	166	143.3 Å²	143.3	87%	0.869	78%	0.784	S	S	*	*			trans	66.2	136.1	141.3	-65	164.9	0	0	0	117.4
51	S	35.2	Very low	34.3	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	78%	0.777	S	S	*	*			cis	-173.6	154.3	21.9	40.3	0	0	0	0	113.8
52	S	33.9	Very low	34	Very low	119 Å²	119	137.7 Å²	137.7	83%	0.832	77%	0.774	S	S	*	*			trans	67.2	141.9	152	-137.9	0	0	0	0	121.3
53	P	36.9	Very low	33.7	Very low	120 Å²	120	137.5 Å²	137.5	78%	0.779	77%	0.773	S	S	*	*			trans	-103.1	157.2	-170.7	39.6	-34.4	0	0	0	115.5
54	H	33.1	Very low	33.6	Very low	184 Å²	184	137.6 Å²	137.6	85%	0.852	77%	0.772	S	S	*	*			trans	-143.4	137.6	159.5	-158.9	-71.3	0	0	0	110.5
55	I	31.2	Very low	33.5	Very low	147 Å²	147	139.1 Å²	139.1	75%	0.754	78%	0.777	S	S	*	*			trans	-78	138.9	-178.8	-63.4	159.1	0	0	0	109.4
56	P	35	Very low	33.2	Very low	110 Å²	110	139.2 Å²	139.2	71%	0.714	78%	0.775	S	S	*	*				-143.2	160.4	108.3	36.9	-21.2	0	0	0	116.1
57	D	27.7	Very low	32.9	Very low	159 Å²	159	141.5 Å²	141.5	85%	0.85	78%	0.781	S	S	*	*			trans	-14.4	121.3	170.3	-59.1	-49.3	0	0	0	119.3
58	S	34	Very low	32.6	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	79%	0.786	S	S	*	*			trans	-148.2	123.8	145.8	58.4	0	0	0	0	111	L60	S58-L60 PolarHBondContact O-N 2.95Å; S58-L60 VanDerWaalsContact O-N 3.12Å
59	T	29.2	Very low	32.5	Very low	147 Å²	147	134 Å²	134	90%	0.902	78%	0.781	S	S	*	*			trans	-74.5	94.2	175.5	46.4	0	0	0	0	110.6
60	L	29.1	Very low	32.4	Very low	161 Å²	161	139.2 Å²	139.2	84%	0.843	80%	0.795	S	S	*	*			trans	-154.9	108.9	167.8	-105.2	158.6	0	0	0	109.7	S58	S58-L60 PolarHBondContact O-N 2.95Å; S58-L60 VanDerWaalsContact O-N 3.12Å
61	S	30.1	Very low	32.3	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	79%	0.791	S	S	*	*			trans	-147.8	87.9	170.8	174.2	0	0	0	0	110.8
62	N	29.8	Very low	32.2	Very low	147 Å²	147	143 Å²	143	79%	0.786	80%	0.799	S	S	*	*			trans	51	87.2	135	-52.6	-18.4	0	0	0	117.3
63	Q	29.2	Very low	32.1	Very low	181 Å²	181	142 Å²	142	85%	0.846	79%	0.792	S	S	*	*			trans	-100.1	139.8	139.3	-93.5	-164.9	-21.4	0	0	109	V65	Q63-V65 PolarHBondContact O-N 3.2Å
64	P	32	Very low	31.8	Very low	107 Å²	107	147 Å²	147	70%	0.695	80%	0.795	S	S	*	*			trans	-70.3	116.7	170.6	29.1	-32.1	0	0	0	109.7	F66	P64-F66 HydrophobicContact CB-CD2 4.3Å; P64-F66 HydrophobicContact CB-CE2 4.4Å; P64-F66 PolarHBondContact O-N 3.44Å
65	V	31	Very low	31.8	Very low	127 Å²	127	145.5 Å²	145.5	77%	0.77	79%	0.792	S	S	*	*			trans	-78	100	167	178	0	0	0	0	107.4	Q63 E67	Q63-V65 PolarHBondContact O-N 3.2Å; V65-E67 VanDerWaalsContact C-N 3.35Å; V65-E67 HydrophobicContact CG1-CB 4.45Å; V65-E67 PolarHBondContact O-N 3.47Å; V65-E67 VanDerWaalsContact O-N 3.13Å
66	F	32.2	Very low	31.9	Very low	179 Å²	179	148 Å²	148	79%	0.785	79%	0.792	S	S	*	*			trans	-80.1	86.6	168.2	-96.3	-83	0	0	0	109.8	P64 G68	P64-F66 HydrophobicContact CB-CD2 4.3Å; P64-F66 HydrophobicContact CB-CE2 4.4Å; P64-F66 PolarHBondContact O-N 3.44Å; F66-G68 PolarHBondContact O-N 2.76Å; F66-G68 VanDerWaalsContact O-N 3.07Å
67	E	32.7	Very low	31.8	Very low	178 Å²	178	150.8 Å²	150.8	83%	0.832	80%	0.8	S	S	*	*			trans	-78.9	75.4	167.8	-167.8	166.9	-162.1	0	0	109.3	V65 S69	V65-E67 VanDerWaalsContact C-N 3.35Å; V65-E67 HydrophobicContact CG1-CB 4.45Å; V65-E67 PolarHBondContact O-N 3.47Å; V65-E67 VanDerWaalsContact O-N 3.13Å; E67-S69 PolarHBondContact O-N 3.16Å
68	G	31.8	Very low	31.9	Very low	69 Å²	69	148.1 Å²	148.1	71%	0.711	79%	0.794	S	S	*	*			trans	-74.5	99.9	176.4	0	0	0	0	0	111.1	F66 E70	F66-G68 PolarHBondContact O-N 2.76Å; F66-G68 VanDerWaalsContact O-N 3.07Å; G68-E70 PolarHBondContact O-N 2.87Å
69	S	34.9	Very low	31.5	Very low	100 Å²	100	148.7 Å²	148.7	70%	0.699	80%	0.798	S	S	*	*			trans	-70	116	-173.6	56.2	0	0	0	0	113.6	E67 K71	E67-S69 PolarHBondContact O-N 3.16Å; S69-K71 PolarHBondContact O-N 2.8Å
70	E	33.5	Very low	31.7	Very low	202 Å²	202	147.3 Å²	147.3	94%	0.944	79%	0.794	S	S	*	*			trans	-63	101.6	167.9	-69.8	-175	152.1	0	0	111.1	G68	G68-E70 PolarHBondContact O-N 2.87Å
71	K	36.6	Very low	31.9	Very low	181 Å²	181	143 Å²	143	79%	0.787	79%	0.788	S	S	*	*			trans	-130.2	157.3	158.3	-78.2	179.8	179.5	168.1	0	108.1	S69	S69-K71 PolarHBondContact O-N 2.8Å
72	L	32.2	Very low	31.8	Very low	169 Å²	169	145.8 Å²	145.8	89%	0.885	80%	0.795	S	S	*	*			trans	77.2	118.5	-163.5	-48.6	175.2	0	0	0	112.2
73	S	33	Very low	32	Very low	100 Å²	100	144.6 Å²	144.6	70%	0.699	80%	0.798	S	S	*	*			cis	-150	139.9	-1.6	-76.3	0	0	0	0	111	I75	S73-I75 PolarHBondContact O-N 2.85Å
74	R	29.1	Very low	32	Very low	223 Å²	223	141.5 Å²	141.5	84%	0.842	80%	0.796	S	S	*	*			trans	-67.4	116.7	171.3	-72.3	174.3	174.4	166.6	-2	110
75	I	34.1	Very low	32	Very low	154 Å²	154	144.1 Å²	144.1	79%	0.79	80%	0.803	S	S	*	*			trans	-109.2	108.5	153.1	-62	-179.5	0	0	0	107.3	S73 L77	S73-I75 PolarHBondContact O-N 2.85Å; I75-L77 PolarHBondContact O-N 3.07Å
76	R	32.9	Very low	32.1	Very low	200 Å²	200	143.5 Å²	143.5	76%	0.755	80%	0.802	S	S	*	*			trans	-77.3	112	174	-72.7	174.1	168.4	160.1	-7.2	108.6	S78	R76-S78 PolarHBondContact O-N 3.39Å
77	L	32	Very low	31.8	Very low	168 Å²	168	140.4 Å²	140.4	88%	0.88	80%	0.802	S	S	*	*			trans	-85.1	95.4	155	-70.1	179	0	0	0	107.5	I75 S79	I75-L77 PolarHBondContact O-N 3.07Å; L77-S79 PolarHBondContact O-N 3.34Å
78	S	31	Very low	32	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	80%	0.801	S	S	*	*			trans	-64.1	122.6	179.2	-59.7	0	0	0	0	110.7	R76 S80	R76-S78 PolarHBondContact O-N 3.39Å; S78-S80 PolarHBondContact O-N 2.82Å
79	S	25.2	Very low	32.2	Very low	121 Å²	121	142.1 Å²	142.1	85%	0.846	81%	0.807	S	S	*	*			trans	-76.9	110.4	167.3	55.1	0	0	0	0	110.5	L77	L77-S79 PolarHBondContact O-N 3.34Å
80	S	33.7	Very low	31.8	Very low	117 Å²	117	142.8 Å²	142.8	82%	0.818	81%	0.811	S	S	*	*			trans	-131.3	139	159.5	-56.5	0	0	0	0	106	S78	S78-S80 PolarHBondContact O-N 2.82Å
81	G	33.5	Very low	31.8	Very low	70 Å²	70	143 Å²	143	72%	0.722	81%	0.81	S	S	*	*			cis	144.8	105.3	11.1	0	0	0	0	0	106.5
82	D	28.4	Very low	31.3	Very low	166 Å²	166	140 Å²	140	89%	0.888	81%	0.812	S	S	*	*			trans	31.9	111.9	170.6	-60.8	-40.2	0	0	0	120.4
83	S	32.2	Very low	31.3	Very low	123 Å²	123	138.8 Å²	138.8	86%	0.86	81%	0.811	S	S	*	*			trans	-145	109.9	132.7	54.7	0	0	0	0	111.1
84	S	29.2	Very low	31.2	Very low	115 Å²	115	141.9 Å²	141.9	80%	0.804	81%	0.812	S	S	*	*			trans	-85.3	125	-178.9	53.9	0	0	0	0	112.1
85	I	33.8	Very low	31.1	Very low	162 Å²	162	139.8 Å²	139.8	83%	0.831	81%	0.809	S	S	*	*			trans	-138.5	128.4	159.4	-56.9	-176.5	0	0	0	108.7
86	P	31.6	Very low	30.9	Very low	115 Å²	115	139.2 Å²	139.2	75%	0.747	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-88.3	154.1	-168.3	34.7	-36.4	0	0	0	114.4
87	S	26.6	Very low	30.9	Very low	114 Å²	114	135.2 Å²	135.2	80%	0.797	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.5	135	172.4	-46.8	0	0	0	0	112.5
88	P	35.9	Very low	30.9	Very low	124 Å²	124	132.8 Å²	132.8	81%	0.805	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-85.8	153.6	166.7	32.5	-30.9	0	0	0	112.6
89	L	36	Very low	30.8	Very low	159 Å²	159	138.3 Å²	138.3	83%	0.832	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.3	158.4	-164.9	-74.3	84.5	0	0	0	116.2
90	S	27.7	Very low	31.1	Very low	114 Å²	114	139.3 Å²	139.3	80%	0.797	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-57.7	138.3	168	-34	0	0	0	0	114.2
91	F	33.4	Very low	31.1	Very low	206 Å²	206	139 Å²	139	90%	0.904	80%	0.803	S	S	*	*			trans	-138	146.1	150.5	-80.8	-78.7	0	0	0	109.9
92	S	26	Very low	30.8	Very low	119 Å²	119	144.1 Å²	144.1	83%	0.832	81%	0.808	S	S	*	*			trans	-136.2	119.2	-175.4	-177.1	0	0	0	0	110.6
93	T	32.6	Very low	31.2	Very low	143 Å²	143	144.3 Å²	144.3	88%	0.877	81%	0.807	S	S	*	*			trans	-142	144.6	174.7	-43.7	0	0	0	0	110.7
94	K	29.6	Very low	31.1	Very low	164 Å²	164	144.5 Å²	144.5	71%	0.713	80%	0.799	S	S	*	*			trans	-97.1	176.9	-169.2	-67.2	172.3	175.5	173.5	0	113.5
95	F	28.5	Very low	31.4	Very low	179 Å²	179	144.6 Å²	144.6	79%	0.785	80%	0.796	S	S	*	*			trans	81.7	148.5	159	-51.3	-68.9	0	0	0	115.8
96	I	29.1	Very low	31.2	Very low	142 Å²	142	145.6 Å²	145.6	73%	0.728	79%	0.791	S	S	*	*			cis	-154.6	159.1	-7.9	-118.1	160.2	0	0	0	109.2
97	P	34.2	Very low	31.4	Very low	116 Å²	116	146.3 Å²	146.3	75%	0.753	80%	0.796	S	S	*	*			trans	-100.2	145.4	-172.2	37.2	-33.6	0	0	0	116.2
98	S	29.9	Very low	31.4	Very low	118 Å²	118	146 Å²	146	83%	0.825	79%	0.793	S	S	*	*			trans	-175.9	159.8	164	52	0	0	0	0	110.5
99	R	30.4	Very low	31.1	Very low	217 Å²	217	145.3 Å²	145.3	82%	0.819	80%	0.798	S	S	*	*			cis	-171.6	144	-36	-156.1	-162.8	-179.6	170.5	0.6	106.8
100	N	30.6	Very low	30.6	Very low	142 Å²	142	143.1 Å²	143.1	76%	0.759	80%	0.796	S	S	*	*			trans	67	160.8	171.7	-48.1	-18.7	0	0	0	115
101	S	33.6	Very low	30.9	Very low	111 Å²	111	145.6 Å²	145.6	78%	0.776	80%	0.8	S	S	*	*			cis	-143.4	167.6	5.6	49.5	0	0	0	0	112.5
102	E	28.1	Very low	30.7	Very low	177 Å²	177	142.7 Å²	142.7	83%	0.827	79%	0.794	S	S	*	*			trans	-61.4	156.9	-179.6	-59.1	135.7	136.9	0	0	114.9
103	I	36.4	Very low	30.8	Very low	171 Å²	171	143 Å²	143	88%	0.877	79%	0.793	S	S	*	*				-168.2	134.4	120.3	-90.3	147.6	0	0	0	108.3
104	N	29.6	Very low	30.7	Very low	127 Å²	127	143 Å²	143	68%	0.679	79%	0.792	S	S	*	*			trans	-118.4	151.4	175.1	-151.8	3	0	0	0	107
105	P	35.8	Very low	30.5	Very low	116 Å²	116	142.7 Å²	142.7	75%	0.753	80%	0.798	S	S	*	*				-150.5	149.8	106.8	35.5	-18	0	0	0	116.3
106	Y	29.2	Very low	30.7	Very low	183 Å²	183	137.8 Å²	137.8	72%	0.718	80%	0.799	S	S	*	*			trans	-78.7	167.6	161.6	-92.5	-102.2	0	0	0	111.6
107	P	35.3	Very low	30.7	Very low	131 Å²	131	138.1 Å²	138.1	85%	0.851	80%	0.802	S	S	*	*				-131.8	142.8	112	36.2	-28.9	0	0	0	113.9
108	S	27.6	Very low	30.3	Very low	106 Å²	106	137.7 Å²	137.7	74%	0.741	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-96.2	135	179.2	-52.7	0	0	0	0	111.6
109	A	29.7	Very low	30.4	Very low	110 Å²	110	139.9 Å²	139.9	91%	0.909	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-99.6	124.4	169	0	0	0	0	0	110.6
110	S	26.4	Very low	30.2	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-97.8	127.7	-178.2	55	0	0	0	0	112.3
111	L	32.6	Very low	30.1	Very low	167 Å²	167	135.4 Å²	135.4	87%	0.874	80%	0.796	S	S	*	*			trans	-145.7	105.3	159.7	-93.1	174.5	0	0	0	111.7
112	N	29.3	Very low	30	Very low	145 Å²	145	134.1 Å²	134.1	78%	0.775	79%	0.787	S	S	*	*			trans	27.8	133.4	158.6	-64	-20.9	0	0	0	122.9
113	P	27.5	Very low	30.2	Very low	126 Å²	126	135 Å²	135	82%	0.818	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-84.1	139.3	171.2	35.1	-32.9	0	0	0	112.6
114	V	31.3	Very low	29.9	Very low	143 Å²	143	135.4 Å²	135.4	87%	0.867	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-102.4	134.4	164.6	174.9	0	0	0	0	109.4	G116	V114-G116 PolarHBondContact O-N 3.05Å
115	N	26.1	Very low	30.1	Very low	156 Å²	156	134 Å²	134	83%	0.834	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-51.9	125.3	-178.9	-80.7	-37.1	0	0	0	113.5
116	G	31.8	Very low	30.3	Very low	77 Å²	77	134.5 Å²	134.5	79%	0.794	78%	0.775	S	S	*	*			trans	-132.4	99.3	166.7	0	0	0	0	0	110.1	V114	V114-G116 PolarHBondContact O-N 3.05Å
117	N	29.6	Very low	30.8	Very low	148 Å²	148	133.4 Å²	133.4	79%	0.791	78%	0.776	S	S	*	*			trans	-68.2	152.1	-172.5	-82.5	-37.4	0	0	0	113.8	I119	N117-I119 PolarHBondContact O-N 3.41Å
118	S	26.4	Very low	30.7	Very low	107 Å²	107	128.6 Å²	128.6	75%	0.748	75%	0.75	S	S	*	*			trans	-48.2	123.3	-179.3	58.6	0	0	0	0	114.9	H120	S118-H120 PolarHBondContact O-N 2.82Å
119	I	30.5	Very low	31.1	Very low	165 Å²	165	127.3 Å²	127.3	85%	0.846	74%	0.735	S	S	*	*			trans	-89.6	100.7	167.1	-62.5	175.9	0	0	0	109.1	N117	N117-I119 PolarHBondContact O-N 3.41Å
120	H	27.8	Very low	31.4	Very low	143 Å²	143	125.3 Å²	125.3	66%	0.662	71%	0.708	S	S	*	*			trans	-75.2	135.4	164	-116.3	-77.4	0	0	0	109	S118 S122	S118-H120 PolarHBondContact O-N 2.82Å; H120-S122 PolarHBondContact O-N 3.14Å
121	P	28.4	Very low	31.7	Very low	121 Å²	121	127.6 Å²	127.6	79%	0.786	70%	0.701	S	S	*	*			trans	-71.1	96.1	172	28.3	-32.8	0	0	0	109.6
122	S	31.3	Very low	31.8	Very low	85 Å²	85	124.2 Å²	124.2	59%	0.594	68%	0.683	S	S	*	*			trans	-85.1	128.6	-177.5	57.9	0	0	0	0	111.9	H120 Q124	H120-S122 PolarHBondContact O-N 3.14Å; S122-Q124 VanDerWaalsContact C-N 3.28Å; S122-Q124 PolarHBondContact O-N 2.84Å
123	K	32.4	Very low	32.2	Very low	194 Å²	194	121.4 Å²	121.4	84%	0.843	67%	0.668	S	S	*	*	S	Bend	trans	-73.7	70.8	175.5	-62.8	171.9	176.2	175.9	0	110.9
124	Q	30.6	Very low	32.6	Very low	180 Å²	180	120.9 Å²	120.9	84%	0.841	66%	0.658	S	S	*	*			trans	-166.3	60.4	-176.4	-121.9	168.6	3	0	0	115.5	S122	S122-Q124 VanDerWaalsContact C-N 3.28Å; S122-Q124 PolarHBondContact O-N 2.84Å
125	V	33	Very low	33	Very low	99 Å²	99	117.3 Å²	117.3	60%	0.6	63%	0.633	S	S	*	*			trans	-133.9	8.8	-171.9	-150.5	0	0	0	0	117.2
126	H	39.6	Very low	33.5	Very low	126 Å²	126	113.9 Å²	113.9	58%	0.583	62%	0.621	S	S	*	*	S	Bend	trans	-117.3	-7.7	-176.5	-66	-52.3	0	0	0	117.4
127	Q	39.4	Very low	33.8	Very low	159 Å²	159	115.4 Å²	115.4	74%	0.743	61%	0.606	S	S	*	*	S	Bend	trans	-93.5	-8.2	177	-73.7	177.8	-21.4	0	0	114.1
128	G	32.7	Very low	34.3	Very low	30 Å²	30	115.8 Å²	115.8	31%	0.309	60%	0.603	S	S	.	*	S	Bend	trans	-103.2	-12.2	-174.3	0	0	0	0	0	116.6	Y131 N132	G128-Y131 PolarHBondContact O-N 3.12Å; G128-N132 WeakPolarHBondContact O-CB 3.3Å; G128-N132 VanDerWaalsContact O-CG 3.28Å; G128-N132 PolarHBondContact O-N 3.25Å
129	L	37.6	Very low	34.8	Very low	80 Å²	80	116.5 Å²	116.5	42%	0.419	60%	0.603	S	S	.	*	H	α-helix	trans	-68.7	-39	-170.9	-82.4	164.9	0	0	0	113.5	L133	L129-L133 WeakPolarHBondContact O-CB 3.37Å; L129-L133 WeakPolarHBondContact O-CD1 3.19Å; L129-L133 PolarHBondContact O-N 2.76Å
130	L	36	Very low	35	Very low	67 Å²	67	113.6 Å²	113.6	35%	0.351	60%	0.597	S	S	.	*	H	α-helix	trans	-69.5	-42.6	173.3	-89.7	165.4	0	0	0	112.2	L133 L134 Y547	L130-L133 PolarHBondContact O-N 3.38Å; L130-L134 WeakPolarHBondContact O-CB 3.44Å; L130-L134 WeakPolarHBondContact O-CG 3.35Å; L130-L134 PolarHBondContact O-N 3.29Å; L130-Y547 WeakPolarHBondContact CD1-OH 3.48Å
131	Y	32	Very low	35.3	Very low	161 Å²	161	111.6 Å²	111.6	63%	0.631	60%	0.599	S	S	*	*	H	α-helix	trans	-62.4	-44	179.4	-165.6	-102.9	0	0	0	111.6	G128 L134 I135	G128-Y131 PolarHBondContact O-N 3.12Å; Y131-L134 PolarHBondContact O-N 3.1Å; Y131-I135 HydrophobicContact CD1-CD1 3.63Å; Y131-I135 HydrophobicContact CD2-CD1 4.23Å; Y131-I135 HydrophobicContact CE1-CD1 3.25Å; Y131-I135 HydrophobicContact CE2-CD1 3.9Å; Y131-I135 HydrophobicContact CG-CD1 4.11Å; Y131-I135 WeakPolarHBondContact O-CB 3.43Å; Y131-I135 WeakPolarHBondContact O-CG1 3.49Å; Y131-I135 PolarHBondContact O-N 3.14Å
132	N	34.3	Very low	35.5	Very low	96 Å²	96	114.3 Å²	114.3	51%	0.513	60%	0.602	S	S	.	*	H	α-helix	trans	-71.6	-37.5	176.8	-67.9	-9.5	0	0	0	112.4	G128 L134 S136	G128-N132 WeakPolarHBondContact O-CB 3.3Å; G128-N132 VanDerWaalsContact O-CG 3.28Å; G128-N132 PolarHBondContact O-N 3.25Å; N132-L134 VanDerWaalsContact C-N 3.31Å; N132-L134 PolarHBondContact O-N 2.94Å; N132-S136 WeakPolarHBondContact O-CB 3.36Å; N132-S136 PolarHBondContact O-N 3.38Å; N132-S136 PolarHBondContact O-OG 2.78Å; N132-S136 VanDerWaalsContact O-OG 3.07Å
133	L	38	Very low	35.5	Very low	87 Å²	87	118.2 Å²	118.2	46%	0.455	62%	0.616	S	S	.	*	H	α-helix	trans	-66.9	-30.6	175	-100.9	101.9	0	0	0	113.4	M1 L129 L130	M1-L133 HydrophobicContact CB-CD2 3.77Å; L129-L133 WeakPolarHBondContact O-CB 3.37Å; L129-L133 WeakPolarHBondContact O-CD1 3.19Å; L129-L133 PolarHBondContact O-N 2.76Å; L130-L133 PolarHBondContact O-N 3.38Å
134	L	36.4	Very low	35.6	Very low	115 Å²	115	114.7 Å²	114.7	60%	0.602	62%	0.616	S	S	*	*	H	α-helix	trans	-74.6	-46.9	176	-75.7	162.5	0	0	0	111.1	L130 Y131 N132	L130-L134 WeakPolarHBondContact O-CB 3.44Å; L130-L134 WeakPolarHBondContact O-CG 3.35Å; L130-L134 PolarHBondContact O-N 3.29Å; Y131-L134 PolarHBondContact O-N 3.1Å; N132-L134 VanDerWaalsContact C-N 3.31Å; N132-L134 PolarHBondContact O-N 2.94Å
135	I	39.2	Very low	35.5	Very low	68 Å²	68	113.2 Å²	113.2	35%	0.349	62%	0.619	S	S	.	*	H	α-helix	trans	-76.7	-37.5	-175.8	-66.1	171.8	0	0	0	112.6	Y131 K137 E138	Y131-I135 HydrophobicContact CD1-CD1 3.63Å; Y131-I135 HydrophobicContact CD2-CD1 4.23Å; Y131-I135 HydrophobicContact CE1-CD1 3.25Å; Y131-I135 HydrophobicContact CE2-CD1 3.9Å; Y131-I135 HydrophobicContact CG-CD1 4.11Å; Y131-I135 WeakPolarHBondContact O-CB 3.43Å; Y131-I135 WeakPolarHBondContact O-CG1 3.49Å; Y131-I135 PolarHBondContact O-N 3.14Å; I135-K137 PolarHBondContact O-N 3.41Å; I135-E138 PolarHBondContact O-N 3.36Å; I135-E138 VanDerWaalsContact O-N 3.15Å
136	S	35.7	Very low	35.5	Very low	83 Å²	83	114.1 Å²	114.1	58%	0.58	63%	0.63	S	S	*	*	H	α-helix	trans	-71	-9.9	-178.3	-63.9	0	0	0	0	114.4	N132	N132-S136 WeakPolarHBondContact O-CB 3.36Å; N132-S136 PolarHBondContact O-N 3.38Å; N132-S136 PolarHBondContact O-OG 2.78Å; N132-S136 VanDerWaalsContact O-OG 3.07Å
137	K	39.6	Very low	35.2	Very low	109 Å²	109	118 Å²	118	47%	0.474	65%	0.645	S	S	.	*	H	α-helix	trans	-90.6	-18.6	172.1	-145.4	-169.8	170.6	-166.2	0	113.2	I135 S733 A734	I135-K137 PolarHBondContact O-N 3.41Å; K137-S733 PolarHBondContact NZ-O 3.39Å; K137-A734 PolarHBondContact NZ-O 3.27Å; K137-A734 PolarHBondContact NZ-OXT 2.96Å
138	E	39.9	Very low	34.8	Very low	157 Å²	157	117.7 Å²	117.7	73%	0.734	65%	0.654	S	S	*	*	H	α-helix	trans	-85	-11	-173.6	-147.1	165.2	-159.1	0	0	113.2	I135	I135-E138 PolarHBondContact O-N 3.36Å; I135-E138 VanDerWaalsContact O-N 3.15Å
139	T	37.3	Very low	34.7	Very low	122 Å²	122	121.4 Å²	121.4	75%	0.748	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	20.2	-176	66.7	0	0	0	0	114.6
140	S	33.9	Very low	34.5	Very low	103 Å²	103	124.4 Å²	124.4	72%	0.72	70%	0.697	S	S	*	*	S	Bend	trans	-123.2	9.7	-172.8	-168.1	0	0	0	0	115.3
141	S	33.2	Very low	34	Very low	101 Å²	101	126.2 Å²	126.2	71%	0.706	72%	0.715	S	S	*	*	S	Bend	trans	-123.5	27.8	-172.6	52.7	0	0	0	0	114.5
142	Q	33.7	Very low	34.1	Very low	179 Å²	179	125.4 Å²	125.4	84%	0.836	73%	0.727	S	S	*	*	S	Bend	trans	-138.6	90.4	169	-68.7	-170	-3	0	0	111.3
143	N	30.6	Very low	34	Very low	166 Å²	166	126 Å²	126	89%	0.888	74%	0.739	S	S	*	*			trans	156.7	86.8	146.4	-83.5	-30.1	0	0	0	112.7
144	S	33.9	Very low	33.8	Very low	121 Å²	121	128.2 Å²	128.2	85%	0.846	76%	0.759	S	S	*	*			trans	-166.7	79.6	154.1	35.9	0	0	0	0	111.1
145	T	29.4	Very low	33.7	Very low	148 Å²	148	126.4 Å²	126.4	91%	0.908	77%	0.767	S	S	*	*			trans	-79.9	115.8	170.9	47.1	0	0	0	0	111.6
146	S	33.9	Very low	33.4	Very low	119 Å²	119	132.1 Å²	132.1	83%	0.832	79%	0.792	S	S	*	*			trans	-145.9	122	157	36.5	0	0	0	0	110.2
147	K	31.8	Very low	33	Very low	207 Å²	207	133.5 Å²	133.5	90%	0.9	80%	0.802	S	S	*	*			trans	-92.2	132.1	-176.3	-58.2	169	178.8	176.1	0	110.2
148	T	31.9	Very low	32.6	Very low	152 Å²	152	136.9 Å²	136.9	93%	0.933	83%	0.825	S	S	*	*			trans	-151.9	127.6	137.5	-15.8	0	0	0	0	111
149	S	30.3	Very low	32.2	Very low	108 Å²	108	136.2 Å²	136.2	76%	0.755	82%	0.823	S	S	*	*			trans	-108.7	134.3	179.9	51.5	0	0	0	0	111.1
150	V	32.4	Very low	32.1	Very low	143 Å²	143	138.2 Å²	138.2	87%	0.867	82%	0.824	S	S	*	*			trans	-147	133.7	142	-177.1	0	0	0	0	108.6
151	S	26.8	Very low	32.1	Very low	105 Å²	105	139.5 Å²	139.5	73%	0.734	83%	0.828	S	S	*	*			trans	-119.3	139.6	173.4	55.8	0	0	0	0	110
152	T	33.2	Very low	31.8	Very low	144 Å²	144	142 Å²	142	88%	0.883	83%	0.833	S	S	*	*			trans	-155.7	158.1	153.6	8.9	0	0	0	0	111.6
153	S	31.9	Very low	32.1	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	84%	0.838	S	S	*	*			trans	-95.5	167	-155.8	44.4	0	0	0	0	116
154	P	34.2	Very low	32	Very low	134 Å²	134	142.2 Å²	142.2	87%	0.87	83%	0.833	S	S	*	*			trans	-81.5	160.2	-178.3	33.8	-36.7	0	0	0	114.4
155	G	34.4	Very low	32.3	Very low	76 Å²	76	145.3 Å²	145.3	78%	0.784	84%	0.837	S	S	*	*			trans	-146.6	163	177.8	0	0	0	0	0	112.2
156	Q	33.6	Very low	32.6	Very low	188 Å²	188	142.7 Å²	142.7	88%	0.879	82%	0.824	S	S	*	*			trans	-103.2	164.6	-155.6	-64.3	171.9	-32.8	0	0	116.3
157	S	28.1	Very low	32.4	Very low	112 Å²	112	144.4 Å²	144.4	78%	0.783	82%	0.824	S	S	*	*			trans	62.4	125.2	146.8	67.4	0	0	0	0	121.8
158	L	30.7	Very low	32.7	Very low	181 Å²	181	141 Å²	141	95%	0.948	82%	0.821	S	S	*	*				-151.7	159.8	120.8	-155.8	63.5	0	0	0	110.4
159	M	32.1	Very low	32.7	Very low	142 Å²	142	144.7 Å²	144.7	70%	0.7	82%	0.817	S	S	*	*			trans	-119.7	161.1	-170.6	-149	175.1	84.4	0	0	110.8
160	E	33.4	Very low	32.7	Very low	164 Å²	164	145.3 Å²	145.3	77%	0.766	82%	0.817	S	S	*	*			trans	70	152	166.8	-51.4	177.9	146.1	0	0	115.4
161	T	34.5	Very low	32.9	Very low	131 Å²	131	146.2 Å²	146.2	80%	0.804	82%	0.817	S	S	*	*			cis	-137.8	159.2	19.8	46.9	0	0	0	0	113.5
162	N	27.9	Very low	33.4	Very low	154 Å²	154	150.3 Å²	150.3	82%	0.824	82%	0.822	S	S	*	*			trans	-74.1	153.9	168.3	-58.3	-48.2	0	0	0	112.3
163	E	38.4	Very low	33.5	Very low	202 Å²	202	148.8 Å²	148.8	94%	0.944	81%	0.814	S	S	*	*			trans	-136.3	150.6	141.4	-77.6	-157.7	154.2	0	0	110.4
164	D	29.5	Very low	33.6	Very low	146 Å²	146	151.3 Å²	151.3	78%	0.781	82%	0.818	S	S	*	*			trans	-128	141.6	-162.9	-179.6	19	0	0	0	108.8
165	M	39.7	Very low	33.5	Very low	187 Å²	187	150 Å²	150	92%	0.921	81%	0.812	S	S	*	*			trans	-153.1	137.1	170.4	-98.4	-57.9	174.8	0	0	111.9
166	S	36.8	Very low	33.5	Very low	92 Å²	92	153.5 Å²	153.5	64%	0.643	81%	0.813	S	S	*	*			trans	-111.6	163.6	-153	52.5	0	0	0	0	116.1
167	D	29.8	Very low	33.4	Very low	156 Å²	156	148.5 Å²	148.5	83%	0.834	80%	0.798	S	S	*	*			trans	38.7	129.1	145.4	-76.4	-37.4	0	0	0	122.7
168	V	36.3	Very low	33.6	Very low	135 Å²	135	149.9 Å²	149.9	82%	0.818	80%	0.803	S	S	*	*			trans	178.3	138	138	139.9	0	0	0	0	107.1
169	R	33.2	Very low	33.7	Very low	229 Å²	229	145.6 Å²	145.6	86%	0.864	79%	0.793	S	S	*	*			cis	-167.8	149.1	-15.2	-171.3	177	-163.7	154	2.5	107.2
170	T	29.3	Very low	33.5	Very low	122 Å²	122	147.9 Å²	147.9	75%	0.748	80%	0.8	S	S	*	*			trans	-79.9	152.2	-177	-36.3	0	0	0	0	113.3
171	D	36.5	Very low	33.5	Very low	162 Å²	162	148.5 Å²	148.5	87%	0.866	80%	0.804	S	S	*	*			trans	-159.3	167.2	141.4	-109.3	-36.3	0	0	0	115.2
172	K	37.1	Very low	33.2	Very low	191 Å²	191	147 Å²	147	83%	0.83	80%	0.796	S	S	*	*			trans	-104.9	173.1	-151	-102.2	176.6	171.6	173	0	117.7
173	P	37	Very low	33.3	Very low	111 Å²	111	144.7 Å²	144.7	72%	0.721	79%	0.791	S	S	*	*			trans	-106.4	165.9	-174.4	41	-34.8	0	0	0	116.3
174	L	33.6	Very low	33	Very low	163 Å²	163	143 Å²	143	85%	0.853	78%	0.783	S	S	*	*			trans	-142.1	133.4	156.3	-79.4	101.4	0	0	0	106.7
175	S	32.4	Very low	33.1	Very low	106 Å²	106	143.9 Å²	143.9	74%	0.741	78%	0.782	S	S	*	*				89.9	146.4	52.4	-66.3	0	0	0	0	113.9
176	D	33.5	Very low	32.7	Very low	149 Å²	149	138.7 Å²	138.7	80%	0.797	77%	0.769	S	S	*	*			trans	80.1	145.8	178.2	-66.6	-38	0	0	0	120.5
177	S	31.3	Very low	32.6	Very low	83 Å²	83	141.8 Å²	141.8	58%	0.58	78%	0.778	S	S	*	*			cis	-177.6	150.7	-31.3	-103.4	0	0	0	0	108.9
178	T	31.6	Very low	32.6	Very low	142 Å²	142	139.3 Å²	139.3	87%	0.871	77%	0.769	S	S	*	*			trans	61.7	156	157.2	47.7	0	0	0	0	119.5
179	A	33.4	Very low	32.4	Very low	90 Å²	90	139.1 Å²	139.1	74%	0.744	76%	0.763	S	S	*	*			cis	-154.5	169.9	-4.8	0	0	0	0	0	112.5
180	F	27.5	Very low	32.3	Very low	191 Å²	191	135.3 Å²	135.3	84%	0.838	76%	0.76	S	S	*	*			trans	-52.4	157.3	173.9	-67.6	-106.1	0	0	0	116.6
181	M	34.4	Very low	32.2	Very low	176 Å²	176	140.1 Å²	140.1	87%	0.867	77%	0.766	S	S	*	*				-164.8	159.9	120.5	-100.4	-87.8	115.5	0	0	111.9
182	T	27.7	Very low	32.1	Very low	101 Å²	101	137.5 Å²	137.5	62%	0.62	76%	0.758	S	S	*	*			trans	-116.9	-179.8	-158.5	40.2	0	0	0	0	114.1
183	S	30.6	Very low	31.7	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	76%	0.755	S	S	*	*			trans	78.9	156.2	153.5	81.5	0	0	0	0	117.7
184	H	31.2	Very low	31.4	Very low	166 Å²	166	134 Å²	134	77%	0.769	76%	0.755	S	S	*	*			cis	-164.5	179.4	-24	-111.8	-58.4	0	0	0	108.1
185	H	32.9	Very low	31.3	Very low	166 Å²	166	134 Å²	134	77%	0.769	75%	0.754	S	S	*	*			trans	70.5	120.7	172.9	-64.5	-82.5	0	0	0	116
186	A	31.3	Very low	31.4	Very low	78 Å²	78	138 Å²	138	65%	0.645	76%	0.758	S	S	*	*			cis	69.9	111.3	47	0	0	0	0	0	113.2
187	D	33.9	Very low	31.3	Very low	156 Å²	156	135.2 Å²	135.2	83%	0.834	75%	0.75	S	S	*	*				-165.1	160.7	109.6	-103.4	-28.9	0	0	0	115
188	T	29.3	Very low	31.2	Very low	105 Å²	105	135.3 Å²	135.3	64%	0.644	75%	0.751	S	S	*	*			trans	-82.9	148.1	-172	48	0	0	0	0	113.8
189	N	32.1	Very low	31.3	Very low	130 Å²	130	134.1 Å²	134.1	70%	0.695	74%	0.744	S	S	*	*				155.1	145.4	112.4	-84.5	-49.8	0	0	0	117.4
190	N	32.5	Very low	31.4	Very low	149 Å²	149	136.1 Å²	136.1	80%	0.797	75%	0.746	S	S	*	*			trans	74.2	114.6	145.9	-61.5	-18.6	0	0	0	123.2
191	Y	26.7	Very low	31.5	Very low	223 Å²	223	136.4 Å²	136.4	88%	0.875	74%	0.743	S	S	*	*			trans	-54.8	170	152.4	-81.9	-86.4	0	0	0	113.1
192	P	33.5	Very low	31.5	Very low	107 Å²	107	132 Å²	132	70%	0.695	73%	0.73	S	S	*	*			cis	-145.7	167.5	29.5	43.4	-23.5	0	0	0	120
193	T	28.3	Very low	31.6	Very low	127 Å²	127	133.7 Å²	133.7	78%	0.779	74%	0.735	S	S	*	*			trans	36.1	108.9	149.5	55.4	0	0	0	0	120.5
194	S	31.9	Very low	31.9	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	73%	0.734	S	S	*	*			trans	-140.4	114.5	151.9	-175	0	0	0	0	110.4	K196	S194-K196 PolarHBondContact O-N 3.39Å
195	I	31.9	Very low	31.9	Very low	163 Å²	163	140.1 Å²	140.1	84%	0.836	74%	0.741	S	S	*	*			trans	-78.7	104.1	-179.6	-60.7	170.1	0	0	0	108.6
196	K	33.2	Very low	32	Very low	190 Å²	190	140.2 Å²	140.2	83%	0.826	74%	0.742	S	S	*	*			trans	-98.9	106.2	172.6	-79.5	-175.4	175.7	177.2	0	111.4	S194 S198	S194-K196 PolarHBondContact O-N 3.39Å; K196-S198 PolarHBondContact O-N 3.28Å; K196-S198 VanDerWaalsContact O-N 3.1Å
197	S	31.6	Very low	32	Very low	90 Å²	90	148 Å²	148	63%	0.629	76%	0.755	S	S	*	*			trans	-65.6	102.7	169.8	-61.8	0	0	0	0	110.8	T199	S197-T199 PolarHBondContact O-N 3.47Å
198	S	29.5	Very low	31.9	Very low	84 Å²	84	145.3 Å²	145.3	59%	0.587	75%	0.754	S	S	*	*			trans	-79.2	115.9	171.2	178.8	0	0	0	0	111	K196 R523	K196-S198 PolarHBondContact O-N 3.28Å; K196-S198 VanDerWaalsContact O-N 3.1Å; S198-R523 PolarHBondContact O-NH2 3.45Å
199	T	34.3	Very low	31.9	Very low	118 Å²	118	148.5 Å²	148.5	72%	0.724	77%	0.767	S	S	*	*			trans	-102.1	108.5	166.8	4.9	0	0	0	0	108.8	S197 Y201	S197-T199 PolarHBondContact O-N 3.47Å; T199-Y201 PolarHBondContact O-N 3.34Å; T199-Y201 VanDerWaalsContact O-N 3.16Å
200	V	34.3	Very low	31.8	Very low	132 Å²	132	147.2 Å²	147.2	80%	0.8	77%	0.768	S	S	*	*			trans	-78	101.9	176.4	-179.8	0	0	0	0	109.5	S202	V200-S202 PolarHBondContact O-N 3.26Å
201	Y	31.1	Very low	32.1	Very low	196 Å²	196	148.2 Å²	148.2	77%	0.769	77%	0.773	S	S	*	*			trans	-78	100.1	169.7	-109.2	-98.7	0	0	0	110.1	T199 N203	T199-Y201 PolarHBondContact O-N 3.34Å; T199-Y201 VanDerWaalsContact O-N 3.16Å; Y201-N203 PolarHBondContact O-N 3.17Å; Y201-N203 VanDerWaalsContact O-N 3.08Å
202	S	34.6	Very low	32.3	Very low	84 Å²	84	141.2 Å²	141.2	59%	0.587	77%	0.768	S	S	*	*			trans	-74.6	91.1	167.5	166.1	0	0	0	0	110	V200 F204	V200-S202 PolarHBondContact O-N 3.26Å; S202-F204 PolarHBondContact O-N 3.36Å
203	N	29.6	Very low	32.3	Very low	136 Å²	136	142.4 Å²	142.4	73%	0.727	78%	0.777	S	S	*	*			trans	-70.7	87.3	175.8	-79.4	-31.9	0	0	0	112.2	Y201	Y201-N203 PolarHBondContact O-N 3.17Å; Y201-N203 VanDerWaalsContact O-N 3.08Å
204	F	35.6	Very low	32.5	Very low	163 Å²	163	146.2 Å²	146.2	72%	0.715	78%	0.783	S	S	*	*			trans	-116.8	72.5	161.3	-86.1	-82.1	0	0	0	110.7	S202	S202-F204 PolarHBondContact O-N 3.36Å
205	R	32.4	Very low	32.8	Very low	243 Å²	243	149.7 Å²	149.7	92%	0.917	79%	0.793	S	S	*	*			trans	-121	87.3	161.3	-84.2	-167	172.1	-155.4	-0.7	109.6
206	H	34.8	Very low	32.7	Very low	167 Å²	167	146.4 Å²	146.4	77%	0.773	78%	0.784	S	S	*	*			trans	-122.6	128.7	166.2	-86.3	-56	0	0	0	111.8
207	R	31.3	Very low	32.8	Very low	243 Å²	243	143.7 Å²	143.7	92%	0.917	78%	0.778	S	S	*	*			trans	66.5	80	156.2	-59.2	-178	-179.4	-165.1	0.6	118.2
208	A	30.8	Very low	33	Very low	99 Å²	99	146.6 Å²	146.6	82%	0.818	79%	0.787	S	S	*	*			trans	-151.4	83.7	138.3	0	0	0	0	0	109.7
209	N	30.2	Very low	33.2	Very low	171 Å²	171	151.4 Å²	151.4	91%	0.914	79%	0.792	S	S	*	*			trans	-155.7	106.6	169.9	-110.4	-4.9	0	0	0	109.4
210	S	30.8	Very low	33.3	Very low	104 Å²	104	151.7 Å²	151.7	73%	0.727	80%	0.797	S	S	*	*			trans	-162.8	132.6	161.3	-170.2	0	0	0	0	108.4
211	L	37	Very low	33.1	Very low	170 Å²	170	153.4 Å²	153.4	89%	0.89	79%	0.79	S	S	*	*			trans	64.5	110.2	-178.6	-46.4	172.3	0	0	0	112.7
212	G	31.8	Very low	33.4	Very low	75 Å²	75	151.1 Å²	151.1	77%	0.773	80%	0.797	S	S	*	*				101.6	128.7	62.9	0	0	0	0	0	107.9
213	C	33.8	Very low	33.2	Very low	132 Å²	132	156 Å²	156	89%	0.892	80%	0.802	S	S	*	*			cis	-141.7	162.8	14.8	-72.8	0	0	0	0	111.9
214	K	32.9	Very low	33.5	Very low	208 Å²	208	155.4 Å²	155.4	90%	0.904	81%	0.806	S	S	*	*			trans	-75.2	136.8	166.5	-64.9	173.9	177.4	176.5	0	110
215	L	37.9	Very low	33.4	Very low	176 Å²	176	154.5 Å²	154.5	92%	0.921	80%	0.803	S	S	*	*			trans	-154.6	118.9	144	-105.2	170.2	0	0	0	108.6
216	S	29.6	Very low	33.4	Very low	93 Å²	93	147 Å²	147	65%	0.65	79%	0.794	S	S	*	*			trans	-86.8	150.1	169.7	57.1	0	0	0	0	109.8
217	N	35.1	Very low	33.2	Very low	133 Å²	133	144.5 Å²	144.5	71%	0.711	80%	0.795	S	S	*	*				178.5	145.6	115.7	-86.9	-6	0	0	0	112.5
218	N	35.3	Very low	33.1	Very low	152 Å²	152	137.9 Å²	137.9	81%	0.813	79%	0.786	S	S	*	*			trans	69.3	102.5	153.2	-56.6	-9.3	0	0	0	119.9
219	R	34.3	Very low	33	Very low	184 Å²	184	143 Å²	143	69%	0.694	79%	0.79	S	S	*	*			trans	-69.8	164	150.9	-142.2	-179.6	179.7	-177	-2.4	109.1
220	P	36	Very low	32.8	Very low	125 Å²	125	138.4 Å²	138.4	81%	0.812	78%	0.783	S	S	*	*				-142.3	175	84.9	34.9	-17	0	0	0	115.8
221	Y	30.3	Very low	32.7	Very low	167 Å²	167	137.8 Å²	137.8	66%	0.655	78%	0.784	S	S	*	*			trans	-59.5	152.1	-178.3	-82.4	-101.1	0	0	0	115.8
222	T	38.4	Very low	32.3	Very low	149 Å²	149	136.1 Å²	136.1	91%	0.914	78%	0.781	S	S	*	*				-152.1	142.6	126	22.8	0	0	0	0	110
223	R	28.9	Very low	32.3	Very low	185 Å²	185	137.4 Å²	137.4	70%	0.698	78%	0.779	S	S	*	*			trans	-137.3	125.4	179.9	178	-165.5	-167.5	-172.2	15.4	108.8	H225	R223-H225 PolarHBondContact NH1-CE1 3.25Å; R223-H225 VanDerWaalsContact NH1-CE1 3.27Å; R223-H225 PolarHBondContact NH1-NE2 3.31Å
224	P	36.9	Very low	32.1	Very low	125 Å²	125	137.6 Å²	137.6	81%	0.812	77%	0.771	S	S	*	*			trans	-88.4	141.3	159.2	-9.8	28.4	0	0	0	110.8
225	H	32.9	Very low	32.1	Very low	143 Å²	143	134.1 Å²	134.1	66%	0.662	77%	0.767	S	S	*	*			trans	-92.9	174.6	175.5	-88.1	-123	0	0	0	111.9	R223	R223-H225 PolarHBondContact NH1-CE1 3.25Å; R223-H225 VanDerWaalsContact NH1-CE1 3.27Å; R223-H225 PolarHBondContact NH1-NE2 3.31Å
226	A	33.6	Very low	31.8	Very low	87 Å²	87	133.4 Å²	133.4	72%	0.719	75%	0.753	S	S	*	*			trans	92.1	98.5	150.3	0	0	0	0	0	119.5
227	S	28.9	Very low	31.9	Very low	114 Å²	114	135 Å²	135	80%	0.797	76%	0.761	S	S	*	*				66.3	141.9	125.5	64.9	0	0	0	0	122.4
228	S	29.1	Very low	32	Very low	104 Å²	104	132 Å²	132	73%	0.727	75%	0.75	S	S	*	*			trans	106.1	105.2	149.5	-151.1	0	0	0	0	117.3
229	F	29.3	Very low	32.1	Very low	206 Å²	206	129.3 Å²	129.3	90%	0.904	74%	0.735	S	S	*	*			trans	35.9	118.6	148.2	-67.8	-93.1	0	0	0	121.3
230	G	26.8	Very low	32.3	Very low	74 Å²	74	130 Å²	130	76%	0.763	74%	0.743	S	S	*	*			trans	110.8	104.7	131.9	0	0	0	0	0	118.6
231	A	27.9	Very low	32.5	Very low	91 Å²	91	128 Å²	128	75%	0.752	74%	0.737	S	S	*	*			trans	54.6	136.2	140.2	0	0	0	0	0	122.4
232	T	29	Very low	32.8	Very low	135 Å²	135	129.8 Å²	129.8	83%	0.828	74%	0.743	S	S	*	*			trans	80.7	139.5	159.3	71.4	0	0	0	0	119.9
233	S	30.8	Very low	32.9	Very low	103 Å²	103	129.3 Å²	129.3	72%	0.72	73%	0.734	S	S	*	*			trans	65.9	153.2	160.3	-98.8	0	0	0	0	118.1
234	D	30.8	Very low	33.7	Very low	136 Å²	136	128.2 Å²	128.2	73%	0.727	74%	0.737	S	S	*	*			cis	-143.5	135.9	6.2	-89.7	-51.7	0	0	0	111.9
235	V	31.8	Very low	33.9	Very low	135 Å²	135	130 Å²	130	82%	0.818	73%	0.734	S	S	*	*			trans	-147.2	77.4	150.3	-171.1	0	0	0	0	109.4
236	Y	32	Very low	34.2	Very low	161 Å²	161	134.5 Å²	134.5	63%	0.631	75%	0.745	S	S	*	*			trans	-152.9	78.1	169.8	-109.3	-72.1	0	0	0	114	S238 L239	Y236-S238 PolarHBondContact O-N 3.31Å; Y236-L239 HydrophobicContact CD1-CD1 4.21Å; Y236-L239 HydrophobicContact CE1-CD1 3.91Å
237	P	31.7	Very low	34.5	Very low	126 Å²	126	141.2 Å²	141.2	82%	0.818	75%	0.752	S	S	*	*			trans	-91.1	71.2	169.4	36	-31.6	0	0	0	111.3
238	S	37.8	Very low	35.1	Very low	70 Å²	70	143.9 Å²	143.9	49%	0.49	75%	0.752	S	S	.	*	S	Bend	trans	-160.1	-27.1	170.4	60.6	0	0	0	0	116.9	Y236	Y236-S238 PolarHBondContact O-N 3.31Å
239	L	36.7	Very low	35.7	Very low	96 Å²	96	147.1 Å²	147.1	50%	0.503	76%	0.758	S	S	.	*	S	Bend	trans	-93.8	-12.9	-170.2	-89.2	159.5	0	0	0	116	Y236 A241	Y236-L239 HydrophobicContact CD1-CD1 4.21Å; Y236-L239 HydrophobicContact CE1-CD1 3.91Å; L239-A241 PolarHBondContact O-N 3.17Å
240	K	39	Very low	35.9	Very low	198 Å²	198	147 Å²	147	86%	0.861	76%	0.76	S	S	*	*	S	Bend	trans	-77.1	-19.5	-177.3	-154.8	168.3	-176	176.6	0	114.1
241	A	41.1	Very low	36.2	Very low	82 Å²	82	146.5 Å²	146.5	68%	0.678	76%	0.755	S	S	*	*	S	Bend	trans	-82.9	-20.6	179	0	0	0	0	0	114.2	L239	L239-A241 PolarHBondContact O-N 3.17Å
242	R	35.6	Very low	36.8	Very low	205 Å²	205	147.7 Å²	147.7	77%	0.774	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	4	-170	-139.4	167.5	72.2	163.3	2.6	115
243	L	41.2	Very low	37.3	Very low	140 Å²	140	147.6 Å²	147.6	73%	0.733	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	-2.1	-178	-94.5	155.3	0	0	0	114.6
244	Q	45.2	Very low	37.6	Very low	161 Å²	161	147.6 Å²	147.6	75%	0.752	75%	0.754	S	S	*	*	S	Bend	trans	-96.9	-21.9	169.6	-77.9	-179.8	-40.9	0	0	113.4	R246	Q244-R246 VanDerWaalsContact C-N 3.28Å; Q244-R246 PolarHBondContact O-N 3.33Å
245	H	41.2	Very low	37.8	Very low	163 Å²	163	148.6 Å²	148.6	76%	0.755	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	0.8	-176.2	-156.7	-73.1	0	0	0	115
246	R	39.1	Very low	37.9	Very low	237 Å²	237	146.9 Å²	146.9	89%	0.894	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	22.2	-177.2	-138.6	-178.8	-167.8	-179	3.7	114.1	Q244	Q244-R246 VanDerWaalsContact C-N 3.28Å; Q244-R246 PolarHBondContact O-N 3.33Å
247	R	40.2	Very low	38.2	Very low	228 Å²	228	144.4 Å²	144.4	86%	0.86	76%	0.755	S	S	*	*	S	Bend	trans	-121.7	19.4	177.8	-72.8	-168.1	178.1	-172.1	0.9	114.1
248	Q	41.8	Very low	38.4	Very low	170 Å²	170	147.3 Å²	147.3	79%	0.794	76%	0.755	S	S	*	*	S	Bend	trans	-136.8	15.6	-173.4	-72.7	-171.4	-31.1	0	0	114.9
249	M	40.1	Very low	38.3	Very low	173 Å²	173	149.3 Å²	149.3	85%	0.852	77%	0.769	S	S	*	*	S	Bend	trans	-137.5	59.9	-177.7	-75.6	-67.9	-165.7	0	0	111.9
250	E	34.7	Very low	38.2	Very low	203 Å²	203	153.5 Å²	153.5	95%	0.949	78%	0.783	S	S	*	*			trans	-164.7	98.8	161.8	-116.4	163.7	-164.6	0	0	108.9
251	G	33.8	Very low	38	Very low	64 Å²	64	150 Å²	150	66%	0.66	78%	0.781	S	S	*	*			trans	-158.9	143	178.2	0	0	0	0	0	109.4
252	S	38.9	Very low	37.7	Very low	116 Å²	116	153.9 Å²	153.9	81%	0.811	78%	0.782	S	S	*	*			trans	67.3	131.2	-158.1	73	0	0	0	0	113.2
253	T	40	Very low	37.5	Very low	133 Å²	133	153.6 Å²	153.6	82%	0.816	78%	0.783	S	S	*	*			cis	-152.8	168.5	1.7	3.2	0	0	0	0	109.2
254	P	36.6	Very low	37.2	Very low	102 Å²	102	152.2 Å²	152.2	66%	0.662	78%	0.78	S	S	*	*			trans	-97.8	-166.9	-153.2	41.2	-41.1	0	0	0	116.6
255	D	35.7	Very low	36.3	Very low	157 Å²	157	152 Å²	152	84%	0.84	78%	0.783	S	S	*	*			trans	87.6	134.6	172.1	-55.5	-22	0	0	0	116
256	S	34.4	Very low	35.9	Very low	100 Å²	100	154.2 Å²	154.2	70%	0.699	79%	0.787	S	S	*	*			cis	-154.8	147.7	-7.1	102.8	0	0	0	0	112.2
257	V	37.6	Very low	35.5	Very low	108 Å²	108	151.4 Å²	151.4	66%	0.655	78%	0.783	S	S	*	*			trans	42.1	102.8	149.4	-158.6	0	0	0	0	120.3
258	F	35.1	Very low	35.1	Very low	187 Å²	187	151.2 Å²	151.2	82%	0.82	78%	0.783	S	S	*	*				-179.8	136	107.3	-102.8	-71	0	0	0	114
259	S	36.1	Very low	34.5	Very low	112 Å²	112	147.7 Å²	147.7	78%	0.783	78%	0.782	S	S	*	*			trans	62.3	101.7	153.8	-58.6	0	0	0	0	122.3
260	K	34.4	Very low	34.2	Very low	185 Å²	185	146.9 Å²	146.9	80%	0.804	78%	0.781	S	S	*	*			trans	-88.9	161.3	156.1	-67.3	177.6	176.9	173.6	0	111
261	P	36.1	Very low	34.1	Very low	124 Å²	124	142.8 Å²	142.8	81%	0.805	78%	0.775	S	S	*	*				-134.8	126.1	99	22.9	-4.7	0	0	0	112.4
262	K	34.6	Very low	33.8	Very low	164 Å²	164	149.9 Å²	149.9	71%	0.713	79%	0.787	S	S	*	*				68	103.6	85.6	-74.5	-161.9	174.9	179	0	115.3
263	Y	31.1	Very low	33.7	Very low	198 Å²	198	149.8 Å²	149.8	78%	0.776	79%	0.787	S	S	*	*			trans	57.2	144.7	130	-58.3	-70	0	0	0	119.2
264	T	34	Very low	33.3	Very low	112 Å²	112	151.7 Å²	151.7	69%	0.687	79%	0.786	S	S	*	*			cis	-159.4	151.1	24.5	-14.2	0	0	0	0	111
265	L	27.9	Very low	33	Very low	155 Å²	155	153.9 Å²	153.9	81%	0.812	79%	0.787	S	S	*	*			trans	-68.4	137.6	163.6	-86.9	149.5	0	0	0	110.9
266	Y	32.4	Very low	32.8	Very low	210 Å²	210	153.4 Å²	153.4	82%	0.824	79%	0.785	S	S	*	*			trans	-128.7	100.8	157.9	-96.7	-81.1	0	0	0	110.4
267	H	29.7	Very low	32.6	Very low	179 Å²	179	152.6 Å²	152.6	83%	0.829	78%	0.784	S	S	*	*			trans	-67	135.1	155.2	-94.8	-101	0	0	0	108.5
268	R	33.1	Very low	32.4	Very low	223 Å²	223	155.6 Å²	155.6	84%	0.842	79%	0.793	S	S	*	*			trans	-137.7	105.5	160.4	-152.2	172.7	-161.6	157.7	4.4	109.9
269	A	28.9	Very low	32.2	Very low	96 Å²	96	154.1 Å²	154.1	79%	0.793	79%	0.794	S	S	*	*			trans	-69.8	144.8	162.6	0	0	0	0	0	108.9
270	L	33.7	Very low	31.8	Very low	156 Å²	156	154.9 Å²	154.9	82%	0.817	79%	0.794	S	S	*	*			trans	-130.7	131	165.4	-75.6	176.5	0	0	0	109.7
271	S	31.5	Very low	31.8	Very low	117 Å²	117	151.6 Å²	151.6	82%	0.818	79%	0.794	S	S	*	*			trans	-75.2	161.8	-177	-65.8	0	0	0	0	112.9
272	K	29	Very low	31.5	Very low	214 Å²	214	153.9 Å²	153.9	93%	0.93	79%	0.793	S	S	*	*			trans	-81.3	121.3	169.5	-64.6	175.2	176.1	179.5	0	111.5
273	S	35.1	Very low	31.6	Very low	114 Å²	114	154.1 Å²	154.1	80%	0.797	80%	0.801	S	S	*	*			trans	179.5	148.7	159.3	49.9	0	0	0	0	106.8
274	H	32	Very low	31.6	Very low	173 Å²	173	150.9 Å²	150.9	80%	0.801	80%	0.797	S	S	*	*			cis	-149.9	155.7	-12.8	179.7	-63.1	0	0	0	105.5
275	E	31.3	Very low	31.6	Very low	148 Å²	148	151.6 Å²	151.6	69%	0.692	80%	0.801	S	S	*	*			trans	-60.4	154.7	177.9	-67.2	168.6	109.3	0	0	115.1
276	N	30	Very low	31.9	Very low	146 Å²	146	154.9 Å²	154.9	78%	0.781	80%	0.803	S	S	*	*			trans	59.2	115.7	148.6	-61.8	-17.5	0	0	0	120
277	A	30.9	Very low	32	Very low	84 Å²	84	148.6 Å²	148.6	69%	0.694	79%	0.79	S	S	*	*				179.4	168.9	89.7	0	0	0	0	0	112.8
278	M	33.4	Very low	32.2	Very low	170 Å²	170	147.9 Å²	147.9	84%	0.837	79%	0.786	S	S	*	*			trans	81.7	89.4	160.7	-55.2	-55.7	170.6	0	0	120.4
279	N	31.2	Very low	32.2	Very low	157 Å²	157	142.3 Å²	142.3	84%	0.84	78%	0.782	S	S	*	*				77.9	133.2	111.5	-138.8	2	0	0	0	120.8
280	V	27.9	Very low	32.1	Very low	128 Å²	128	145.7 Å²	145.7	78%	0.776	79%	0.785	S	S	*	*			trans	-89.3	133.7	179.2	172.2	0	0	0	0	110.3
281	S	33.9	Very low	32.1	Very low	115 Å²	115	144.4 Å²	144.4	80%	0.804	79%	0.789	S	S	*	*			trans	-155.9	142.1	144.8	46.3	0	0	0	0	111.6
282	H	30.3	Very low	32.1	Very low	172 Å²	172	143.1 Å²	143.1	80%	0.796	79%	0.786	S	S	*	*			trans	-52.9	150.9	173.9	-85.8	-123	0	0	0	112.7
283	I	36.9	Very low	32.4	Very low	169 Å²	169	140.9 Å²	140.9	87%	0.867	78%	0.782	S	S	*	*				-154.8	136.3	116.6	-97.7	145.9	0	0	0	109.3
284	D	29.8	Very low	32.3	Very low	131 Å²	131	142.3 Å²	142.3	70%	0.701	78%	0.78	S	S	*	*			trans	-83.6	143.6	178.7	-175.8	4.5	0	0	0	110.3
285	T	35.9	Very low	32.5	Very low	126 Å²	126	139.7 Å²	139.7	77%	0.773	78%	0.779	S	S	*	*			trans	174.5	115.1	136.3	27.4	0	0	0	0	113.3
286	R	32.9	Very low	32.9	Very low	225 Å²	225	140.5 Å²	140.5	85%	0.849	78%	0.782	S	S	*	*				29.8	133.3	127.3	-99.2	177.5	174.4	152	-2.1	121.6
287	S	34.7	Very low	33.3	Very low	78 Å²	78	142.4 Å²	142.4	55%	0.545	78%	0.783	S	S	.	*				107	115.5	126.2	-74.6	0	0	0	0	121.2
288	H	34.6	Very low	33.7	Very low	163 Å²	163	143.9 Å²	143.9	76%	0.755	79%	0.788	S	S	*	*			trans	58.5	106.4	138.6	-49.4	-45.5	0	0	0	118.8
289	S	31.8	Very low	34	Very low	107 Å²	107	140 Å²	140	75%	0.748	78%	0.778	S	S	*	*				87.6	104.7	79.9	-67.7	0	0	0	0	114.1
290	L	28.3	Very low	34.4	Very low	167 Å²	167	140.1 Å²	140.1	87%	0.874	78%	0.778	S	S	*	*			trans	34.1	113.4	143.3	-57.6	174.9	0	0	0	119.3
291	S	32.3	Very low	34.9	Very low	128 Å²	128	138.8 Å²	138.8	90%	0.895	77%	0.774	S	S	*	*				-158.5	140	128.7	-82.3	0	0	0	0	110.8
292	A	31.3	Very low	35.2	Very low	90 Å²	90	137.9 Å²	137.9	74%	0.744	77%	0.768	S	S	*	*			trans	-84.3	161.8	174.2	0	0	0	0	0	111.1
293	I	36.4	Very low	35.6	Very low	167 Å²	167	135.6 Å²	135.6	86%	0.856	77%	0.771	S	S	*	*				178	143.8	126.4	-89.1	150.1	0	0	0	110.6
294	L	32.9	Very low	35.7	Very low	145 Å²	145	130.8 Å²	130.8	76%	0.759	76%	0.763	S	S	*	*			trans	-19.9	151.8	-179.4	-89.9	54.9	0	0	0	122.4
295	P	35.6	Very low	36.1	Very low	118 Å²	118	131 Å²	131	77%	0.766	77%	0.769	S	S	*	*			trans	-96	154	169.7	38.4	-33.3	0	0	0	114
296	H	39.8	Very low	36.2	Very low	165 Å²	165	130.9 Å²	130.9	76%	0.764	77%	0.773	S	S	*	*			trans	-133.9	112.6	167.7	-93.4	-95.6	0	0	0	113.3
297	K	38.4	Very low	36.1	Very low	186 Å²	186	125.5 Å²	125.5	81%	0.809	77%	0.77	S	S	*	*			trans	35.5	148.7	141.3	-67.4	-177.6	174.8	179.9	0	122.8
298	S	39	Very low	36.7	Very low	114 Å²	114	127 Å²	127	80%	0.797	78%	0.778	S	S	*	*			trans	79.5	140.5	154.1	72.2	0	0	0	0	117
299	S	39.4	Very low	36.7	Very low	88 Å²	88	131.2 Å²	131.2	62%	0.615	79%	0.787	S	S	*	*			cis	-176.5	160.9	-9.2	41.9	0	0	0	0	111.3
300	L	40.7	Very low	37.1	Very low	161 Å²	161	132 Å²	132	84%	0.843	79%	0.787	S	S	*	*			trans	66.3	152.7	164.7	-55.8	138.5	0	0	0	114.2
301	S	38.6	Very low	37.7	Very low	100 Å²	100	130 Å²	130	70%	0.699	79%	0.785	S	S	*	*			cis	-170	167.7	-9.2	-101.9	0	0	0	0	107.5
302	S	40.3	Very low	38.2	Very low	95 Å²	95	129.5 Å²	129.5	66%	0.664	78%	0.778	S	S	*	*			cis	-169.6	141.5	-10.5	45.7	0	0	0	0	112.4
303	S	39	Very low	38.6	Very low	124 Å²	124	134.3 Å²	134.3	87%	0.867	79%	0.785	S	S	*	*			trans	65.7	142.4	140	66.5	0	0	0	0	124.7
304	G	37.9	Very low	38.6	Very low	68 Å²	68	130.9 Å²	130.9	70%	0.701	78%	0.776	S	S	*	*			trans	106.7	81.3	158.3	0	0	0	0	0	115.3
305	V	37.5	Very low	38.9	Very low	137 Å²	137	129.7 Å²	129.7	83%	0.83	78%	0.78	S	S	*	*				58.7	97.9	61.5	-163.3	0	0	0	0	114.7
306	S	38.1	Very low	39.3	Very low	122 Å²	122	130.1 Å²	130.1	85%	0.853	78%	0.782	S	S	*	*				171	147.6	123.5	-75.6	0	0	0	0	113.7
307	S	32	Very low	39.1	Very low	112 Å²	112	126.8 Å²	126.8	78%	0.783	78%	0.783	S	S	*	*			trans	-151.8	-177.6	179.2	-159.6	0	0	0	0	106.6
308	P	46	Very low	39.1	Very low	111 Å²	111	129.1 Å²	129.1	72%	0.721	79%	0.789	S	S	*	*				-124	173.7	-52.6	32	-16	0	0	0	113
309	R	35.6	Very low	39.1	Very low	250 Å²	250	129 Å²	129	94%	0.943	79%	0.785	S	S	*	*			trans	-160.3	160.4	149.5	-139.7	165.1	174.1	134.3	-1.8	116.1
310	V	40.8	Very low	39	Very low	124 Å²	124	135.8 Å²	135.8	75%	0.752	80%	0.797	S	S	*	*			trans	-140	133.1	-160.8	167.7	0	0	0	0	109.9
311	P	40.2	Very low	38.9	Very low	126 Å²	126	135.3 Å²	135.3	82%	0.818	79%	0.793	S	S	*	*				-151.5	171.3	104.6	39.4	-21	0	0	0	117.2
312	P	43.2	Very low	39.1	Very low	116 Å²	116	138.5 Å²	138.5	75%	0.753	80%	0.799	S	S	*	*			trans	-117.8	167	-179.6	41.9	-32.6	0	0	0	116.4
313	Q	39.2	Very low	39.1	Very low	192 Å²	192	138.2 Å²	138.2	90%	0.897	80%	0.802	S	S	*	*			trans	-176.2	163.2	163.3	-98.7	168.2	13.4	0	0	108.9
314	S	37.1	Very low	39.3	Very low	94 Å²	94	137.9 Å²	137.9	66%	0.657	80%	0.797	S	S	*	*			cis	-171.9	139.3	-22.4	52.2	0	0	0	0	114.5
315	S	39.5	Very low	39.3	Very low	120 Å²	120	139.7 Å²	139.7	84%	0.839	80%	0.799	S	S	*	*			trans	73.8	158.7	143.4	-59.3	0	0	0	0	123.8
316	P	42.5	Very low	39.6	Very low	127 Å²	127	138.3 Å²	138.3	83%	0.825	79%	0.793	S	S	*	*			trans	-134.2	177	-156.4	43.7	-26.5	0	0	0	118.1
317	A	36.6	Very low	39.5	Very low	95 Å²	95	139 Å²	139	79%	0.785	79%	0.787	S	S	*	*			trans	-162.8	121.1	161.6	0	0	0	0	0	118.5
318	Y	37.3	Very low	39.9	Very low	236 Å²	236	139.9 Å²	139.9	93%	0.925	78%	0.781	S	S	*	*			trans	27.4	159.7	146.2	-76.5	-95.8	0	0	0	128.4
319	P	38.9	Very low	39.4	Very low	111 Å²	111	141.6 Å²	141.6	72%	0.721	79%	0.785	S	S	*	*			trans	-127.7	180	-163.1	45.4	-30.8	0	0	0	117.8
320	R	37.5	Very low	39.4	Very low	230 Å²	230	134.6 Å²	134.6	87%	0.868	77%	0.774	S	S	*	*			trans	-163.9	144.3	157	-118.8	-167.7	176.5	136.4	2.3	118.5
321	M	39.9	Very low	39.3	Very low	152 Å²	152	137.4 Å²	137.4	75%	0.749	78%	0.779	S	S	*	*			trans	69.7	107.8	144.9	-77.3	178.3	76	0	0	126.2
322	M	41.8	Very low	39.1	Very low	166 Å²	166	136.5 Å²	136.5	82%	0.818	78%	0.775	S	S	*	*				65.3	111.1	111.9	-67.1	-63	-170.4	0	0	124.8
323	A	40	Very low	38.7	Very low	90 Å²	90	136.7 Å²	136.7	74%	0.744	78%	0.78	S	S	*	*				83	156.6	118.5	0	0	0	0	0	121.2
324	P	42.8	Very low	38.4	Very low	116 Å²	116	131.2 Å²	131.2	75%	0.753	78%	0.775	S	S	*	*			trans	-144.1	-169.3	-131.2	39.1	-15.2	0	0	0	118.7
325	S	39.6	Very low	38.4	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	79%	0.787	S	S	*	*			trans	89	170.6	151.4	-48.8	0	0	0	0	118.6
326	P	43.3	Very low	38	Very low	107 Å²	107	136.3 Å²	136.3	70%	0.695	79%	0.785	S	S	*	*				-138.1	175.6	-81	41.2	-24	0	0	0	114.8
327	N	35.9	Very low	37.5	Very low	137 Å²	137	136.2 Å²	136.2	73%	0.733	79%	0.787	S	S	*	*			trans	173.8	132.8	131.5	-97.6	-15.3	0	0	0	117.5
328	I	39.3	Very low	37.4	Very low	130 Å²	130	136.5 Å²	136.5	67%	0.667	79%	0.79	S	S	*	*				71.7	122.7	129.2	-62.3	169.7	0	0	0	122.3
329	N	35.5	Very low	37.1	Very low	148 Å²	148	128.8 Å²	128.8	79%	0.791	78%	0.781	S	S	*	*			trans	106.5	138.2	141.2	-89.7	-5.3	0	0	0	124.3
330	S	37.4	Very low	37	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	79%	0.791	S	S	*	*			trans	82.2	87.6	149.7	-59.8	0	0	0	0	121.6
331	Q	37.2	Very low	36.7	Very low	183 Å²	183	129.3 Å²	129.3	86%	0.855	79%	0.789	S	S	*	*				37.9	124.3	124.3	-67	-177.9	-10.4	0	0	122.4
332	S	36.2	Very low	36.4	Very low	106 Å²	106	132.3 Å²	132.3	74%	0.741	80%	0.798	S	S	*	*			trans	89	127.5	136.4	76	0	0	0	0	121.5
333	S	34.8	Very low	36.1	Very low	120 Å²	120	129.8 Å²	129.8	84%	0.839	80%	0.797	S	S	*	*			trans	48.7	114.3	158.7	58.8	0	0	0	0	119.7
334	G	34.3	Very low	35.8	Very low	78 Å²	78	131.2 Å²	131.2	80%	0.804	80%	0.798	S	S	*	*			trans	178.6	122.7	166.4	0	0	0	0	0	113.3
335	F	35.4	Very low	35.4	Very low	208 Å²	208	134.8 Å²	134.8	91%	0.912	81%	0.805	S	S	*	*			trans	-70.2	164.9	177.8	-79.7	-103.3	0	0	0	113.8
336	S	31.9	Very low	34.9	Very low	112 Å²	112	136.5 Å²	136.5	78%	0.783	81%	0.811	S	S	*	*			trans	80.3	98.8	148.2	-62.9	0	0	0	0	121.1
337	S	32.3	Very low	34.5	Very low	126 Å²	126	137 Å²	137	88%	0.881	82%	0.817	S	S	*	*				45.6	90.4	115.4	-173.9	0	0	0	0	120.4
338	A	35.1	Very low	34.2	Very low	101 Å²	101	135.9 Å²	135.9	84%	0.835	82%	0.82	S	S	*	*				-156.3	131.6	129.2	0	0	0	0	0	106.2
339	G	30.5	Very low	34.1	Very low	73 Å²	73	137.8 Å²	137.8	75%	0.753	83%	0.83	S	S	*	*			cis	102.9	78.6	33.4	0	0	0	0	0	108.7
340	L	35.6	Very low	33.9	Very low	175 Å²	175	135.7 Å²	135.7	92%	0.916	83%	0.828	S	S	*	*			trans	-160.2	141.8	159.5	-107.5	170.9	0	0	0	110.9
341	Q	32.6	Very low	33.9	Very low	177 Å²	177	138 Å²	138	83%	0.827	83%	0.832	S	S	*	*			trans	-77.6	149.1	-169.4	-58.3	159.2	-44.1	0	0	112.9
342	K	33.8	Very low	33.7	Very low	216 Å²	216	136.3 Å²	136.3	94%	0.939	83%	0.829	S	S	*	*				-160.3	132.6	127.1	-109.4	161.5	-171.9	177	0	112.1
343	S	34.2	Very low	33.9	Very low	113 Å²	113	136 Å²	136	79%	0.79	83%	0.826	S	S	*	*			trans	-82.4	171.9	-176.7	-119.1	0	0	0	0	112.3
344	P	34.1	Very low	33.8	Very low	120 Å²	120	133.8 Å²	133.8	78%	0.779	82%	0.823	S	S	*	*			trans	-82.4	154.2	-147.6	33	-38.2	0	0	0	114.4
345	Q	33.9	Very low	33.9	Very low	190 Å²	190	134.9 Å²	134.9	89%	0.888	82%	0.818	S	S	*	*			trans	-123.3	129.2	163.8	-74.9	-168.8	-21	0	0	111.3
346	T	29.5	Very low	34.2	Very low	144 Å²	144	132.6 Å²	132.6	88%	0.883	82%	0.816	S	S	*	*			trans	-73.5	128.2	174.5	49	0	0	0	0	111
347	S	34.9	Very low	34.9	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	82%	0.815	S	S	*	*			trans	-136.3	105.4	161.5	44.9	0	0	0	0	110.2
348	S	30.4	Very low	35.3	Very low	114 Å²	114	135.3 Å²	135.3	80%	0.797	81%	0.813	S	S	*	*			trans	-74.2	123.9	172.6	48.7	0	0	0	0	110.9
349	L	36.7	Very low	35.9	Very low	169 Å²	169	137 Å²	137	89%	0.885	81%	0.807	S	S	*	*			trans	-129.8	100.8	157	-83.6	172.5	0	0	0	109.3
350	S	30.7	Very low	35.9	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	80%	0.802	S	S	*	*			trans	-85.8	112	173.4	48	0	0	0	0	110.2	D352	S350-D352 PolarHBondContact O-N 3.13Å
351	N	38	Very low	36.1	Very low	152 Å²	152	137.8 Å²	137.8	81%	0.813	79%	0.794	S	S	*	*			trans	-92.7	78.8	159.6	-78.8	14.6	0	0	0	108.8	S353	N351-S353 PolarHBondContact O-N 2.91Å
352	D	33	Very low	36.1	Very low	147 Å²	147	135.6 Å²	135.6	79%	0.786	79%	0.793	S	S	*	*			trans	-82.3	93.2	161.9	-175.5	8.1	0	0	0	107.8	S350	S350-D352 PolarHBondContact O-N 3.13Å
353	S	41	Very low	35.8	Very low	98 Å²	98	127.3 Å²	127.3	69%	0.685	77%	0.769	S	S	*	*			trans	-102.4	76.1	171.9	-63.4	0	0	0	0	109.1	N351 S355	N351-S353 PolarHBondContact O-N 2.91Å; S353-S355 VanDerWaalsContact C-N 3.33Å; S353-S355 PolarHBondContact O-N 2.9Å
354	G	32.7	Very low	35.7	Very low	75 Å²	75	132.7 Å²	132.7	77%	0.773	77%	0.773	S	S	*	*			trans	-67.1	88.7	167.1	0	0	0	0	0	111.2
355	S	36.9	Very low	35.3	Very low	100 Å²	100	133 Å²	133	70%	0.699	78%	0.778	S	S	*	*			trans	-144.2	81.6	169.6	61.7	0	0	0	0	109.5	S353	S353-S355 VanDerWaalsContact C-N 3.33Å; S353-S355 PolarHBondContact O-N 2.9Å
356	D	41.6	Very low	35.3	Very low	161 Å²	161	130 Å²	130	86%	0.861	77%	0.772	S	S	*	*			trans	-132.5	84.1	167.8	-152.7	16.1	0	0	0	105.7
357	E	45.3	Very low	35.3	Very low	165 Å²	165	128.7 Å²	128.7	77%	0.771	77%	0.767	S	S	*	*			trans	-65.4	146.9	-178.9	-68.4	-176.8	134.3	0	0	110.6	I359	E357-I359 PolarHBondContact O-N 3Å
358	P	41.4	Very low	35	Very low	129 Å²	129	130.7 Å²	130.7	84%	0.838	77%	0.766	S	S	*	*			trans	-71.2	95.8	172	30.7	-32.6	0	0	0	109.1	D360	P358-D360 PolarHBondContact O-N 3.39Å
359	I	46.4	Very low	34.9	Very low	137 Å²	137	130.1 Å²	130.1	70%	0.703	76%	0.762	S	S	*	*			trans	-62.4	107.4	169.2	-83.4	175.5	0	0	0	108.8	E357 L361	E357-I359 PolarHBondContact O-N 3Å; I359-L361 HydrophobicContact CG2-CD1 3.74Å; I359-L361 HydrophobicContact CG2-CD2 4.16Å; I359-L361 HydrophobicContact CG2-CG 3.58Å
360	D	31.7	Very low	34.5	Very low	123 Å²	123	129.6 Å²	129.6	66%	0.658	76%	0.76	S	S	*	*			trans	-75	118.5	171.5	-168.1	-17	0	0	0	108.6	P358 T362	P358-D360 PolarHBondContact O-N 3.39Å; D360-T362 WeakPolarHBondContact OD1-CB 3.47Å; D360-T362 PolarHBondContact OD1-N 2.92Å; D360-T362 VanDerWaalsContact OD1-N 3.09Å; D360-T362 PolarHBondContact OD1-OG1 3.14Å
361	L	39.9	Very low	34.5	Very low	141 Å²	141	132.3 Å²	132.3	74%	0.738	76%	0.764	S	S	*	*			trans	-121.1	43.3	176.7	-71.8	171	0	0	0	111.2	I359 G363	I359-L361 HydrophobicContact CG2-CD1 3.74Å; I359-L361 HydrophobicContact CG2-CD2 4.16Å; I359-L361 HydrophobicContact CG2-CG 3.58Å; L361-G363 PolarHBondContact O-N 3.11Å
362	T	31.7	Very low	34.2	Very low	132 Å²	132	131 Å²	131	81%	0.81	76%	0.762	S	S	*	*			trans	-73.5	62	158.4	49.9	0	0	0	0	111.4	D360	D360-T362 WeakPolarHBondContact OD1-CB 3.47Å; D360-T362 PolarHBondContact OD1-N 2.92Å; D360-T362 VanDerWaalsContact OD1-N 3.09Å; D360-T362 PolarHBondContact OD1-OG1 3.14Å
363	G	27.8	Very low	33.9	Very low	42 Å²	42	130.9 Å²	130.9	43%	0.433	76%	0.761	S	S	.	*			trans	-174.5	151.4	177.8	0	0	0	0	0	115.3	L361	L361-G363 PolarHBondContact O-N 3.11Å
364	Y	32	Very low	33.5	Very low	226 Å²	226	132.9 Å²	132.9	89%	0.886	77%	0.77	S	S	*	*			trans	74.8	77.5	171.7	-51.3	-71.6	0	0	0	117.3
365	S	26.9	Very low	33.5	Very low	125 Å²	125	138.7 Å²	138.7	87%	0.874	77%	0.774	S	S	*	*			trans	-58.9	132.5	154.7	50	0	0	0	0	112.2
366	V	32.9	Very low	33	Very low	127 Å²	127	139.2 Å²	139.2	77%	0.77	78%	0.777	S	S	*	*			trans	-129.8	142.8	170.9	178.3	0	0	0	0	108.5
367	P	30.2	Very low	32.6	Very low	118 Å²	118	138.6 Å²	138.6	77%	0.766	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-75.9	149.9	-162.1	-13.3	29	0	0	0	114.2
368	I	28.5	Very low	32.1	Very low	159 Å²	159	135.5 Å²	135.5	82%	0.815	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-81.6	123.4	171.7	-62.2	167.7	0	0	0	108.9
369	S	28.3	Very low	31.3	Very low	102 Å²	102	135.7 Å²	135.7	71%	0.713	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-97.6	125.6	164.5	-49.5	0	0	0	0	109	I371	S369-I371 PolarHBondContact O-N 3.09Å
370	L	26.9	Very low	30.8	Very low	158 Å²	158	135.6 Å²	135.6	83%	0.827	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-65.5	132.5	169.5	-84.9	75.5	0	0	0	109.3
371	I	32.3	Very low	30.7	Very low	161 Å²	161	135.5 Å²	135.5	83%	0.826	77%	0.77	S	S	*	*			trans	-122.9	112.2	160.8	-59.6	-179.4	0	0	0	107.2	S369	S369-I371 PolarHBondContact O-N 3.09Å
372	T	30.9	Very low	30.2	Very low	126 Å²	126	135.1 Å²	135.1	77%	0.773	78%	0.776	S	S	*	*			trans	-75.8	149.6	177.9	-15.5	0	0	0	0	110.7	T374	T372-T374 PolarHBondContact O-N 2.79Å
373	N	27.3	Very low	30	Very low	144 Å²	144	132.1 Å²	132.1	77%	0.77	77%	0.771	S	S	*	*			trans	-61	129.4	-178.2	-70.7	-27.6	0	0	0	113.6
374	T	32	Very low	30.2	Very low	140 Å²	140	136.6 Å²	136.6	86%	0.859	79%	0.79	S	S	*	*			trans	-142.3	113.1	141.6	35.3	0	0	0	0	109.4	T372	T372-T374 PolarHBondContact O-N 2.79Å
375	F	31.8	Very low	30.1	Very low	197 Å²	197	133.1 Å²	133.1	86%	0.864	79%	0.787	S	S	*	*			trans	-81	129.4	171.6	-96.1	-104.3	0	0	0	109.5
376	S	27.3	Very low	30.2	Very low	110 Å²	110	133.8 Å²	133.8	77%	0.769	78%	0.78	S	S	*	*			trans	-120.4	116.3	157.3	48.9	0	0	0	0	108	P378	S376-P378 WeakPolarHBondContact O-CD 3.36Å
377	L	33.3	Very low	30.1	Very low	149 Å²	149	135.5 Å²	135.5	78%	0.78	78%	0.784	S	S	*	*			trans	-81.4	119.2	-176.6	-164.3	78.2	0	0	0	108.7	T379	L377-T379 PolarHBondContact O-N 3.16Å; L377-T379 VanDerWaalsContact O-N 3.14Å
378	P	34	Very low	30.2	Very low	100 Å²	100	137.4 Å²	137.4	65%	0.649	78%	0.782	S	S	*	*			trans	-74.6	107.7	173.5	28.8	-31.6	0	0	0	109.3	S376 I380	S376-P378 WeakPolarHBondContact O-CD 3.36Å; P378-I380 PolarHBondContact O-N 2.85Å
379	T	25.6	Very low	30.2	Very low	132 Å²	132	138.3 Å²	138.3	81%	0.81	79%	0.789	S	S	*	*			trans	-58	118.2	165.5	-57.1	0	0	0	0	109	L377	L377-T379 PolarHBondContact O-N 3.16Å; L377-T379 VanDerWaalsContact O-N 3.14Å
380	I	35.7	Very low	30.5	Very low	135 Å²	135	135.8 Å²	135.8	69%	0.692	78%	0.779	S	S	*	*			trans	-122.2	105.3	175.4	-59.4	178.6	0	0	0	109.1	P378	P378-I380 PolarHBondContact O-N 2.85Å
381	T	30	Very low	31.5	Very low	121 Å²	121	136 Å²	136	74%	0.742	78%	0.78	S	S	*	*			trans	-58.9	139.1	172.4	-7.5	0	0	0	0	110.9	G383	T381-G383 PolarHBondContact O-N 3.34Å
382	P	29.7	Very low	32.7	Very low	134 Å²	134	135.4 Å²	135.4	87%	0.87	77%	0.772	S	S	*	*	S	Bend	trans	-76.7	110.6	178.6	30.1	-33.1	0	0	0	111.2
383	G	27.3	Very low	34.7	Very low	69 Å²	69	131.5 Å²	131.5	71%	0.711	75%	0.749	S	S	*	*			trans	114.1	84.4	159.2	0	0	0	0	0	116.8	T381	T381-G383 PolarHBondContact O-N 3.34Å
384	V	32.4	Very low	37.4	Very low	135 Å²	135	129.3 Å²	129.3	82%	0.818	73%	0.731	S	S	*	*			trans	-139.2	130.2	140.3	-175.5	0	0	0	0	108.1	N386	V384-N386 PolarHBondContact O-N 2.8Å; V384-N386 VanDerWaalsContact O-N 3.16Å
385	N	28.3	Very low	40	Very low	154 Å²	154	123 Å²	123	82%	0.824	69%	0.692	S	S	*	*			trans	-73.2	102.5	176.1	-64	-34.5	0	0	0	109.9
386	N	29	Very low	42.6	Very low	138 Å²	138	117.2 Å²	117.2	74%	0.738	67%	0.668	S	S	*	*			trans	-103.3	84.3	173.3	-123.1	-12.4	0	0	0	111	V384 Q388	V384-N386 PolarHBondContact O-N 2.8Å; V384-N386 VanDerWaalsContact O-N 3.16Å; N386-Q388 PolarHBondContact O-N 2.74Å
387	I	32.4	Very low	45.4	Very low	164 Å²	164	112.8 Å²	112.8	84%	0.841	64%	0.635	S	S	*	*			trans	-78.2	75.5	171.2	-57.4	168.5	0	0	0	108
388	Q	32.3	Very low	47.8	Very low	158 Å²	158	106.3 Å²	106.3	74%	0.738	60%	0.603	S	S	*	*	S	Bend	trans	-143.4	97.8	170.9	-69.4	-164.7	4	0	0	111.6	N386 G390	N386-Q388 PolarHBondContact O-N 2.74Å; Q388-G390 VanDerWaalsContact C-N 3.35Å; Q388-G390 PolarHBondContact O-N 3.05Å
389	N	28.1	Very low	50.1	Low	178 Å²	178	110.8 Å²	110.8	95%	0.952	61%	0.612	S	S	*	*			trans	32.9	47.1	148.2	-65.7	-11.4	0	0	0	119.5
390	G	35.2	Very low	52.7	Low	48 Å²	48	113.7 Å²	113.7	50%	0.495	61%	0.614	S	S	.	*			trans	-98.6	98.4	164.6	0	0	0	0	0	110.7	Q388 F392	Q388-G390 VanDerWaalsContact C-N 3.35Å; Q388-G390 PolarHBondContact O-N 3.05Å; G390-F392 WeakPolarHBondContact O-CD2 3.43Å; G390-F392 PolarHBondContact O-N 2.7Å
391	N	47.6	Very low	54.8	Low	162 Å²	162	108.5 Å²	108.5	87%	0.866	59%	0.589	S	S	*	*			trans	-75.5	70.3	-175.1	-162.3	23.5	0	0	0	111.9	P393	N391-P393 WeakPolarHBondContact O-CD 3.4Å
392	F	56.1	Low	57.2	Low	149 Å²	149	103.5 Å²	103.5	65%	0.654	56%	0.56	S	S	*	*			trans	-65.1	118.6	172.8	-69.5	-76.6	0	0	0	109.1	G390 Y394	G390-F392 WeakPolarHBondContact O-CD2 3.43Å; G390-F392 PolarHBondContact O-N 2.7Å; F392-Y394 PolarHBondContact O-N 2.85Å
393	P	74.5	Confident	59.5	Low	44 Å²	44	106.9 Å²	106.9	29%	0.286	56%	0.555	S	S	.	*			trans	-65.2	115.9	178.3	25.4	-31.9	0	0	0	108.9	N391 E483 R523	N391-P393 WeakPolarHBondContact O-CD 3.4Å; P393-E483 HydrophobicContact CB-CG 4.05Å; P393-R523 HydrophobicContact CG-CB 4.25Å; P393-R523 PolarHBondContact O-N 3.2Å
394	Y	83.8	Confident	62	Low	98 Å²	98	107.2 Å²	107.2	38%	0.384	55%	0.545	S	S	.	.	B	Isolated β-bridge	trans	-60.1	157.1	164.1	-64.9	-62.7	0	0	0	109.5	F392 E483 D484 R520	F392-Y394 PolarHBondContact O-N 2.85Å; Y394-E483 WeakPolarHBondContact O-CA 3.43Å; Y394-D484 PolarHBondContact O-N 3.41Å; Y394-R520 HydrophobicContact CD1-CB 3.49Å; Y394-R520 VanDerWaalsContact CD1-CB 3.49Å; Y394-R520 HydrophobicContact CE1-CB 3.85Å; Y394-R520 HydrophobicContact CG-CB 4.13Å
395	V	86.2	Confident	64.4	Low	7 Å²	7	101 Å²	101	4%	0.042	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156	-174.8	-61.6	0	0	0	0	113.2	V481 V482 P521 R523	V395-V481 HydrophobicContact CB-CG1 3.4Å; V395-V481 HydrophobicContact CG1-CG1 3.91Å; V395-V481 HydrophobicContact CG2-CG1 3.67Å; V395-V482 CarbonylContact C-O 3.6Å; V395-V482 WeakPolarHBondContact CA-O 3.4Å; V395-P521 HydrophobicContact CG2-CB 3.97Å; V395-P521 HydrophobicContact CG2-CG 4.01Å; V395-P521 WeakPolarHBondContact CG2-O 3.4Å; V395-P521 PolarHBondContact N-O 2.95Å; V395-P521 WeakPolarHBondContact O-CG 3.15Å; V395-R523 HydrophobicContact CG1-CB 4.18Å
396	Q	86.2	Confident	67	Low	77 Å²	77	95.9 Å²	95.9	36%	0.36	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	165.1	176	61.2	-178.6	-32.6	0	0	110.2	V481 V482 D484	Q396-V481 WeakPolarHBondContact O-CA 3.35Å; Q396-V482 PolarHBondContact N-O 2.96Å; Q396-V482 PolarHBondContact O-N 3.28Å; Q396-D484 HydrophobicContact CB-CB 4.16Å; Q396-D484 HydrophobicContact CG-CB 3.99Å; Q396-D484 PolarHBondContact NE2-OD1 3.27Å
397	L	85.4	Confident	69.4	Low	16 Å²	16	92.7 Å²	92.7	8%	0.084	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	140.7	170.4	-64.5	174.6	0	0	0	110.8	K399 A402 V405 V479 L640 F641	L397-K399 PolarHBondContact O-N 2.9Å; L397-A402 HydrophobicContact CB-CB 4.23Å; L397-V405 HydrophobicContact CD1-CB 4.35Å; L397-V405 HydrophobicContact CD1-CG1 3.68Å; L397-V479 HydrophobicContact CD2-CG1 3.79Å; L397-L640 VanDerWaalsContact CD1-O 3.26Å; L397-L640 WeakPolarHBondContact CD1-O 3.24Å; L397-L640 HydrophobicContact CD2-CD1 4.19Å; L397-L640 HydrophobicContact CD2-CG 4.25Å; L397-L640 HydrophobicContact CG-CD1 4.13Å; L397-L640 HydrophobicContact CG-CG 4.37Å; L397-L640 WeakPolarHBondContact CG-O 3.35Å; L397-F641 HydrophobicContact CD1-CD1 3.91Å; L397-F641 HydrophobicContact CD1-CE1 4.35Å; L397-F641 HydrophobicContact CD2-CD1 4.26Å; L397-F641 HydrophobicContact CD2-CE1 3.9Å
398	A	84.7	Confident	72	Confident	14 Å²	14	90.6 Å²	90.6	12%	0.116	45%	0.452	C	S	.	.			trans	-57.1	137.5	173	0	0	0	0	0	110.8	K400 T401 A402 V480 V482	A398-K400 PolarHBondContact O-N 2.84Å; A398-T401 PolarHBondContact N-OG1 3.18Å; A398-T401 PolarHBondContact O-N 3.5Å; A398-T401 PolarHBondContact O-OG1 3.19Å; A398-A402 PolarHBondContact O-N 2.83Å; A398-V480 HydrophobicContact CB-CB 4.14Å; A398-V480 HydrophobicContact CB-CG1 3.99Å; A398-V480 PolarHBondContact N-O 2.85Å; A398-V482 HydrophobicContact CB-CG2 3.65Å
399	K	81.7	Confident	74.7	Confident	193 Å²	193	83.1 Å²	83.1	84%	0.839	42%	0.417	S	S	*	.	H	α-helix	trans	-53.5	-30.5	-179.8	-67.6	-177.6	179.5	178.1	0	113.6	L397	L397-K399 PolarHBondContact O-N 2.9Å
400	K	81.1	Confident	77.4	Confident	193 Å²	193	75.2 Å²	75.2	84%	0.839	38%	0.376	S	S	*	.	H	α-helix	trans	-71.8	-33.2	176.9	-65.6	-177.1	-179.7	177.1	0	113.1	A398	A398-K400 PolarHBondContact O-N 2.84Å
401	T	79.7	Confident	80	Confident	26 Å²	26	76.4 Å²	76.4	16%	0.16	37%	0.368	C	S	.	.	H	α-helix	trans	-92	-30	179.4	53.8	0	0	0	0	112.7	A398 R403 P404 V405 V480	A398-T401 PolarHBondContact N-OG1 3.18Å; A398-T401 PolarHBondContact O-N 3.5Å; A398-T401 PolarHBondContact O-OG1 3.19Å; T401-R403 PolarHBondContact O-N 2.84Å; T401-P404 VanDerWaalsContact O-CD 3.28Å; T401-P404 WeakPolarHBondContact O-CD 3.34Å; T401-V405 VanDerWaalsContact O-CB 3.27Å; T401-V405 WeakPolarHBondContact O-CB 3.25Å; T401-V405 WeakPolarHBondContact O-CG2 3.3Å; T401-V405 PolarHBondContact O-N 3.44Å; T401-V480 HydrophobicContact CG2-CB 3.92Å; T401-V480 HydrophobicContact CG2-CG2 3.99Å; T401-V480 PolarHBondContact OG1-O 3.46Å
402	A	79.9	Confident	82.1	Confident	17 Å²	17	69.3 Å²	69.3	14%	0.14	33%	0.329	C	S	.	.	H	α-helix	trans	-50.3	-55	-173.8	0	0	0	0	0	113.9	L397 A398 V405 Q406	L397-A402 HydrophobicContact CB-CB 4.23Å; A398-A402 PolarHBondContact O-N 2.83Å; A402-V405 PolarHBondContact O-N 3.29Å; A402-Q406 WeakPolarHBondContact O-CB 3.28Å; A402-Q406 WeakPolarHBondContact O-CG 3.09Å; A402-Q406 PolarHBondContact O-N 3.26Å
403	R	78.2	Confident	83.7	Confident	205 Å²	205	62.2 Å²	62.2	77%	0.774	30%	0.298	S	S	*	.	H	α-helix	trans	-62	-49.9	-176.7	-74.8	-175.6	-179.7	-172	0.8	113.8	T401 V405 Q406 A407	T401-R403 PolarHBondContact O-N 2.84Å; R403-V405 VanDerWaalsContact C-N 3.31Å; R403-V405 PolarHBondContact O-N 3.23Å; R403-Q406 PolarHBondContact O-N 3.48Å; R403-A407 PolarHBondContact O-N 2.8Å
404	P	80.3	Confident	84.4	Confident	75 Å²	75	63.5 Å²	63.5	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-57.6	-40.4	172.9	-27.3	33.5	0	0	0	113.9	T401 R408	T401-P404 VanDerWaalsContact O-CD 3.28Å; T401-P404 WeakPolarHBondContact O-CD 3.34Å; P404-R408 WeakPolarHBondContact O-CG 3.3Å; P404-R408 PolarHBondContact O-N 2.96Å
405	V	82.8	Confident	84.8	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-49.9	179.6	169.2	0	0	0	0	110.3	L397 T401 A402 R403 A407 R408 I409 L477 F641	L397-V405 HydrophobicContact CD1-CB 4.35Å; L397-V405 HydrophobicContact CD1-CG1 3.68Å; T401-V405 VanDerWaalsContact O-CB 3.27Å; T401-V405 WeakPolarHBondContact O-CB 3.25Å; T401-V405 WeakPolarHBondContact O-CG2 3.3Å; T401-V405 PolarHBondContact O-N 3.44Å; A402-V405 PolarHBondContact O-N 3.29Å; R403-V405 VanDerWaalsContact C-N 3.31Å; R403-V405 PolarHBondContact O-N 3.23Å; V405-A407 PolarHBondContact O-N 3.3Å; V405-R408 PolarHBondContact O-N 3.33Å; V405-R408 VanDerWaalsContact O-N 3.13Å; V405-I409 HydrophobicContact CB-CD1 4.45Å; V405-I409 HydrophobicContact CG1-CD1 3.29Å; V405-I409 HydrophobicContact CG1-CG1 4.32Å; V405-I409 WeakPolarHBondContact O-CD1 3.42Å; V405-I409 WeakPolarHBondContact O-CG1 3.26Å; V405-I409 PolarHBondContact O-N 3.28Å; V405-L477 HydrophobicContact CG1-CD2 4.17Å; V405-L477 HydrophobicContact CG2-CD1 4.05Å; V405-L477 HydrophobicContact CG2-CD2 4.34Å; V405-L477 HydrophobicContact CG2-CG 4.49Å; V405-F641 HydrophobicContact CG1-CD1 3.92Å; V405-F641 HydrophobicContact CG1-CE1 4.24Å
406	Q	82.2	Confident	85.1	Confident	48 Å²	48	62.8 Å²	62.8	22%	0.224	30%	0.297	C	S	.	.	H	α-helix	trans	-54.4	-47.1	178.5	-74.7	170.2	-18.7	0	0	112.7	A402 R403 R408 I409 T410 H644	A402-Q406 WeakPolarHBondContact O-CB 3.28Å; A402-Q406 WeakPolarHBondContact O-CG 3.09Å; A402-Q406 PolarHBondContact O-N 3.26Å; R403-Q406 PolarHBondContact O-N 3.48Å; Q406-R408 VanDerWaalsContact C-N 3.32Å; Q406-R408 PolarHBondContact O-N 3.38Å; Q406-I409 PolarHBondContact O-N 2.86Å; Q406-T410 PolarHBondContact O-N 3.44Å; Q406-T410 VanDerWaalsContact O-N 3.11Å; Q406-T410 PolarHBondContact O-OG1 3.27Å; Q406-H644 HydrophobicContact CG-CB 4.24Å; Q406-H644 PolarHBondContact O-NE2 3.01Å
407	A	78.3	Confident	85.3	Confident	70 Å²	70	59.2 Å²	59.2	58%	0.579	28%	0.28	S	S	*	.	H	α-helix	trans	-63.2	-36.4	179.4	0	0	0	0	0	112.9	R403 V405	R403-A407 PolarHBondContact O-N 2.8Å; V405-A407 PolarHBondContact O-N 3.3Å
408	R	87	Confident	85.5	Confident	121 Å²	121	59.5 Å²	59.5	46%	0.457	28%	0.282	S	S	.	.	H	α-helix	trans	-71	-42.3	174.8	-69.1	179.1	-177.4	-169.5	1.9	111.9	P404 V405 Q406 T410 E411 W412	P404-R408 WeakPolarHBondContact O-CG 3.3Å; P404-R408 PolarHBondContact O-N 2.96Å; V405-R408 PolarHBondContact O-N 3.33Å; V405-R408 VanDerWaalsContact O-N 3.13Å; Q406-R408 VanDerWaalsContact C-N 3.32Å; Q406-R408 PolarHBondContact O-N 3.38Å; R408-T410 PolarHBondContact O-N 2.9Å; R408-E411 PolarHBondContact O-N 3.05Å; R408-W412 HydrophobicContact CB-CD2 4.29Å; R408-W412 HydrophobicContact CB-CE3 4.26Å; R408-W412 HydrophobicContact CB-CH2 3.9Å; R408-W412 HydrophobicContact CB-CZ2 3.88Å; R408-W412 HydrophobicContact CB-CZ3 4.08Å; R408-W412 HydrophobicContact CG-CZ2 4.35Å; R408-W412 VanDerWaalsContact O-CG 3.31Å; R408-W412 PolarHBondContact O-N 3.4Å
409	I	88.9	Confident	85.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.8	-42.5	-178.6	-71.8	154	0	0	0	112.1	V405 Q406 E411 W412 L413 L468 M472 F641	V405-I409 HydrophobicContact CB-CD1 4.45Å; V405-I409 HydrophobicContact CG1-CD1 3.29Å; V405-I409 HydrophobicContact CG1-CG1 4.32Å; V405-I409 WeakPolarHBondContact O-CD1 3.42Å; V405-I409 WeakPolarHBondContact O-CG1 3.26Å; V405-I409 PolarHBondContact O-N 3.28Å; Q406-I409 PolarHBondContact O-N 2.86Å; I409-E411 VanDerWaalsContact C-N 3.29Å; I409-E411 PolarHBondContact O-N 3.44Å; I409-W412 HydrophobicContact CG1-CE3 4.26Å; I409-W412 HydrophobicContact CG1-CZ3 4.46Å; I409-W412 PolarHBondContact O-N 3Å; I409-L413 HydrophobicContact CG2-CD1 3.76Å; I409-L413 HydrophobicContact CG2-CG 4.19Å; I409-L413 WeakPolarHBondContact O-CB 3.35Å; I409-L413 WeakPolarHBondContact O-CG 3.27Å; I409-L413 PolarHBondContact O-N 3.41Å; I409-L468 HydrophobicContact CG2-CD1 4.36Å; I409-L468 HydrophobicContact CG2-CD2 4.32Å; I409-M472 HydrophobicContact CD1-CE 4.17Å; I409-M472 HydrophobicContact CG1-CE 3.99Å; I409-F641 HydrophobicContact CD1-CB 3.66Å; I409-F641 HydrophobicContact CD1-CD1 3.72Å; I409-F641 HydrophobicContact CD1-CG 4.07Å; I409-F641 WeakPolarHBondContact CD1-O 3.45Å
410	T	86.5	Confident	86.2	Confident	13 Å²	13	51.3 Å²	51.3	8%	0.08	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-42.3	177.3	-54.7	0	0	0	0	111.3	Q406 R408 R414 H644 L645 I650 L651	Q406-T410 PolarHBondContact O-N 3.44Å; Q406-T410 VanDerWaalsContact O-N 3.11Å; Q406-T410 PolarHBondContact O-OG1 3.27Å; R408-T410 PolarHBondContact O-N 2.9Å; T410-R414 PolarHBondContact O-N 2.81Å; T410-H644 PolarHBondContact OG1-NE2 2.81Å; T410-L645 HydrophobicContact CG2-CD2 4.17Å; T410-I650 HydrophobicContact CG2-CB 4.09Å; T410-I650 HydrophobicContact CG2-CD1 4.09Å; T410-I650 HydrophobicContact CG2-CG2 3.74Å; T410-L651 HydrophobicContact CG2-CD1 4.15Å; T410-L651 HydrophobicContact CG2-CG 4.2Å
411	E	88.1	Confident	86.5	Confident	73 Å²	73	42.1 Å²	42.1	34%	0.341	20%	0.203	S	C	.	.	H	α-helix	trans	-70.5	-39.8	176.6	175.1	56.6	-163.7	0	0	112.4	R408 I409 R414 Q415	R408-E411 PolarHBondContact O-N 3.05Å; I409-E411 VanDerWaalsContact C-N 3.29Å; I409-E411 PolarHBondContact O-N 3.44Å; E411-R414 WeakPolarHBondContact O-CB 3.32Å; E411-R414 PolarHBondContact O-N 2.82Å; E411-R414 IonicContact OE1-CZ 2.71Å; E411-R414 IonicContact OE1-NE 3.6Å; E411-R414 IonicContact OE1-NH2 3.46Å; E411-R414 PolarHBondContact OE1-NH2 3.33Å; E411-R414 IonicContact OE2-CZ 2.98Å; E411-R414 IonicContact OE2-NE 3.32Å; E411-R414 PolarHBondContact OE2-NE 3.01Å; E411-R414 IonicContact OE2-NH2 3.12Å; E411-Q415 VanDerWaalsContact O-CG 3.31Å; E411-Q415 WeakPolarHBondContact O-CG 3.41Å; E411-Q415 PolarHBondContact O-N 3.36Å; E411-Q415 PolarHBondContact OE1-NE2 3.1Å
412	W	91.9	Very high	86.8	Confident	12 Å²	12	44 Å²	44	5%	0.045	21%	0.212	C	C	.	.	H	α-helix	trans	-66.4	-39.3	175.2	-65.2	-30.1	0	0	0	112.4	R408 I409 R414 Q415 I416 L468 M472 N475 L477	R408-W412 HydrophobicContact CB-CD2 4.29Å; R408-W412 HydrophobicContact CB-CE3 4.26Å; R408-W412 HydrophobicContact CB-CH2 3.9Å; R408-W412 HydrophobicContact CB-CZ2 3.88Å; R408-W412 HydrophobicContact CB-CZ3 4.08Å; R408-W412 HydrophobicContact CG-CZ2 4.35Å; R408-W412 VanDerWaalsContact O-CG 3.31Å; R408-W412 PolarHBondContact O-N 3.4Å; I409-W412 HydrophobicContact CG1-CE3 4.26Å; I409-W412 HydrophobicContact CG1-CZ3 4.46Å; I409-W412 PolarHBondContact O-N 3Å; W412-R414 VanDerWaalsContact C-N 3.31Å; W412-R414 PolarHBondContact O-N 2.85Å; W412-Q415 PolarHBondContact O-N 3.18Å; W412-I416 WeakPolarHBondContact O-CB 3.33Å; W412-I416 WeakPolarHBondContact O-CD1 3.43Å; W412-I416 WeakPolarHBondContact O-CG1 3.46Å; W412-I416 PolarHBondContact O-N 3.17Å; W412-L468 HydrophobicContact CB-CD1 4.05Å; W412-L468 HydrophobicContact CE3-CD1 4.22Å; W412-M472 HydrophobicContact CE3-CG 4.28Å; W412-M472 HydrophobicContact CZ3-CG 3.76Å; W412-N475 HydrophobicContact CH2-CB 3.96Å; W412-N475 HydrophobicContact CZ2-CB 3.33Å; W412-L477 HydrophobicContact CH2-CB 4.21Å; W412-L477 HydrophobicContact CH2-CD1 3.93Å; W412-L477 HydrophobicContact CH2-CD2 4.4Å; W412-L477 HydrophobicContact CH2-CG 4.4Å; W412-L477 HydrophobicContact CZ3-CD1 4.38Å; W412-L477 HydrophobicContact CZ3-CD2 4.13Å
413	L	90.9	Very high	87.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-37.9	173	-75.6	171.4	0	0	0	111.5	I409 I416 T417 W464 L468 L645 L651	I409-L413 HydrophobicContact CG2-CD1 3.76Å; I409-L413 HydrophobicContact CG2-CG 4.19Å; I409-L413 WeakPolarHBondContact O-CB 3.35Å; I409-L413 WeakPolarHBondContact O-CG 3.27Å; I409-L413 PolarHBondContact O-N 3.41Å; L413-I416 PolarHBondContact O-N 2.88Å; L413-T417 WeakPolarHBondContact O-CB 3.49Å; L413-T417 PolarHBondContact O-N 3.11Å; L413-T417 PolarHBondContact O-OG1 2.96Å; L413-W464 HydrophobicContact CD2-CE3 3.93Å; L413-L468 HydrophobicContact CD2-CD1 4.48Å; L413-L468 HydrophobicContact CD2-CD2 4.26Å; L413-L468 HydrophobicContact CG-CD1 4.42Å; L413-L645 HydrophobicContact CD1-CD1 3.45Å; L413-L645 VanDerWaalsContact CD1-CD1 3.45Å; L413-L651 HydrophobicContact CB-CD1 3.67Å; L413-L651 HydrophobicContact CD1-CD1 4.15Å
414	R	89.5	Confident	87.5	Confident	72 Å²	72	33.8 Å²	33.8	27%	0.272	17%	0.171	S	C	.	.	H	α-helix	trans	-59.1	-50.2	171.5	-162.6	-167.7	64.7	67.9	3.8	111.2	T410 E411 W412 T417 E418 L651 F655	T410-R414 PolarHBondContact O-N 2.81Å; E411-R414 WeakPolarHBondContact O-CB 3.32Å; E411-R414 PolarHBondContact O-N 2.82Å; E411-R414 IonicContact OE1-CZ 2.71Å; E411-R414 IonicContact OE1-NE 3.6Å; E411-R414 IonicContact OE1-NH2 3.46Å; E411-R414 PolarHBondContact OE1-NH2 3.33Å; E411-R414 IonicContact OE2-CZ 2.98Å; E411-R414 IonicContact OE2-NE 3.32Å; E411-R414 PolarHBondContact OE2-NE 3.01Å; E411-R414 IonicContact OE2-NH2 3.12Å; W412-R414 VanDerWaalsContact C-N 3.31Å; W412-R414 PolarHBondContact O-N 2.85Å; R414-T417 PolarHBondContact O-N 2.98Å; R414-E418 IonicContact CZ-OE2 3.69Å; R414-E418 IonicContact NH1-OE2 2.72Å; R414-E418 PolarHBondContact NH1-OE2 3.37Å; R414-E418 WeakPolarHBondContact O-CB 3.29Å; R414-E418 PolarHBondContact O-N 3.27Å; R414-L651 HydrophobicContact CB-CD2 3.98Å; R414-L651 HydrophobicContact CG-CD2 4.25Å; R414-F655 HydrophobicContact CB-CZ 4.27Å; R414-F655 HydrophobicContact CG-CE1 4.27Å; R414-F655 HydrophobicContact CG-CE2 3.62Å; R414-F655 HydrophobicContact CG-CZ 3.46Å; R414-F655 VanDerWaalsContact CG-CZ 3.46Å
415	Q	91.4	Very high	87.4	Confident	85 Å²	85	30.6 Å²	30.6	40%	0.397	15%	0.15	S	C	.	.	H	α-helix	trans	-64	-38.6	178.5	-69.7	171.5	7.3	0	0	112.8	E411 W412 E418 F419	E411-Q415 VanDerWaalsContact O-CG 3.31Å; E411-Q415 WeakPolarHBondContact O-CG 3.41Å; E411-Q415 PolarHBondContact O-N 3.36Å; E411-Q415 PolarHBondContact OE1-NE2 3.1Å; W412-Q415 PolarHBondContact O-N 3.18Å; Q415-E418 PolarHBondContact O-N 3.21Å; Q415-F419 WeakPolarHBondContact O-CB 3.48Å; Q415-F419 PolarHBondContact O-N 2.91Å
416	I	92.9	Very high	87.1	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-66.3	-44.8	175.8	-71.6	161.5	0	0	0	110.1	W412 L413 E418 F419 V420 L460 L467 L468	W412-I416 WeakPolarHBondContact O-CB 3.33Å; W412-I416 WeakPolarHBondContact O-CD1 3.43Å; W412-I416 WeakPolarHBondContact O-CG1 3.46Å; W412-I416 PolarHBondContact O-N 3.17Å; L413-I416 PolarHBondContact O-N 2.88Å; I416-E418 VanDerWaalsContact C-N 3.35Å; I416-E418 PolarHBondContact O-N 3.38Å; I416-F419 PolarHBondContact O-N 2.93Å; I416-V420 HydrophobicContact CG2-CG2 4.39Å; I416-V420 WeakPolarHBondContact O-CG2 3.13Å; I416-V420 PolarHBondContact O-N 3.5Å; I416-L460 HydrophobicContact CG2-CD1 3.79Å; I416-L467 HydrophobicContact CD1-CB 4.09Å; I416-L467 HydrophobicContact CG1-CB 4.08Å; I416-L467 HydrophobicContact CG2-CB 3.83Å; I416-L467 HydrophobicContact CG2-CD1 3.78Å; I416-L467 HydrophobicContact CG2-CG 4.47Å; I416-L468 VanDerWaalsContact CD1-CA 3.5Å; I416-L468 HydrophobicContact CD1-CB 3.94Å; I416-L468 HydrophobicContact CD1-CD1 4.17Å
417	T	90.2	Very high	86.9	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-59.9	-46.3	176.5	-52.8	0	0	0	0	110.8	L413 R414 A421 W456 L460 I502 F655 M659	L413-T417 WeakPolarHBondContact O-CB 3.49Å; L413-T417 PolarHBondContact O-N 3.11Å; L413-T417 PolarHBondContact O-OG1 2.96Å; R414-T417 PolarHBondContact O-N 2.98Å; T417-A421 VanDerWaalsContact O-CB 3.26Å; T417-A421 WeakPolarHBondContact O-CB 3.07Å; T417-A421 PolarHBondContact O-N 3.15Å; T417-W456 HydrophobicContact CG2-CH2 3.74Å; T417-W456 HydrophobicContact CG2-CZ3 3.56Å; T417-L460 HydrophobicContact CG2-CD2 3.85Å; T417-I502 HydrophobicContact CG2-CD1 4.05Å; T417-F655 HydrophobicContact CG2-CE1 3.61Å; T417-F655 HydrophobicContact CG2-CZ 4.04Å; T417-M659 HydrophobicContact CG2-CG 4.01Å
418	E	89.8	Confident	86.7	Confident	23 Å²	23	28.5 Å²	28.5	11%	0.107	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-42.7	176.2	-177	159.3	-141.3	0	0	111.8	R414 Q415 I416 L422 M659 K662	R414-E418 IonicContact CZ-OE2 3.69Å; R414-E418 IonicContact NH1-OE2 2.72Å; R414-E418 PolarHBondContact NH1-OE2 3.37Å; R414-E418 WeakPolarHBondContact O-CB 3.29Å; R414-E418 PolarHBondContact O-N 3.27Å; Q415-E418 PolarHBondContact O-N 3.21Å; I416-E418 VanDerWaalsContact C-N 3.35Å; I416-E418 PolarHBondContact O-N 3.38Å; E418-L422 HydrophobicContact CG-CD1 3.93Å; E418-L422 WeakPolarHBondContact O-CB 3.47Å; E418-L422 VanDerWaalsContact O-CG 3.26Å; E418-L422 WeakPolarHBondContact O-CG 3.31Å; E418-L422 PolarHBondContact O-N 2.91Å; E418-M659 HydrophobicContact CB-SD 3.99Å; E418-M659 HydrophobicContact CG-SD 4.24Å; E418-K662 IonicContact OE1-NZ 3.51Å; E418-K662 PolarHBondContact OE1-NZ 3.12Å
419	F	91.6	Very high	85.8	Confident	34 Å²	34	27 Å²	27	15%	0.149	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-51.3	175	172.1	-100.7	0	0	0	112.3	Q415 I416 A421 L422 S423 L467 Y547 R550 H551 L554	Q415-F419 WeakPolarHBondContact O-CB 3.48Å; Q415-F419 PolarHBondContact O-N 2.91Å; I416-F419 PolarHBondContact O-N 2.93Å; F419-A421 PolarHBondContact O-N 3.07Å; F419-L422 PolarHBondContact O-N 3.02Å; F419-S423 WeakPolarHBondContact CE2-OG 3.45Å; F419-S423 VanDerWaalsContact O-CB 3.3Å; F419-S423 WeakPolarHBondContact O-CB 3.27Å; F419-S423 PolarHBondContact O-N 3.19Å; F419-S423 PolarHBondContact O-OG 3.43Å; F419-L467 HydrophobicContact CD1-CD1 4.42Å; F419-L467 HydrophobicContact CE1-CD2 4.47Å; F419-Y547 HydrophobicContact CE2-CE2 4.18Å; F419-R550 HydrophobicContact CE1-CB 3.76Å; F419-R550 HydrophobicContact CE2-CB 4.44Å; F419-R550 HydrophobicContact CZ-CB 3.61Å; F419-H551 AromaticContact CE2-CE1 3.41Å; F419-H551 VanDerWaalsContact CE2-CE1 3.41Å; F419-H551 WeakPolarHBondContact CE2-CE1 3.42Å; F419-H551 AromaticContact CE2-NE2 3.75Å; F419-H551 AromaticContact CZ-CE1 3.5Å; F419-H551 AromaticContact CZ-ND1 3.75Å; F419-H551 AromaticContact CZ-NE2 3.7Å; F419-L554 HydrophobicContact CD1-CD1 4.39Å; F419-L554 HydrophobicContact CE1-CD1 3.59Å; F419-L554 HydrophobicContact CE1-CG 4.16Å; F419-L554 HydrophobicContact CZ-CD1 4.05Å
420	V	89.8	Confident	84.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.2	-46.3	179.3	-178.5	0	0	0	0	110.2	I416 L422 S423 T424 L459 L460 L467 L554	I416-V420 HydrophobicContact CG2-CG2 4.39Å; I416-V420 WeakPolarHBondContact O-CG2 3.13Å; I416-V420 PolarHBondContact O-N 3.5Å; V420-L422 VanDerWaalsContact C-N 3.3Å; V420-L422 PolarHBondContact O-N 2.98Å; V420-S423 PolarHBondContact O-N 3.01Å; V420-T424 VanDerWaalsContact O-CB 3.31Å; V420-T424 WeakPolarHBondContact O-CB 3.21Å; V420-T424 PolarHBondContact O-N 3.28Å; V420-T424 PolarHBondContact O-OG1 3.47Å; V420-L459 HydrophobicContact CG1-CB 4.21Å; V420-L459 HydrophobicContact CG1-CD2 3.98Å; V420-L459 HydrophobicContact CG1-CG 4.1Å; V420-L460 HydrophobicContact CB-CB 4.41Å; V420-L460 HydrophobicContact CB-CD1 4.14Å; V420-L460 HydrophobicContact CG1-CB 4.07Å; V420-L460 HydrophobicContact CG2-CD1 3.71Å; V420-L467 HydrophobicContact CG2-CD1 3.59Å; V420-L554 HydrophobicContact CG1-CD2 4.22Å; V420-L554 HydrophobicContact CG2-CD2 3.92Å
421	A	86.4	Confident	83.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.6	-40.6	178.3	0	0	0	0	0	112.7	T417 F419 W456 M659 Y663	T417-A421 VanDerWaalsContact O-CB 3.26Å; T417-A421 WeakPolarHBondContact O-CB 3.07Å; T417-A421 PolarHBondContact O-N 3.15Å; F419-A421 PolarHBondContact O-N 3.07Å; A421-W456 HydrophobicContact CB-CD2 3.98Å; A421-W456 HydrophobicContact CB-CE3 3.84Å; A421-W456 HydrophobicContact CB-CG 4.48Å; A421-W456 HydrophobicContact CB-CZ3 4.15Å; A421-M659 HydrophobicContact CB-CB 4.2Å; A421-Y663 WeakPolarHBondContact O-CD2 3.33Å
422	L	87.2	Confident	82.4	Confident	65 Å²	65	31.3 Å²	31.3	34%	0.34	16%	0.164	S	C	.	.	H	α-helix	trans	-81.6	-32.3	-179.7	-66.7	173.6	0	0	0	113.8	E418 F419 V420 P425 K662 A666	E418-L422 HydrophobicContact CG-CD1 3.93Å; E418-L422 WeakPolarHBondContact O-CB 3.47Å; E418-L422 VanDerWaalsContact O-CG 3.26Å; E418-L422 WeakPolarHBondContact O-CG 3.31Å; E418-L422 PolarHBondContact O-N 2.91Å; F419-L422 PolarHBondContact O-N 3.02Å; V420-L422 VanDerWaalsContact C-N 3.3Å; V420-L422 PolarHBondContact O-N 2.98Å; L422-P425 WeakPolarHBondContact O-CD 3.45Å; L422-K662 HydrophobicContact CD2-CB 4.21Å; L422-A666 HydrophobicContact CD2-CB 4.15Å
423	S	86.7	Confident	80.6	Confident	8 Å²	8	36.6 Å²	36.6	6%	0.056	19%	0.193	C	C	.	.	H	α-helix	trans	-80.5	-22.1	177.6	-67.2	0	0	0	0	113.2	F419 V420 L426 V427 H551	F419-S423 WeakPolarHBondContact CE2-OG 3.45Å; F419-S423 VanDerWaalsContact O-CB 3.3Å; F419-S423 WeakPolarHBondContact O-CB 3.27Å; F419-S423 PolarHBondContact O-N 3.19Å; F419-S423 PolarHBondContact O-OG 3.43Å; V420-S423 PolarHBondContact O-N 3.01Å; S423-L426 WeakPolarHBondContact O-CB 3.44Å; S423-L426 PolarHBondContact O-N 3.24Å; S423-V427 PolarHBondContact O-N 2.69Å; S423-V427 VanDerWaalsContact O-N 3.12Å; S423-H551 PolarHBondContact OG-NE2 2.94Å; S423-H551 VanDerWaalsContact OG-NE2 3.1Å
424	T	84.1	Confident	78.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-53.9	-46.4	-175.8	-66.5	0	0	0	0	113.9	V420 L426 V427 S428 W435 W456 L459 Y663	V420-T424 VanDerWaalsContact O-CB 3.31Å; V420-T424 WeakPolarHBondContact O-CB 3.21Å; V420-T424 PolarHBondContact O-N 3.28Å; V420-T424 PolarHBondContact O-OG1 3.47Å; T424-L426 PolarHBondContact O-N 3.09Å; T424-V427 PolarHBondContact O-N 3.41Å; T424-S428 PolarHBondContact O-N 2.96Å; T424-S428 PolarHBondContact O-OG 3.16Å; T424-S428 VanDerWaalsContact O-OG 3.13Å; T424-W435 HydrophobicContact CG2-CH2 3.35Å; T424-W435 HydrophobicContact CG2-CZ2 3.31Å; T424-W456 HydrophobicContact CG2-CB 3.81Å; T424-W456 VanDerWaalsContact OG1-CB 3.27Å; T424-W456 WeakPolarHBondContact OG1-CB 3.25Å; T424-L459 HydrophobicContact CG2-CD2 4.32Å; T424-Y663 HydrophobicContact CG2-CE2 3.87Å
425	P	79.1	Confident	77.1	Confident	8 Å²	8	37.3 Å²	37.3	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-56.3	-33.7	177.8	-25.9	35.9	0	0	0	113.8	L422 T429 Y663 A666 L667 L670	L422-P425 WeakPolarHBondContact O-CD 3.45Å; P425-T429 PolarHBondContact O-N 3.32Å; P425-Y663 HydrophobicContact CG-CD2 3.89Å; P425-Y663 HydrophobicContact CG-CE2 3.84Å; P425-A666 HydrophobicContact CG-CB 4.39Å; P425-L667 HydrophobicContact CB-CB 4.46Å; P425-L667 HydrophobicContact CG-CB 4.18Å; P425-L670 HydrophobicContact CB-CD2 4.02Å
426	L	77.5	Confident	74.8	Confident	46 Å²	46	37.3 Å²	37.3	24%	0.241	20%	0.203	C	C	.	.	H	α-helix	trans	-76.3	-32.4	176.4	-59.8	172.7	0	0	0	112.4	S423 T424 T429 L430 L670	S423-L426 WeakPolarHBondContact O-CB 3.44Å; S423-L426 PolarHBondContact O-N 3.24Å; T424-L426 PolarHBondContact O-N 3.09Å; L426-T429 PolarHBondContact O-OG1 3.37Å; L426-L430 WeakPolarHBondContact O-CG 3.39Å; L426-L430 PolarHBondContact O-N 2.91Å; L426-L670 HydrophobicContact CD2-CD1 3.8Å; L426-L670 HydrophobicContact CD2-CD2 4.25Å
427	V	78	Confident	72.2	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.024	24%	0.236	C	C	.	.	H	α-helix	trans	-69.8	-38.2	173.6	177	0	0	0	0	110.4	S423 T424 T429 L430 K431 L434 L459 L554 L555	S423-V427 PolarHBondContact O-N 2.69Å; S423-V427 VanDerWaalsContact O-N 3.12Å; T424-V427 PolarHBondContact O-N 3.41Å; V427-T429 VanDerWaalsContact C-N 3.3Å; V427-T429 PolarHBondContact O-N 3.45Å; V427-L430 PolarHBondContact O-N 2.99Å; V427-K431 PolarHBondContact O-N 3.4Å; V427-L434 HydrophobicContact CG1-CD1 3.79Å; V427-L459 HydrophobicContact CG1-CD2 4.44Å; V427-L554 HydrophobicContact CG2-CB 3.94Å; V427-L554 HydrophobicContact CG2-CD1 4.13Å; V427-L555 HydrophobicContact CG1-CD2 4.34Å
428	S	73.7	Confident	69.7	Low	29 Å²	29	49.8 Å²	49.8	20%	0.203	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-29.7	176.6	-59	0	0	0	0	113.7	T424 P432 W435	T424-S428 PolarHBondContact O-N 2.96Å; T424-S428 PolarHBondContact O-OG 3.16Å; T424-S428 VanDerWaalsContact O-OG 3.13Å; S428-P432 WeakPolarHBondContact O-CA 3.25Å; S428-W435 WeakPolarHBondContact OG-CH2 3.45Å; S428-W435 VanDerWaalsContact OG-CZ2 3.24Å; S428-W435 WeakPolarHBondContact OG-CZ2 3.18Å
429	T	68	Low	67.3	Low	89 Å²	89	54.1 Å²	54.1	55%	0.546	29%	0.293	S	S	.	.	H	α-helix	trans	-77.1	-34.1	173.5	56	0	0	0	0	112.5	P425 L426 V427 L670	P425-T429 PolarHBondContact O-N 3.32Å; L426-T429 PolarHBondContact O-OG1 3.37Å; V427-T429 VanDerWaalsContact C-N 3.3Å; V427-T429 PolarHBondContact O-N 3.45Å; T429-L670 HydrophobicContact CG2-CD2 3.95Å
430	L	65.1	Low	65	Low	58 Å²	58	53.6 Å²	53.6	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-74.7	-41.7	178.7	-70.2	171	0	0	0	113.2	L3 L426 V427 L555	L3-L430 HydrophobicContact CD2-CD1 4.23Å; L3-L430 HydrophobicContact CD2-CD2 4.26Å; L426-L430 WeakPolarHBondContact O-CG 3.39Å; L426-L430 PolarHBondContact O-N 2.91Å; V427-L430 PolarHBondContact O-N 2.99Å; L430-L555 HydrophobicContact CB-CD2 4.09Å; L430-L555 HydrophobicContact CD1-CD2 4.03Å
431	K	67.7	Low	62.6	Low	48 Å²	48	56.5 Å²	56.5	21%	0.209	31%	0.312	C	S	.	.			trans	-129.8	76.6	179.9	-173.5	172.9	-170.2	-172.4	0	110.1	V427 N433 L434 D558 E559	V427-K431 PolarHBondContact O-N 3.4Å; K431-N433 PolarHBondContact O-N 2.93Å; K431-N433 VanDerWaalsContact O-N 3.11Å; K431-L434 HydrophobicContact CB-CD1 3.85Å; K431-L434 HydrophobicContact CB-CG 4.48Å; K431-L434 HydrophobicContact CD-CD1 3.84Å; K431-L434 HydrophobicContact CD-CG 3.87Å; K431-L434 HydrophobicContact CG-CB 4.47Å; K431-L434 HydrophobicContact CG-CD1 3.89Å; K431-L434 HydrophobicContact CG-CG 3.99Å; K431-L434 PolarHBondContact O-N 3.11Å; K431-D558 VanDerWaalsContact CE-OD2 3.28Å; K431-D558 WeakPolarHBondContact CE-OD2 3.23Å; K431-D558 IonicContact NZ-OD2 2.7Å; K431-D558 PolarHBondContact NZ-OD2 3.24Å; K431-E559 IonicContact NZ-OE1 2.73Å; K431-E559 PolarHBondContact NZ-OE1 3.23Å
432	P	57.9	Low	60.5	Low	71 Å²	71	64.1 Å²	64.1	46%	0.461	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-64.2	-17.6	-176.7	25.6	-35.5	0	0	0	113.9	S428	S428-P432 WeakPolarHBondContact O-CA 3.25Å
433	N	55.6	Low	58.4	Low	122 Å²	122	64.2 Å²	64.2	65%	0.652	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-82.7	-10.2	-178.8	-67.7	8.7	0	0	0	114.4	K431 W435	K431-N433 PolarHBondContact O-N 2.93Å; K431-N433 VanDerWaalsContact O-N 3.11Å; N433-W435 PolarHBondContact O-N 2.86Å
434	L	53.8	Low	56.5	Low	26 Å²	26	64.4 Å²	64.4	14%	0.136	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-56.9	-13.4	175.2	-103.6	155.3	0	0	0	113	V427 K431 D558	V427-L434 HydrophobicContact CG1-CD1 3.79Å; K431-L434 HydrophobicContact CB-CD1 3.85Å; K431-L434 HydrophobicContact CB-CG 4.48Å; K431-L434 HydrophobicContact CD-CD1 3.84Å; K431-L434 HydrophobicContact CD-CG 3.87Å; K431-L434 HydrophobicContact CG-CB 4.47Å; K431-L434 HydrophobicContact CG-CD1 3.89Å; K431-L434 HydrophobicContact CG-CG 3.99Å; K431-L434 PolarHBondContact O-N 3.11Å; L434-D558 VanDerWaalsContact CD2-CG 3.45Å; L434-D558 WeakPolarHBondContact CD2-OD1 3.42Å; L434-D558 WeakPolarHBondContact CD2-OD2 3.32Å; L434-D558 VanDerWaalsContact CG-OD2 3.27Å; L434-D558 WeakPolarHBondContact CG-OD2 3.27Å
435	W	53	Low	54.6	Low	61 Å²	61	67.9 Å²	67.9	23%	0.231	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-129	50.3	-161.7	-60.1	57.3	0	0	0	111.4	T424 S428 N433 L437 P455	T424-W435 HydrophobicContact CG2-CH2 3.35Å; T424-W435 HydrophobicContact CG2-CZ2 3.31Å; S428-W435 WeakPolarHBondContact OG-CH2 3.45Å; S428-W435 VanDerWaalsContact OG-CZ2 3.24Å; S428-W435 WeakPolarHBondContact OG-CZ2 3.18Å; N433-W435 PolarHBondContact O-N 2.86Å; W435-L437 PolarHBondContact O-N 3.43Å; W435-P455 HydrophobicContact CD2-CB 4.16Å; W435-P455 HydrophobicContact CE3-CB 3.44Å; W435-P455 VanDerWaalsContact CE3-CB 3.44Å; W435-P455 HydrophobicContact CE3-CG 4.11Å; W435-P455 HydrophobicContact CH2-CB 3.34Å; W435-P455 HydrophobicContact CH2-CG 4.27Å; W435-P455 HydrophobicContact CZ2-CB 4Å; W435-P455 HydrophobicContact CZ3-CB 3.05Å; W435-P455 HydrophobicContact CZ3-CG 3.65Å
436	T	42.9	Very low	53.1	Low	85 Å²	85	73.1 Å²	73.1	52%	0.521	38%	0.384	S	S	.	.			trans	-61.3	106.4	162.4	43.3	0	0	0	0	108.4	N438 D439	T436-N438 PolarHBondContact O-N 3.2Å; T436-D439 PolarHBondContact O-N 2.93Å; T436-D439 VanDerWaalsContact O-N 3.11Å
437	L	38.7	Very low	51.8	Low	138 Å²	138	72.2 Å²	72.2	72%	0.723	38%	0.38	S	S	*	.	H	α-helix	trans	-52.5	-22.4	-172.6	-153.4	87.4	0	0	0	113.8	W435	W435-L437 PolarHBondContact O-N 3.43Å
438	N	36.5	Very low	50	Low	131 Å²	131	74 Å²	74	70%	0.701	39%	0.389	S	S	*	.	H	α-helix	trans	-67.4	-35.3	-178.3	-65.2	-12.2	0	0	0	113.4	T436 S441	T436-N438 PolarHBondContact O-N 3.2Å; N438-S441 PolarHBondContact O-OG 3.41Å
439	D	40.6	Very low	48.7	Very low	114 Å²	114	80.5 Å²	80.5	61%	0.61	42%	0.422	S	S	*	.	H	α-helix	trans	-84.6	-26.6	179.1	-74.9	-51.6	0	0	0	113.3	T436 S441 K442	T436-D439 PolarHBondContact O-N 2.93Å; T436-D439 VanDerWaalsContact O-N 3.11Å; D439-S441 PolarHBondContact O-N 3.19Å; D439-K442 PolarHBondContact O-N 3.39Å
440	L	43.5	Very low	47.5	Very low	23 Å²	23	83.7 Å²	83.7	12%	0.12	43%	0.428	C	S	.	.	H	α-helix	trans	-59.6	-29.4	175.9	-92.2	66.3	0	0	0	112.9	K442 P455	L440-K442 PolarHBondContact O-N 3.05Å; L440-K442 VanDerWaalsContact O-N 3.14Å; L440-P455 HydrophobicContact CD2-CB 4.11Å; L440-P455 HydrophobicContact CD2-CG 4.35Å
441	S	38.6	Very low	46.5	Very low	61 Å²	61	87.7 Å²	87.7	43%	0.427	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	1.6	-173.9	71	0	0	0	0	115.8	N438 D439 H445	N438-S441 PolarHBondContact O-OG 3.41Å; D439-S441 PolarHBondContact O-N 3.19Å; S441-H445 VanDerWaalsContact C-CD2 3.41Å; S441-H445 PolarHBondContact O-CD2 3.11Å; S441-H445 PolarHBondContact O-NE2 3.05Å
442	K	42.4	Very low	45.7	Very low	159 Å²	159	88.3 Å²	88.3	69%	0.691	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	-0	-176.2	-66.3	-178.4	-177.5	172.4	0	115.7	D439 L440	D439-K442 PolarHBondContact O-N 3.39Å; L440-K442 PolarHBondContact O-N 3.05Å; L440-K442 VanDerWaalsContact O-N 3.14Å
443	Q	42.8	Very low	45.7	Very low	67 Å²	67	86.9 Å²	86.9	31%	0.313	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-25.7	-178.7	-68.9	-173.8	-7.2	0	0	114.4	L508 Q511	Q443-L508 HydrophobicContact CB-CD2 4.11Å; Q443-L508 HydrophobicContact CG-CD2 3.79Å; Q443-Q511 PolarHBondContact O-OE1 3.31Å
444	V	47.6	Very low	46.4	Very low	12 Å²	12	81.3 Å²	81.3	7%	0.073	42%	0.421	C	S	.	.	S	Bend	trans	-103.4	-9.6	-172.5	-172.7	0	0	0	0	113.7	H446 L447 F454 L457 S458	V444-H446 PolarHBondContact O-N 3.2Å; V444-L447 PolarHBondContact O-N 3.36Å; V444-F454 HydrophobicContact CG1-CB 4.28Å; V444-F454 HydrophobicContact CG1-CD2 4.07Å; V444-L457 HydrophobicContact CG1-CD2 4.47Å; V444-S458 WeakPolarHBondContact CG2-OG 3.4Å
445	H	44.4	Very low	47.3	Very low	74 Å²	74	81.1 Å²	81.1	34%	0.343	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10	-171.4	-77.9	-97	0	0	0	116.1	S441 N451	S441-H445 VanDerWaalsContact C-CD2 3.41Å; S441-H445 PolarHBondContact O-CD2 3.11Å; S441-H445 PolarHBondContact O-NE2 3.05Å; H445-N451 PolarHBondContact CE1-OD1 3.24Å; H445-N451 PolarHBondContact ND1-OD1 3.32Å
446	H	46.7	Very low	48.8	Very low	117 Å²	117	78.2 Å²	78.2	54%	0.542	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-9.7	177.8	-66.3	-61.7	0	0	0	114.6	V444	V444-H446 PolarHBondContact O-N 3.2Å
447	L	50.4	Low	50.7	Low	27 Å²	27	74.3 Å²	74.3	14%	0.141	39%	0.387	C	S	.	.	S	Bend	trans	-93.2	-4.7	177.7	-66	177.3	0	0	0	113.9	V444 L457 L506 Q653	V444-L447 PolarHBondContact O-N 3.36Å; L447-L457 HydrophobicContact CD1-CD2 3.58Å; L447-L506 HydrophobicContact CD1-CD2 4.47Å; L447-Q653 PolarHBondContact O-NE2 3.04Å
448	N	40.6	Very low	52.6	Low	42 Å²	42	68.5 Å²	68.5	23%	0.225	36%	0.357	C	S	.	.			trans	-156	132.8	170.7	-160	-9.2	0	0	0	109.7	K450 F454	N448-K450 PolarHBondContact O-N 3.13Å; N448-F454 HydrophobicContact CB-CE2 4.05Å
449	N	45.5	Very low	54.9	Low	166 Å²	166	62.5 Å²	62.5	89%	0.888	33%	0.325	S	S	*	.	S	Bend	trans	-75.2	28.2	-178.3	-157.8	0.4	0	0	0	112.8
450	K	43.8	Very low	57.2	Low	155 Å²	155	57.1 Å²	57.1	67%	0.674	30%	0.297	S	S	*	.	S	Bend	trans	-153	142.5	-173	-62.9	-175.1	-178.9	174.7	0	107.9	N448 V452	N448-K450 PolarHBondContact O-N 3.13Å; K450-V452 PolarHBondContact O-N 3.09Å
451	N	43.5	Very low	59.1	Low	142 Å²	142	57.2 Å²	57.2	76%	0.759	30%	0.301	S	S	*	.			trans	-66.5	37.8	-172.1	-64.4	-25.5	0	0	0	116.2	H445 A453	H445-N451 PolarHBondContact CE1-OD1 3.24Å; H445-N451 PolarHBondContact ND1-OD1 3.32Å; N451-A453 PolarHBondContact O-N 3.41Å
452	V	51.2	Low	61.4	Low	62 Å²	62	58.3 Å²	58.3	38%	0.376	30%	0.299	S	S	.	.			trans	-84.8	93.2	171.8	-174.5	0	0	0	0	107.6	K450 F454	K450-V452 PolarHBondContact O-N 3.09Å; V452-F454 HydrophobicContact CB-CE2 4.1Å; V452-F454 HydrophobicContact CB-CZ 4.3Å; V452-F454 HydrophobicContact CG1-CD1 4.45Å; V452-F454 HydrophobicContact CG1-CD2 4.34Å; V452-F454 HydrophobicContact CG1-CE1 4.11Å; V452-F454 HydrophobicContact CG1-CE2 3.98Å; V452-F454 HydrophobicContact CG1-CZ 3.86Å; V452-F454 WeakPolarHBondContact O-CD2 3.13Å; V452-F454 WeakPolarHBondContact O-CE2 3.32Å; V452-F454 PolarHBondContact O-N 3.26Å
453	A	57.9	Low	63.6	Low	40 Å²	40	50.8 Å²	50.8	33%	0.331	27%	0.267	S	S	.	.			trans	-63	121.3	164.9	0	0	0	0	0	108.1	N451 P455	N451-A453 PolarHBondContact O-N 3.41Å; A453-P455 WeakPolarHBondContact O-CD 3.31Å
454	F	69.3	Low	66	Low	6 Å²	6	47.7 Å²	47.7	3%	0.026	25%	0.252	C	S	.	.			trans	-96.3	93	173.1	-65.3	-91.4	0	0	0	108.1	V444 N448 V452 W456 L457 S458 L657 H660	V444-F454 HydrophobicContact CG1-CB 4.28Å; V444-F454 HydrophobicContact CG1-CD2 4.07Å; N448-F454 HydrophobicContact CB-CE2 4.05Å; V452-F454 HydrophobicContact CB-CE2 4.1Å; V452-F454 HydrophobicContact CB-CZ 4.3Å; V452-F454 HydrophobicContact CG1-CD1 4.45Å; V452-F454 HydrophobicContact CG1-CD2 4.34Å; V452-F454 HydrophobicContact CG1-CE1 4.11Å; V452-F454 HydrophobicContact CG1-CE2 3.98Å; V452-F454 HydrophobicContact CG1-CZ 3.86Å; V452-F454 WeakPolarHBondContact O-CD2 3.13Å; V452-F454 WeakPolarHBondContact O-CE2 3.32Å; V452-F454 PolarHBondContact O-N 3.26Å; F454-W456 PolarHBondContact O-N 2.95Å; F454-L457 HydrophobicContact CB-CB 3.66Å; F454-L457 HydrophobicContact CB-CD2 4.02Å; F454-L457 HydrophobicContact CB-CG 4.5Å; F454-L457 HydrophobicContact CG-CD2 4.46Å; F454-L457 WeakPolarHBondContact O-CA 3.35Å; F454-L457 WeakPolarHBondContact O-CB 3.46Å; F454-L457 PolarHBondContact O-N 3.47Å; F454-S458 PolarHBondContact O-N 3.14Å; F454-L657 HydrophobicContact CE1-CD2 4.37Å; F454-L657 HydrophobicContact CZ-CD2 4.12Å; F454-H660 HydrophobicContact CD1-CB 3.8Å; F454-H660 AromaticContact CD1-CD2 3.72Å; F454-H660 AromaticContact CD1-CG 3.45Å; F454-H660 VanDerWaalsContact CD1-CG 3.45Å; F454-H660 AromaticContact CD1-ND1 3.67Å; F454-H660 HydrophobicContact CE1-CB 3.72Å; F454-H660 AromaticContact CE1-CD2 3.4Å; F454-H660 WeakPolarHBondContact CE1-CD2 3.37Å; F454-H660 AromaticContact CE1-CG 3.49Å; F454-H660 VanDerWaalsContact CE1-CG 3.49Å
455	P	73.3	Confident	68.1	Low	21 Å²	21	47.6 Å²	47.6	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-77.8	-32.1	-160.6	-21.3	38.8	0	0	0	112.4	W435 L440 A453 L457 S458 L459	W435-P455 HydrophobicContact CD2-CB 4.16Å; W435-P455 HydrophobicContact CE3-CB 3.44Å; W435-P455 VanDerWaalsContact CE3-CB 3.44Å; W435-P455 HydrophobicContact CE3-CG 4.11Å; W435-P455 HydrophobicContact CH2-CB 3.34Å; W435-P455 HydrophobicContact CH2-CG 4.27Å; W435-P455 HydrophobicContact CZ2-CB 4Å; W435-P455 HydrophobicContact CZ3-CB 3.05Å; W435-P455 HydrophobicContact CZ3-CG 3.65Å; L440-P455 HydrophobicContact CD2-CB 4.11Å; L440-P455 HydrophobicContact CD2-CG 4.35Å; A453-P455 WeakPolarHBondContact O-CD 3.31Å; P455-L457 PolarHBondContact O-N 3.44Å; P455-S458 WeakPolarHBondContact O-CB 3.42Å; P455-S458 PolarHBondContact O-N 3.42Å; P455-L459 PolarHBondContact O-N 3.44Å
456	W	83.8	Confident	70.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-24.4	168.2	70.4	-94.9	0	0	0	112.7	T417 A421 T424 F454 L459 L460 I656 M659 H660 Y663	T417-W456 HydrophobicContact CG2-CH2 3.74Å; T417-W456 HydrophobicContact CG2-CZ3 3.56Å; A421-W456 HydrophobicContact CB-CD2 3.98Å; A421-W456 HydrophobicContact CB-CE3 3.84Å; A421-W456 HydrophobicContact CB-CG 4.48Å; A421-W456 HydrophobicContact CB-CZ3 4.15Å; T424-W456 HydrophobicContact CG2-CB 3.81Å; T424-W456 VanDerWaalsContact OG1-CB 3.27Å; T424-W456 WeakPolarHBondContact OG1-CB 3.25Å; F454-W456 PolarHBondContact O-N 2.95Å; W456-L459 PolarHBondContact O-N 2.92Å; W456-L460 HydrophobicContact CZ3-CD2 3.96Å; W456-L460 WeakPolarHBondContact O-CB 3.4Å; W456-L460 PolarHBondContact O-N 3.48Å; W456-I656 HydrophobicContact CH2-CG2 4.21Å; W456-I656 HydrophobicContact CZ2-CG2 4.01Å; W456-M659 HydrophobicContact CH2-CB 3.86Å; W456-M659 HydrophobicContact CZ2-CB 3.99Å; W456-H660 AromaticContact CD1-ND1 3.89Å; W456-H660 HydrophobicContact CZ2-CB 4.39Å; W456-H660 AromaticContact NE1-CG 3.98Å; W456-H660 AromaticContact NE1-ND1 3.4Å; W456-H660 PolarHBondContact NE1-ND1 3.26Å; W456-Y663 HydrophobicContact CB-CD2 4.21Å; W456-Y663 HydrophobicContact CB-CE2 4.36Å; W456-Y663 AromaticContact CD1-CD1 3.89Å; W456-Y663 AromaticContact CD1-CG 3.73Å; W456-Y663 HydrophobicContact CG-CD2 4.36Å; W456-Y663 HydrophobicContact CG-CG 4.39Å
457	L	82.9	Confident	72.8	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-77	-35.4	178.8	-158.3	68.5	0	0	0	111.2	V444 L447 F454 P455 L459 L460 A461 L506 I656	V444-L457 HydrophobicContact CG1-CD2 4.47Å; L447-L457 HydrophobicContact CD1-CD2 3.58Å; F454-L457 HydrophobicContact CB-CB 3.66Å; F454-L457 HydrophobicContact CB-CD2 4.02Å; F454-L457 HydrophobicContact CB-CG 4.5Å; F454-L457 HydrophobicContact CG-CD2 4.46Å; F454-L457 WeakPolarHBondContact O-CA 3.35Å; F454-L457 WeakPolarHBondContact O-CB 3.46Å; F454-L457 PolarHBondContact O-N 3.47Å; P455-L457 PolarHBondContact O-N 3.44Å; L457-L459 VanDerWaalsContact C-N 3.31Å; L457-L460 HydrophobicContact CD1-CD2 4.28Å; L457-L460 PolarHBondContact O-N 3.14Å; L457-A461 VanDerWaalsContact O-CB 3.31Å; L457-A461 WeakPolarHBondContact O-CB 3.49Å; L457-A461 PolarHBondContact O-N 2.8Å; L457-L506 HydrophobicContact CD1-CD2 3.78Å; L457-L506 HydrophobicContact CD2-CD2 4.4Å; L457-L506 HydrophobicContact CG-CD2 3.8Å; L457-I656 HydrophobicContact CD1-CG2 4.23Å; L457-I656 HydrophobicContact CD2-CG2 4.25Å
458	S	79.6	Confident	74.8	Confident	16 Å²	16	38 Å²	38	11%	0.112	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-37.7	169.1	-55.5	0	0	0	0	111.7	V444 F454 P455 Q462	V444-S458 WeakPolarHBondContact CG2-OG 3.4Å; F454-S458 PolarHBondContact O-N 3.14Å; P455-S458 WeakPolarHBondContact O-CB 3.42Å; P455-S458 PolarHBondContact O-N 3.42Å; S458-Q462 WeakPolarHBondContact O-CG 3.41Å; S458-Q462 PolarHBondContact O-NE2 3.31Å
459	L	84.5	Confident	77.3	Confident	5 Å²	5	36 Å²	36	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-47.6	173.7	-171.6	65.6	0	0	0	110.8	V420 T424 V427 P455 W456 L457 A461 Q462 C463 L554 V557	V420-L459 HydrophobicContact CG1-CB 4.21Å; V420-L459 HydrophobicContact CG1-CD2 3.98Å; V420-L459 HydrophobicContact CG1-CG 4.1Å; T424-L459 HydrophobicContact CG2-CD2 4.32Å; V427-L459 HydrophobicContact CG1-CD2 4.44Å; P455-L459 PolarHBondContact O-N 3.44Å; W456-L459 PolarHBondContact O-N 2.92Å; L457-L459 VanDerWaalsContact C-N 3.31Å; L459-A461 PolarHBondContact O-N 3.2Å; L459-Q462 PolarHBondContact O-N 2.96Å; L459-C463 PolarHBondContact O-N 2.89Å; L459-C463 PolarHBondContact O-SG 3.22Å; L459-L554 HydrophobicContact CD2-CD2 4.06Å; L459-L554 HydrophobicContact CG-CD2 4.12Å; L459-V557 HydrophobicContact CD1-CB 4.03Å; L459-V557 HydrophobicContact CD1-CG1 4.17Å; L459-V557 HydrophobicContact CD1-CG2 3.67Å
460	L	88.7	Confident	79.7	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-59	-45.2	177	-178.7	64.8	0	0	0	112.1	I416 T417 V420 W456 L457 Q462 C463 W464 I502 L506	I416-L460 HydrophobicContact CG2-CD1 3.79Å; T417-L460 HydrophobicContact CG2-CD2 3.85Å; V420-L460 HydrophobicContact CB-CB 4.41Å; V420-L460 HydrophobicContact CB-CD1 4.14Å; V420-L460 HydrophobicContact CG1-CB 4.07Å; V420-L460 HydrophobicContact CG2-CD1 3.71Å; W456-L460 HydrophobicContact CZ3-CD2 3.96Å; W456-L460 WeakPolarHBondContact O-CB 3.4Å; W456-L460 PolarHBondContact O-N 3.48Å; L457-L460 HydrophobicContact CD1-CD2 4.28Å; L457-L460 PolarHBondContact O-N 3.14Å; L460-Q462 PolarHBondContact O-N 3.35Å; L460-Q462 VanDerWaalsContact O-N 3.14Å; L460-C463 PolarHBondContact O-N 3.08Å; L460-C463 VanDerWaalsContact O-N 3.16Å; L460-W464 HydrophobicContact CD1-CB 3.78Å; L460-W464 HydrophobicContact CG-CB 4.25Å; L460-W464 WeakPolarHBondContact O-CB 3.23Å; L460-W464 PolarHBondContact O-N 3.02Å; L460-I502 HydrophobicContact CD2-CD1 4.42Å; L460-L506 HydrophobicContact CD2-CD1 3.78Å; L460-L506 HydrophobicContact CG-CD1 3.77Å
461	A	84.7	Confident	82	Confident	25 Å²	25	20.9 Å²	20.9	21%	0.207	12%	0.122	C	C	.	.	H	α-helix	trans	-56.6	-30.4	-178.2	0	0	0	0	0	113.6	L457 L459 L506	L457-A461 VanDerWaalsContact O-CB 3.31Å; L457-A461 WeakPolarHBondContact O-CB 3.49Å; L457-A461 PolarHBondContact O-N 2.8Å; L459-A461 PolarHBondContact O-N 3.2Å; A461-L506 HydrophobicContact CB-CB 3.97Å
462	Q	84.9	Confident	84.3	Confident	83 Å²	83	14.1 Å²	14.1	39%	0.388	9%	0.085	S	C	.	.	H	α-helix	trans	-88	-25.9	-178.6	-64.5	176	77.8	0	0	113.8	S458 L459 L460 Q465 V557	S458-Q462 WeakPolarHBondContact O-CG 3.41Å; S458-Q462 PolarHBondContact O-NE2 3.31Å; L459-Q462 PolarHBondContact O-N 2.96Å; L460-Q462 PolarHBondContact O-N 3.35Å; L460-Q462 VanDerWaalsContact O-N 3.14Å; Q462-Q465 PolarHBondContact O-NE2 3.48Å; Q462-Q465 PolarHBondContact O-OE1 3.2Å; Q462-V557 HydrophobicContact CB-CG1 3.49Å; Q462-V557 VanDerWaalsContact CB-CG1 3.49Å; Q462-V557 VanDerWaalsContact CD-CG1 3.44Å; Q462-V557 HydrophobicContact CG-CG1 4.1Å; Q462-V557 VanDerWaalsContact OE1-CG1 3.29Å
463	C	90.5	Very high	86.3	Confident	2 Å²	2	11.4 Å²	11.4	1%	0.014	7%	0.069	C	C	.	.	H	α-helix	trans	-119.8	-12.9	-169.3	72.1	0	0	0	0	116.3	L459 L460 Q465 K466 L467 V553 V557	L459-C463 PolarHBondContact O-N 2.89Å; L459-C463 PolarHBondContact O-SG 3.22Å; L460-C463 PolarHBondContact O-N 3.08Å; L460-C463 VanDerWaalsContact O-N 3.16Å; C463-Q465 PolarHBondContact O-N 3.05Å; C463-Q465 VanDerWaalsContact O-N 3.07Å; C463-K466 PolarHBondContact O-N 3.39Å; C463-L467 PolarHBondContact O-N 3.02Å; C463-L467 VanDerWaalsContact O-N 3.09Å; C463-V553 HydrophobicContact CB-CG1 3.96Å; C463-V557 HydrophobicContact CB-CG2 3.9Å
464	W	92.5	Very high	87.9	Confident	1 Å²	1	12.3 Å²	12.3	0%	0.004	7%	0.066	C	C	.	.	H	α-helix	trans	-52.5	-37	-173.3	70.4	-90.2	0	0	0	113.3	L413 L460 L467 L468 P503 L507 P634 I637 A638	L413-W464 HydrophobicContact CD2-CE3 3.93Å; L460-W464 HydrophobicContact CD1-CB 3.78Å; L460-W464 HydrophobicContact CG-CB 4.25Å; L460-W464 WeakPolarHBondContact O-CB 3.23Å; L460-W464 PolarHBondContact O-N 3.02Å; W464-L467 PolarHBondContact O-N 3.12Å; W464-L468 HydrophobicContact CE3-CD2 4.38Å; W464-L468 HydrophobicContact CZ3-CD2 3.95Å; W464-L468 VanDerWaalsContact O-CB 3.26Å; W464-L468 WeakPolarHBondContact O-CB 3.28Å; W464-L468 PolarHBondContact O-N 2.66Å; W464-P503 HydrophobicContact CD2-CB 3.58Å; W464-P503 HydrophobicContact CD2-CG 4.41Å; W464-P503 HydrophobicContact CE3-CB 3.69Å; W464-P503 HydrophobicContact CE3-CG 4.08Å; W464-P503 HydrophobicContact CG-CB 4.34Å; W464-P503 HydrophobicContact CH2-CB 3.75Å; W464-P503 HydrophobicContact CH2-CG 3.6Å; W464-P503 HydrophobicContact CZ2-CB 3.6Å; W464-P503 HydrophobicContact CZ2-CG 3.93Å; W464-P503 HydrophobicContact CZ3-CB 3.77Å; W464-P503 HydrophobicContact CZ3-CG 3.67Å; W464-L507 HydrophobicContact CZ2-CD2 4.3Å; W464-P634 WeakPolarHBondContact CH2-O 3.34Å; W464-P634 HydrophobicContact CZ2-CB 3.7Å; W464-P634 WeakPolarHBondContact CZ2-O 3.18Å; W464-I637 HydrophobicContact CH2-CB 4.21Å; W464-I637 HydrophobicContact CH2-CG2 3.85Å; W464-I637 HydrophobicContact CZ3-CG2 3.77Å; W464-A638 HydrophobicContact CH2-CB 3.81Å; W464-A638 HydrophobicContact CZ2-CB 4.22Å
465	Q	91.8	Very high	88.9	Confident	11 Å²	11	15.4 Å²	15.4	5%	0.051	8%	0.083	C	C	.	.	H	α-helix	trans	-67.9	-37.6	-178.6	73.1	-73.2	2.1	0	0	112.2	Q462 C463 A469 P634 I637	Q462-Q465 PolarHBondContact O-NE2 3.48Å; Q462-Q465 PolarHBondContact O-OE1 3.2Å; C463-Q465 PolarHBondContact O-N 3.05Å; C463-Q465 VanDerWaalsContact O-N 3.07Å; Q465-A469 WeakPolarHBondContact O-CB 3.43Å; Q465-A469 PolarHBondContact O-N 3.14Å; Q465-P634 HydrophobicContact CB-CB 3.99Å; Q465-P634 HydrophobicContact CG-CB 3.77Å; Q465-I637 HydrophobicContact CB-CB 4.28Å; Q465-I637 HydrophobicContact CB-CG1 4.25Å; Q465-I637 HydrophobicContact CB-CG2 4.24Å
466	K	93.8	Very high	89.5	Confident	16 Å²	16	17.6 Å²	17.6	7%	0.07	10%	0.099	C	C	.	.	H	α-helix	trans	-72.1	-43.2	177.2	-63.1	178.8	-179.1	173.9	0	110.1	C463 L468 A469 L470 V553 L563 L629	C463-K466 PolarHBondContact O-N 3.39Å; K466-L468 VanDerWaalsContact C-N 3.34Å; K466-L468 PolarHBondContact O-N 3.13Å; K466-A469 PolarHBondContact O-N 3.42Å; K466-L470 WeakPolarHBondContact O-CG 3.36Å; K466-L470 PolarHBondContact O-N 3.1Å; K466-V553 HydrophobicContact CB-CG1 3.88Å; K466-V553 HydrophobicContact CD-CG1 4.35Å; K466-L563 HydrophobicContact CD-CD2 4.11Å; K466-L629 HydrophobicContact CB-CD1 3.88Å; K466-L629 HydrophobicContact CB-CG 4.21Å; K466-L629 HydrophobicContact CG-CD1 4.16Å; K466-L629 HydrophobicContact CG-CG 4.32Å
467	L	94.9	Very high	89.5	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.2	-37.3	175.6	-63.8	175.5	0	0	0	112.1	I416 F419 V420 C463 W464 L470 S471 R550 V553 L554	I416-L467 HydrophobicContact CD1-CB 4.09Å; I416-L467 HydrophobicContact CG1-CB 4.08Å; I416-L467 HydrophobicContact CG2-CB 3.83Å; I416-L467 HydrophobicContact CG2-CD1 3.78Å; I416-L467 HydrophobicContact CG2-CG 4.47Å; F419-L467 HydrophobicContact CD1-CD1 4.42Å; F419-L467 HydrophobicContact CE1-CD2 4.47Å; V420-L467 HydrophobicContact CG2-CD1 3.59Å; C463-L467 PolarHBondContact O-N 3.02Å; C463-L467 VanDerWaalsContact O-N 3.09Å; W464-L467 PolarHBondContact O-N 3.12Å; L467-L470 PolarHBondContact O-N 3.1Å; L467-S471 PolarHBondContact O-N 3.18Å; L467-S471 PolarHBondContact O-OG 3.06Å; L467-R550 HydrophobicContact CD2-CB 3.95Å; L467-R550 HydrophobicContact CD2-CG 3.89Å; L467-V553 HydrophobicContact CD2-CB 3.98Å; L467-V553 HydrophobicContact CD2-CG1 3.68Å; L467-V553 HydrophobicContact CG-CG1 3.9Å; L467-L554 HydrophobicContact CD1-CD2 4.21Å
468	L	94.1	Very high	89.4	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.4	-44.2	175.2	-177.8	63.5	0	0	0	111.4	I409 W412 L413 I416 W464 K466 L470 S471 M472 I637	I409-L468 HydrophobicContact CG2-CD1 4.36Å; I409-L468 HydrophobicContact CG2-CD2 4.32Å; W412-L468 HydrophobicContact CB-CD1 4.05Å; W412-L468 HydrophobicContact CE3-CD1 4.22Å; L413-L468 HydrophobicContact CD2-CD1 4.48Å; L413-L468 HydrophobicContact CD2-CD2 4.26Å; L413-L468 HydrophobicContact CG-CD1 4.42Å; I416-L468 VanDerWaalsContact CD1-CA 3.5Å; I416-L468 HydrophobicContact CD1-CB 3.94Å; I416-L468 HydrophobicContact CD1-CD1 4.17Å; W464-L468 HydrophobicContact CE3-CD2 4.38Å; W464-L468 HydrophobicContact CZ3-CD2 3.95Å; W464-L468 VanDerWaalsContact O-CB 3.26Å; W464-L468 WeakPolarHBondContact O-CB 3.28Å; W464-L468 PolarHBondContact O-N 2.66Å; K466-L468 VanDerWaalsContact C-N 3.34Å; K466-L468 PolarHBondContact O-N 3.13Å; L468-L470 PolarHBondContact O-N 2.89Å; L468-S471 PolarHBondContact O-N 3.05Å; L468-M472 HydrophobicContact CD1-CE 4.15Å; L468-M472 HydrophobicContact CD2-CE 3.96Å; L468-M472 HydrophobicContact CG-CE 3.76Å; L468-M472 WeakPolarHBondContact O-CG 3.46Å; L468-M472 PolarHBondContact O-N 3.15Å; L468-I637 HydrophobicContact CD2-CG2 3.99Å
469	A	92.9	Very high	89.6	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.5	-42.2	175.6	0	0	0	0	0	112.1	Q465 K466 M472 V473 F532 L629 M632	Q465-A469 WeakPolarHBondContact O-CB 3.43Å; Q465-A469 PolarHBondContact O-N 3.14Å; K466-A469 PolarHBondContact O-N 3.42Å; A469-M472 WeakPolarHBondContact O-CB 3.42Å; A469-M472 PolarHBondContact O-N 3Å; A469-V473 PolarHBondContact O-N 3.19Å; A469-F532 HydrophobicContact CB-CE1 3.7Å; A469-F532 HydrophobicContact CB-CZ 4.04Å; A469-L629 HydrophobicContact CB-CD1 3.97Å; A469-M632 HydrophobicContact CB-CE 3.99Å; A469-M632 HydrophobicContact CB-SD 3.49Å; A469-M632 WeakPolarHBondContact CB-SD 3.46Å
470	L	94.5	Very high	89.5	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.3	-44.8	173.6	-72.3	175.9	0	0	0	112.6	K466 L467 L468 M472 V473 E474 F532 L549 R550 V553 L629	K466-L470 WeakPolarHBondContact O-CG 3.36Å; K466-L470 PolarHBondContact O-N 3.1Å; L467-L470 PolarHBondContact O-N 3.1Å; L468-L470 PolarHBondContact O-N 2.89Å; L470-M472 VanDerWaalsContact C-N 3.27Å; L470-M472 PolarHBondContact O-N 3.03Å; L470-V473 PolarHBondContact O-N 3.3Å; L470-V473 VanDerWaalsContact O-N 3.11Å; L470-E474 PolarHBondContact O-N 3.28Å; L470-F532 HydrophobicContact CD2-CZ 4.28Å; L470-L549 HydrophobicContact CD1-CD2 4.16Å; L470-L549 HydrophobicContact CD1-CG 3.96Å; L470-L549 HydrophobicContact CD2-CD2 3.56Å; L470-L549 HydrophobicContact CD2-CG 4.28Å; L470-R550 HydrophobicContact CD1-CG 4.42Å; L470-V553 HydrophobicContact CD1-CG2 3.98Å; L470-L629 HydrophobicContact CD1-CD2 4.16Å; L470-L629 HydrophobicContact CD2-CD2 3.86Å; L470-L629 HydrophobicContact CG-CD2 3.93Å
471	S	93.6	Very high	89.3	Confident	4 Å²	4	28.6 Å²	28.6	3%	0.028	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-30.9	176.2	-65.5	0	0	0	0	112.7	L467 L468 N475 R550	L467-S471 PolarHBondContact O-N 3.18Å; L467-S471 PolarHBondContact O-OG 3.06Å; L468-S471 PolarHBondContact O-N 3.05Å; S471-N475 WeakPolarHBondContact O-CB 3.32Å; S471-N475 PolarHBondContact O-N 3.45Å; S471-N475 VanDerWaalsContact O-N 3.14Å; S471-N475 PolarHBondContact O-ND2 3.01Å; S471-R550 PolarHBondContact OG-NH2 3.22Å; S471-R550 VanDerWaalsContact OG-NH2 3.08Å
472	M	91.5	Very high	89.4	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-36.8	171.6	-70.4	169	174.7	0	0	112.7	I409 W412 L468 A469 L470 S476 L477 L533 F641	I409-M472 HydrophobicContact CD1-CE 4.17Å; I409-M472 HydrophobicContact CG1-CE 3.99Å; W412-M472 HydrophobicContact CE3-CG 4.28Å; W412-M472 HydrophobicContact CZ3-CG 3.76Å; L468-M472 HydrophobicContact CD1-CE 4.15Å; L468-M472 HydrophobicContact CD2-CE 3.96Å; L468-M472 HydrophobicContact CG-CE 3.76Å; L468-M472 WeakPolarHBondContact O-CG 3.46Å; L468-M472 PolarHBondContact O-N 3.15Å; A469-M472 WeakPolarHBondContact O-CB 3.42Å; A469-M472 PolarHBondContact O-N 3Å; L470-M472 VanDerWaalsContact C-N 3.27Å; L470-M472 PolarHBondContact O-N 3.03Å; M472-S476 PolarHBondContact O-N 3.42Å; M472-L477 HydrophobicContact CB-CB 4.22Å; M472-L477 HydrophobicContact CB-CD2 4.41Å; M472-L477 HydrophobicContact CE-CD2 4.49Å; M472-L477 HydrophobicContact CG-CD2 3.93Å; M472-L477 WeakPolarHBondContact O-CB 3.24Å; M472-L477 PolarHBondContact O-N 3.32Å; M472-L477 HydrophobicContact SD-CD2 4.43Å; M472-L533 HydrophobicContact CB-CD2 3.96Å; M472-F641 HydrophobicContact CE-CB 4.12Å; M472-F641 HydrophobicContact CE-CD1 3.59Å; M472-F641 HydrophobicContact CE-CD2 3.58Å; M472-F641 HydrophobicContact CE-CE1 3.75Å; M472-F641 HydrophobicContact CE-CE2 3.72Å; M472-F641 HydrophobicContact CE-CG 3.5Å; M472-F641 VanDerWaalsContact CE-CG 3.5Å; M472-F641 HydrophobicContact CE-CZ 3.8Å; M472-F641 HydrophobicContact SD-CD2 4.28Å; M472-F641 HydrophobicContact SD-CE1 4.22Å; M472-F641 HydrophobicContact SD-CE2 3.83Å; M472-F641 HydrophobicContact SD-CZ 3.79Å
473	V	92.3	Very high	89.3	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-71.2	-51.6	175.7	-173.1	0	0	0	0	111.1	A469 L470 N475 S476 F532 L533 I536 R537 F546	A469-V473 PolarHBondContact O-N 3.19Å; L470-V473 PolarHBondContact O-N 3.3Å; L470-V473 VanDerWaalsContact O-N 3.11Å; V473-N475 PolarHBondContact O-N 3.42Å; V473-S476 WeakPolarHBondContact O-CA 3.46Å; V473-S476 PolarHBondContact O-N 2.97Å; V473-F532 HydrophobicContact CG2-CD1 4.32Å; V473-F532 HydrophobicContact CG2-CE1 3.55Å; V473-F532 HydrophobicContact CG2-CZ 3.86Å; V473-L533 HydrophobicContact CG2-CD2 3.48Å; V473-L533 VanDerWaalsContact CG2-CD2 3.48Å; V473-I536 HydrophobicContact CB-CG2 4.26Å; V473-I536 HydrophobicContact CG1-CB 3.98Å; V473-I536 HydrophobicContact CG1-CG2 3.79Å; V473-I536 HydrophobicContact CG2-CB 4.16Å; V473-I536 HydrophobicContact CG2-CG2 4.29Å; V473-R537 HydrophobicContact CG1-CB 4.09Å; V473-F546 HydrophobicContact CB-CE1 4.26Å; V473-F546 HydrophobicContact CB-CZ 4.39Å; V473-F546 HydrophobicContact CG1-CE1 4.39Å; V473-F546 HydrophobicContact CG1-CZ 4.11Å
474	E	92.2	Very high	88.8	Confident	59 Å²	59	31.5 Å²	31.5	28%	0.276	18%	0.175	S	C	.	.	H	α-helix	trans	-55.3	-41.1	-177.9	-178.2	-170.8	-113.1	0	0	111.6	L470 S476 F546 R550	L470-E474 PolarHBondContact O-N 3.28Å; E474-S476 VanDerWaalsContact C-N 3.27Å; E474-S476 PolarHBondContact O-N 2.94Å; E474-F546 HydrophobicContact CB-CD1 4.09Å; E474-F546 HydrophobicContact CB-CD2 4.04Å; E474-F546 HydrophobicContact CB-CE1 4.08Å; E474-F546 HydrophobicContact CB-CE2 4.02Å; E474-F546 HydrophobicContact CB-CG 4.08Å; E474-F546 HydrophobicContact CB-CZ 4.05Å; E474-F546 HydrophobicContact CG-CD2 3.85Å; E474-F546 HydrophobicContact CG-CE2 4.16Å; E474-F546 HydrophobicContact CG-CG 4.11Å; E474-F546 WeakPolarHBondContact OE1-CB 3.27Å; E474-R550 VanDerWaalsContact CD-NH2 3.27Å; E474-R550 IonicContact OE1-CZ 3.67Å; E474-R550 IonicContact OE1-NH1 3.69Å; E474-R550 PolarHBondContact OE1-NH1 2.96Å; E474-R550 IonicContact OE1-NH2 2.69Å; E474-R550 PolarHBondContact OE1-NH2 2.83Å; E474-R550 IonicContact OE2-CZ 3.93Å; E474-R550 IonicContact OE2-NH1 2.8Å; E474-R550 IonicContact OE2-NH2 3.67Å; E474-R550 PolarHBondContact OE2-NH2 2.98Å
475	N	89.4	Confident	88	Confident	72 Å²	72	40.3 Å²	40.3	39%	0.385	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	11.5	178.6	-68	-98	0	0	0	113.6	W412 S471 V473 L477	W412-N475 HydrophobicContact CH2-CB 3.96Å; W412-N475 HydrophobicContact CZ2-CB 3.33Å; S471-N475 WeakPolarHBondContact O-CB 3.32Å; S471-N475 PolarHBondContact O-N 3.45Å; S471-N475 VanDerWaalsContact O-N 3.14Å; S471-N475 PolarHBondContact O-ND2 3.01Å; V473-N475 PolarHBondContact O-N 3.42Å; N475-L477 PolarHBondContact O-N 3.39Å
476	S	85.9	Confident	86.9	Confident	66 Å²	66	42.4 Å²	42.4	46%	0.462	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	57	-179.9	-66.3	0	0	0	0	113.1	M472 V473 E474 D478	M472-S476 PolarHBondContact O-N 3.42Å; V473-S476 WeakPolarHBondContact O-CA 3.46Å; V473-S476 PolarHBondContact O-N 2.97Å; E474-S476 VanDerWaalsContact C-N 3.27Å; E474-S476 PolarHBondContact O-N 2.94Å; S476-D478 PolarHBondContact O-N 2.93Å
477	L	84.1	Confident	85.2	Confident	6 Å²	6	46.6 Å²	46.6	3%	0.031	26%	0.259	C	S	.	.			trans	-69.6	120.6	-179.3	-170.3	72.3	0	0	0	111.2	V405 W412 M472 N475 V479 F641	V405-L477 HydrophobicContact CG1-CD2 4.17Å; V405-L477 HydrophobicContact CG2-CD1 4.05Å; V405-L477 HydrophobicContact CG2-CD2 4.34Å; V405-L477 HydrophobicContact CG2-CG 4.49Å; W412-L477 HydrophobicContact CH2-CB 4.21Å; W412-L477 HydrophobicContact CH2-CD1 3.93Å; W412-L477 HydrophobicContact CH2-CD2 4.4Å; W412-L477 HydrophobicContact CH2-CG 4.4Å; W412-L477 HydrophobicContact CZ3-CD1 4.38Å; W412-L477 HydrophobicContact CZ3-CD2 4.13Å; M472-L477 HydrophobicContact CB-CB 4.22Å; M472-L477 HydrophobicContact CB-CD2 4.41Å; M472-L477 HydrophobicContact CE-CD2 4.49Å; M472-L477 HydrophobicContact CG-CD2 3.93Å; M472-L477 WeakPolarHBondContact O-CB 3.24Å; M472-L477 PolarHBondContact O-N 3.32Å; M472-L477 HydrophobicContact SD-CD2 4.43Å; N475-L477 PolarHBondContact O-N 3.39Å; L477-V479 HydrophobicContact CB-CG2 4.39Å; L477-V479 HydrophobicContact CD2-CG2 3.63Å; L477-V479 HydrophobicContact CG-CG2 3.89Å; L477-V479 PolarHBondContact O-N 3.49Å; L477-F641 HydrophobicContact CD2-CE1 4.42Å
478	D	81.2	Confident	83.3	Confident	123 Å²	123	50.4 Å²	50.4	66%	0.658	27%	0.273	S	S	*	.			trans	-77.9	104.5	168.4	-69.7	-36.8	0	0	0	110.1	S476	S476-D478 PolarHBondContact O-N 2.93Å
479	V	82.5	Confident	81.2	Confident	18 Å²	18	56.7 Å²	56.7	11%	0.109	30%	0.303	C	S	.	.			trans	-101.3	112.7	179.9	-175.6	0	0	0	0	109.3	L397 L477 V481 L530 L533 F641	L397-V479 HydrophobicContact CD2-CG1 3.79Å; L477-V479 HydrophobicContact CB-CG2 4.39Å; L477-V479 HydrophobicContact CD2-CG2 3.63Å; L477-V479 HydrophobicContact CG-CG2 3.89Å; L477-V479 PolarHBondContact O-N 3.49Å; V479-V481 HydrophobicContact CG1-CG2 3.85Å; V479-L530 HydrophobicContact CB-CD2 4.2Å; V479-L533 HydrophobicContact CB-CD1 4.47Å; V479-L533 HydrophobicContact CG2-CD1 3.93Å; V479-F641 HydrophobicContact CG1-CE1 4.14Å; V479-F641 HydrophobicContact CG1-CZ 4.13Å; V479-F641 HydrophobicContact CG2-CE1 4.17Å; V479-F641 HydrophobicContact CG2-CZ 4.2Å
480	V	83.4	Confident	79	Confident	75 Å²	75	61.3 Å²	61.3	46%	0.455	32%	0.324	S	S	.	.			trans	-107.2	122.9	170.1	-175.9	0	0	0	0	109	A398 T401	A398-V480 HydrophobicContact CB-CB 4.14Å; A398-V480 HydrophobicContact CB-CG1 3.99Å; A398-V480 PolarHBondContact N-O 2.85Å; T401-V480 HydrophobicContact CG2-CB 3.92Å; T401-V480 HydrophobicContact CG2-CG2 3.99Å; T401-V480 PolarHBondContact OG1-O 3.46Å
481	V	85.4	Confident	76.7	Confident	35 Å²	35	67.7 Å²	67.7	21%	0.212	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.3	-176	-179.4	0	0	0	0	109.2	V395 Q396 V479	V395-V481 HydrophobicContact CB-CG1 3.4Å; V395-V481 HydrophobicContact CG1-CG1 3.91Å; V395-V481 HydrophobicContact CG2-CG1 3.67Å; Q396-V481 WeakPolarHBondContact O-CA 3.35Å; V479-V481 HydrophobicContact CG1-CG2 3.85Å
482	V	85.5	Confident	74.8	Confident	70 Å²	70	71.5 Å²	71.5	42%	0.424	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.5	-178.4	-179.8	0	0	0	0	108.8	V395 Q396 A398 D484	V395-V482 CarbonylContact C-O 3.6Å; V395-V482 WeakPolarHBondContact CA-O 3.4Å; Q396-V482 PolarHBondContact N-O 2.96Å; Q396-V482 PolarHBondContact O-N 3.28Å; A398-V482 HydrophobicContact CB-CG2 3.65Å; V482-D484 PolarHBondContact O-N 2.88Å
483	E	83.9	Confident	72.8	Confident	75 Å²	75	79.3 Å²	79.3	35%	0.35	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	130.5	175.7	-60.7	-177.9	165.1	0	0	111	P393 Y394 R523	P393-E483 HydrophobicContact CB-CG 4.05Å; Y394-E483 WeakPolarHBondContact O-CA 3.43Å; E483-R523 IonicContact OE1-NH1 2.83Å; E483-R523 PolarHBondContact OE1-NH1 3Å
484	D	79.2	Confident	71	Confident	27 Å²	27	81 Å²	81	14%	0.144	42%	0.419	C	S	.	.			trans	-89	109	177.8	-179.4	21.9	0	0	0	109.9	Y394 Q396 V482 S486 R520	Y394-D484 PolarHBondContact O-N 3.41Å; Q396-D484 HydrophobicContact CB-CB 4.16Å; Q396-D484 HydrophobicContact CG-CB 3.99Å; Q396-D484 PolarHBondContact NE2-OD1 3.27Å; V482-D484 PolarHBondContact O-N 2.88Å; D484-S486 WeakPolarHBondContact OD1-CB 3.44Å; D484-S486 PolarHBondContact OD1-N 3.16Å; D484-S486 PolarHBondContact OD1-OG 3.11Å; D484-S486 PolarHBondContact OD2-OG 3.37Å; D484-R520 IonicContact OD2-CZ 3.59Å; D484-R520 IonicContact OD2-NH1 2.72Å; D484-R520 PolarHBondContact OD2-NH1 3.27Å
485	K	74.9	Confident	68.9	Low	185 Å²	185	86.8 Å²	86.8	80%	0.804	45%	0.446	S	S	*	.			trans	-98.3	10.6	175.6	-56.9	-172.3	-175.4	-172.7	0	112.5
486	S	69	Low	67.3	Low	56 Å²	56	87.9 Å²	87.9	39%	0.392	45%	0.451	S	S	.	.			trans	-67.3	141.7	178	64.7	0	0	0	0	110.9	D484 R520	D484-S486 WeakPolarHBondContact OD1-CB 3.44Å; D484-S486 PolarHBondContact OD1-N 3.16Å; D484-S486 PolarHBondContact OD1-OG 3.11Å; D484-S486 PolarHBondContact OD2-OG 3.37Å; S486-R520 PolarHBondContact O-NH1 2.96Å; S486-R520 PolarHBondContact OG-NH1 3.46Å
487	P	58.7	Low	66	Low	104 Å²	104	87 Å²	87	68%	0.675	44%	0.444	S	S	*	.			trans	-57.7	153.1	174.2	25	-33.6	0	0	0	111.1	E489 R520	P487-E489 PolarHBondContact O-N 3.47Å; P487-R520 PolarHBondContact O-NH2 3.42Å
488	Y	54.6	Low	64.8	Low	79 Å²	79	90.5 Å²	90.5	31%	0.31	47%	0.465	S	S	.	.			trans	-80.7	90	-177.9	-157.4	-113	0	0	0	110.6	E490 N518 R520	Y488-E490 HydrophobicContact CD1-CB 3.54Å; Y488-E490 HydrophobicContact CD1-CG 3.83Å; Y488-E490 HydrophobicContact CE1-CB 3.62Å; Y488-E490 HydrophobicContact CE1-CG 3.5Å; Y488-E490 WeakPolarHBondContact CE1-OE1 3.39Å; Y488-E490 PolarHBondContact O-N 3.11Å; Y488-N518 PolarHBondContact OH-OD1 2.72Å; Y488-R520 HydrophobicContact CE2-CG 4.08Å
489	E	51.5	Low	63.9	Low	132 Å²	132	90.2 Å²	90.2	62%	0.617	46%	0.464	S	S	*	.			trans	-71.3	83.4	163.9	-68.4	-171.4	178.1	0	0	108.6	P487 N491 H492	P487-E489 PolarHBondContact O-N 3.47Å; E489-N491 VanDerWaalsContact C-N 3.32Å; E489-N491 PolarHBondContact O-N 3.35Å; E489-H492 IonicContact OE2-CE1 3.81Å; E489-H492 PolarHBondContact OE2-CE1 2.85Å; E489-H492 IonicContact OE2-NE2 3.16Å
490	E	46.7	Very low	63.1	Low	97 Å²	97	90 Å²	90	45%	0.453	46%	0.462	S	S	.	.			trans	-66.9	-29.4	-170.1	-170.5	133.2	-143.5	0	0	113.3	Y488 N518	Y488-E490 HydrophobicContact CD1-CB 3.54Å; Y488-E490 HydrophobicContact CD1-CG 3.83Å; Y488-E490 HydrophobicContact CE1-CB 3.62Å; Y488-E490 HydrophobicContact CE1-CG 3.5Å; Y488-E490 WeakPolarHBondContact CE1-OE1 3.39Å; Y488-E490 PolarHBondContact O-N 3.11Å; E490-N518 PolarHBondContact OE1-ND2 3.26Å
491	N	45.1	Very low	62.8	Low	135 Å²	135	86.5 Å²	86.5	72%	0.722	44%	0.441	S	S	*	.			trans	-131.8	79.5	-168.4	-67.6	-57.2	0	0	0	112.5	E489 Q493	E489-N491 VanDerWaalsContact C-N 3.32Å; E489-N491 PolarHBondContact O-N 3.35Å; N491-Q493 PolarHBondContact O-N 2.88Å
492	H	53.2	Low	62.3	Low	83 Å²	83	84.9 Å²	84.9	38%	0.384	43%	0.431	S	S	.	.			trans	-83.1	90.2	153.7	-73.4	-13.2	0	0	0	108.9	E489 Y494	E489-H492 IonicContact OE2-CE1 3.81Å; E489-H492 PolarHBondContact OE2-CE1 2.85Å; E489-H492 IonicContact OE2-NE2 3.16Å; H492-Y494 HydrophobicContact CB-CE2 4.02Å; H492-Y494 WeakPolarHBondContact O-CD2 3.46Å; H492-Y494 PolarHBondContact O-N 3.31Å
493	Q	50.4	Low	61.9	Low	165 Å²	165	81.5 Å²	81.5	77%	0.771	41%	0.411	S	S	*	.			trans	-71.1	105.3	164.5	-170.5	175.8	19.3	0	0	107.8	N491 Q495	N491-Q493 PolarHBondContact O-N 2.88Å; Q493-Q495 PolarHBondContact O-N 3.03Å; Q493-Q495 VanDerWaalsContact O-N 3.12Å
494	Y	54.3	Low	61.7	Low	40 Å²	40	78.2 Å²	78.2	16%	0.157	40%	0.395	C	S	.	.			trans	-71	107.7	178.3	-71.8	-86.1	0	0	0	109.3	H492 D496 L500 T516 R646	H492-Y494 HydrophobicContact CB-CE2 4.02Å; H492-Y494 WeakPolarHBondContact O-CD2 3.46Å; H492-Y494 PolarHBondContact O-N 3.31Å; Y494-D496 PolarHBondContact O-N 3.36Å; Y494-L500 HydrophobicContact CD1-CD2 3.76Å; Y494-L500 HydrophobicContact CD1-CG 4.47Å; Y494-L500 HydrophobicContact CE1-CD2 3.73Å; Y494-L500 HydrophobicContact CG-CD2 4.44Å; Y494-T516 HydrophobicContact CE2-CG2 4.06Å; Y494-R646 VanDerWaalsContact OH-CD 3.31Å; Y494-R646 WeakPolarHBondContact OH-CD 3.17Å; Y494-R646 PolarHBondContact OH-NE 3.11Å
495	Q	47.8	Very low	61.4	Low	180 Å²	180	77.1 Å²	77.1	84%	0.841	39%	0.389	S	S	*	.	S	Bend	trans	-63.7	-25.8	-176.7	-73.3	-172.3	-20.4	0	0	113.3	Q493	Q493-Q495 PolarHBondContact O-N 3.03Å; Q493-Q495 VanDerWaalsContact O-N 3.12Å
496	D	56.6	Low	61.6	Low	94 Å²	94	68.5 Å²	68.5	50%	0.503	35%	0.352	S	S	.	.			trans	-137.7	107.1	173.6	-80.8	-55.6	0	0	0	111.3	Y494 V498 N499	Y494-D496 PolarHBondContact O-N 3.36Å; D496-V498 PolarHBondContact O-N 2.83Å; D496-N499 WeakPolarHBondContact CB-ND2 3.47Å; D496-N499 PolarHBondContact O-N 2.81Å
497	P	58.4	Low	61.9	Low	47 Å²	47	66 Å²	66	31%	0.305	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-66.1	-16	174	27.6	-34.6	0	0	0	112.8	N499 L500	P497-N499 PolarHBondContact O-N 2.8Å; P497-L500 PolarHBondContact O-N 2.95Å
498	V	57.5	Low	62.5	Low	80 Å²	80	64.1 Å²	64.1	49%	0.485	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-65.3	-26.2	178.4	-173.9	0	0	0	0	112.4	D496	D496-V498 PolarHBondContact O-N 2.83Å
499	N	62.6	Low	63	Low	117 Å²	117	62.8 Å²	62.8	63%	0.626	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-88.8	-0.5	-177.8	-67.9	-39.2	0	0	0	113.9	D496 P497	D496-N499 WeakPolarHBondContact CB-ND2 3.47Å; D496-N499 PolarHBondContact O-N 2.81Å; P497-N499 PolarHBondContact O-N 2.8Å
500	L	65.7	Low	63.7	Low	14 Å²	14	56.7 Å²	56.7	7%	0.073	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-80.5	135.5	179.2	-68.5	172.2	0	0	0	111.8	Y494 P497 W504 S505 I510	Y494-L500 HydrophobicContact CD1-CD2 3.76Å; Y494-L500 HydrophobicContact CD1-CG 4.47Å; Y494-L500 HydrophobicContact CE1-CD2 3.73Å; Y494-L500 HydrophobicContact CG-CD2 4.44Å; P497-L500 PolarHBondContact O-N 2.95Å; L500-W504 HydrophobicContact CB-CB 4.24Å; L500-W504 HydrophobicContact CD1-CB 4.42Å; L500-W504 HydrophobicContact CD2-CB 4.18Å; L500-S505 WeakPolarHBondContact O-CB 3.48Å; L500-I510 HydrophobicContact CD1-CG2 3.51Å
501	E	77.3	Confident	64.4	Low	2 Å²	2	53.3 Å²	53.3	1%	0.009	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-81.7	166.4	170.8	-66	174.2	-71.4	0	0	112.2	W504 S505 L645 S648 S649 I650 L651	E501-W504 PolarHBondContact O-N 3.44Å; E501-S505 PolarHBondContact O-N 3.48Å; E501-S505 PolarHBondContact O-OG 2.85Å; E501-L645 HydrophobicContact CB-CB 4.32Å; E501-L645 WeakPolarHBondContact CB-O 3.41Å; E501-L645 VanDerWaalsContact OE1-CA 3.29Å; E501-L645 WeakPolarHBondContact OE1-CA 3.47Å; E501-S648 WeakPolarHBondContact OE1-CA 3.46Å; E501-S648 WeakPolarHBondContact OE1-CB 3.43Å; E501-S648 PolarHBondContact OE1-N 3.37Å; E501-S648 VanDerWaalsContact OE1-N 3.07Å; E501-S648 PolarHBondContact OE1-OG 2.7Å; E501-S648 VanDerWaalsContact OE2-C 3.29Å; E501-S648 PolarHBondContact OE2-OG 2.91Å; E501-S649 PolarHBondContact OE2-N 2.78Å; E501-I650 PolarHBondContact OE2-N 2.69Å; E501-L651 WeakPolarHBondContact CA-O 3.39Å; E501-L651 HydrophobicContact CB-CB 4.16Å; E501-L651 WeakPolarHBondContact CB-O 3.42Å; E501-L651 HydrophobicContact CG-CB 4.47Å; E501-L651 PolarHBondContact OE2-N 3Å
502	I	74.5	Confident	65.2	Low	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	134.2	164.3	-63.6	174.6	0	0	0	108.9	T417 L460 S505 L506 L645 L651 I656	T417-I502 HydrophobicContact CG2-CD1 4.05Å; L460-I502 HydrophobicContact CD2-CD1 4.42Å; I502-S505 PolarHBondContact N-OG 3.1Å; I502-L506 HydrophobicContact CG1-CD1 4.39Å; I502-L506 HydrophobicContact CG1-CG 4.44Å; I502-L506 HydrophobicContact CG2-CD1 3.96Å; I502-L645 WeakPolarHBondContact O-CD1 3.43Å; I502-L651 HydrophobicContact CB-CB 4.21Å; I502-L651 HydrophobicContact CB-CD1 4.47Å; I502-L651 PolarHBondContact N-O 3.33Å; I502-I656 HydrophobicContact CD1-CD1 4.18Å; I502-I656 HydrophobicContact CD1-CG1 3.98Å; I502-I656 HydrophobicContact CG1-CD1 4.28Å
503	P	77.8	Confident	65.6	Low	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.1	-4	6.7	37.6	-35.2	0	0	0	114.6	W464 S505 L506 A638 C642	W464-P503 HydrophobicContact CD2-CB 3.58Å; W464-P503 HydrophobicContact CD2-CG 4.41Å; W464-P503 HydrophobicContact CE3-CB 3.69Å; W464-P503 HydrophobicContact CE3-CG 4.08Å; W464-P503 HydrophobicContact CG-CB 4.34Å; W464-P503 HydrophobicContact CH2-CB 3.75Å; W464-P503 HydrophobicContact CH2-CG 3.6Å; W464-P503 HydrophobicContact CZ2-CB 3.6Å; W464-P503 HydrophobicContact CZ2-CG 3.93Å; W464-P503 HydrophobicContact CZ3-CB 3.77Å; W464-P503 HydrophobicContact CZ3-CG 3.67Å; P503-S505 VanDerWaalsContact C-N 3.27Å; P503-S505 PolarHBondContact O-N 3.01Å; P503-L506 WeakPolarHBondContact O-CB 3.37Å; P503-L506 PolarHBondContact O-N 3.42Å; P503-A638 HydrophobicContact CG-CB 4.19Å; P503-C642 HydrophobicContact CG-CB 3.9Å
504	W	79.2	Confident	65.8	Low	6 Å²	6	49 Å²	49	2%	0.023	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-60.1	-37.7	-175.4	-61.8	104.6	0	0	0	112.2	L500 E501 L506 L507 I510 T516 A638 C642 R646	L500-W504 HydrophobicContact CB-CB 4.24Å; L500-W504 HydrophobicContact CD1-CB 4.42Å; L500-W504 HydrophobicContact CD2-CB 4.18Å; E501-W504 PolarHBondContact O-N 3.44Å; W504-L506 PolarHBondContact O-N 3.37Å; W504-L507 HydrophobicContact CE3-CD1 3.78Å; W504-L507 HydrophobicContact CZ3-CD1 4.17Å; W504-L507 PolarHBondContact O-N 2.99Å; W504-I510 HydrophobicContact CE3-CD1 3.61Å; W504-I510 HydrophobicContact CZ3-CD1 4.28Å; W504-T516 HydrophobicContact CZ3-CG2 4.42Å; W504-A638 HydrophobicContact CE3-CB 4.4Å; W504-A638 HydrophobicContact CH2-CB 3.86Å; W504-A638 HydrophobicContact CZ2-CB 4.02Å; W504-A638 WeakPolarHBondContact CZ2-O 3.29Å; W504-A638 HydrophobicContact CZ3-CB 4.07Å; W504-C642 PolarHBondContact NE1-O 3.48Å; W504-R646 HydrophobicContact CD2-CG 4.4Å; W504-R646 HydrophobicContact CG-CG 4.47Å; W504-R646 HydrophobicContact CZ2-CG 4.4Å
505	S	74.1	Confident	65.8	Low	4 Å²	4	51.2 Å²	51.2	3%	0.028	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-65.3	-13.1	174.1	58.1	0	0	0	0	115.2	L500 E501 I502 P503 Q511	L500-S505 WeakPolarHBondContact O-CB 3.48Å; E501-S505 PolarHBondContact O-N 3.48Å; E501-S505 PolarHBondContact O-OG 2.85Å; I502-S505 PolarHBondContact N-OG 3.1Å; P503-S505 VanDerWaalsContact C-N 3.27Å; P503-S505 PolarHBondContact O-N 3.01Å; S505-Q511 PolarHBondContact O-NE2 3.34Å
506	L	77.8	Confident	66.2	Low	3 Å²	3	44.3 Å²	44.3	2%	0.016	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-99.4	-7.2	179.6	-56.2	-179.8	0	0	0	113.5	L447 L457 L460 A461 I502 P503 W504	L447-L506 HydrophobicContact CD1-CD2 4.47Å; L457-L506 HydrophobicContact CD1-CD2 3.78Å; L457-L506 HydrophobicContact CD2-CD2 4.4Å; L457-L506 HydrophobicContact CG-CD2 3.8Å; L460-L506 HydrophobicContact CD2-CD1 3.78Å; L460-L506 HydrophobicContact CG-CD1 3.77Å; A461-L506 HydrophobicContact CB-CB 3.97Å; I502-L506 HydrophobicContact CG1-CD1 4.39Å; I502-L506 HydrophobicContact CG1-CG 4.44Å; I502-L506 HydrophobicContact CG2-CD1 3.96Å; P503-L506 WeakPolarHBondContact O-CB 3.37Å; P503-L506 PolarHBondContact O-N 3.42Å; W504-L506 PolarHBondContact O-N 3.37Å
507	L	77.1	Confident	66.2	Low	5 Å²	5	46.2 Å²	46.2	3%	0.026	23%	0.227	C	C	.	.			trans	-84.7	116.6	-175.6	-67.8	171.9	0	0	0	111	W464 W504 D509 I510 Q511 P634 Y635 A638	W464-L507 HydrophobicContact CZ2-CD2 4.3Å; W504-L507 HydrophobicContact CE3-CD1 3.78Å; W504-L507 HydrophobicContact CZ3-CD1 4.17Å; W504-L507 PolarHBondContact O-N 2.99Å; L507-D509 VanDerWaalsContact C-N 3.31Å; L507-D509 PolarHBondContact O-N 3.36Å; L507-I510 HydrophobicContact CB-CB 4.41Å; L507-I510 HydrophobicContact CB-CD1 3.88Å; L507-I510 HydrophobicContact CB-CG1 4Å; L507-I510 HydrophobicContact CD1-CD1 3.76Å; L507-I510 HydrophobicContact CG-CD1 4.44Å; L507-I510 WeakPolarHBondContact O-CB 3.38Å; L507-I510 PolarHBondContact O-N 3.43Å; L507-Q511 PolarHBondContact O-N 2.9Å; L507-P634 HydrophobicContact CD2-CB 3.99Å; L507-P634 HydrophobicContact CD2-CG 4.39Å; L507-Y635 HydrophobicContact CB-CE1 3.76Å; L507-Y635 HydrophobicContact CD1-CD1 3.79Å; L507-Y635 HydrophobicContact CD1-CE1 3.87Å; L507-Y635 HydrophobicContact CD2-CD1 4.15Å; L507-Y635 HydrophobicContact CD2-CD2 4.45Å; L507-Y635 HydrophobicContact CD2-CE1 3.96Å; L507-Y635 HydrophobicContact CD2-CE2 4.3Å; L507-Y635 HydrophobicContact CD2-CG 4.38Å; L507-Y635 HydrophobicContact CG-CD1 4.38Å; L507-Y635 HydrophobicContact CG-CE1 4.07Å; L507-A638 HydrophobicContact CD1-CB 4.2Å
508	L	69.6	Low	66	Low	63 Å²	63	48.6 Å²	48.6	33%	0.33	24%	0.237	S	C	.	.	H	α-helix	trans	-54.1	-38.8	-172.3	-69.1	171.4	0	0	0	114.4	Q443 I510 Q511 R512	Q443-L508 HydrophobicContact CB-CD2 4.11Å; Q443-L508 HydrophobicContact CG-CD2 3.79Å; L508-I510 VanDerWaalsContact C-N 3.33Å; L508-Q511 PolarHBondContact O-N 3.34Å; L508-R512 WeakPolarHBondContact O-CB 3.45Å; L508-R512 WeakPolarHBondContact O-CG 3.41Å; L508-R512 PolarHBondContact O-N 2.76Å
509	D	65.5	Low	66.3	Low	52 Å²	52	50.1 Å²	50.1	28%	0.278	23%	0.234	S	C	.	.	H	α-helix	trans	-71.7	-31.6	-178.7	-61.2	-48.6	0	0	0	111.7	L507 Y513 Y635	L507-D509 VanDerWaalsContact C-N 3.31Å; L507-D509 PolarHBondContact O-N 3.36Å; D509-Y513 HydrophobicContact CB-CD2 4.44Å; D509-Y513 WeakPolarHBondContact O-CB 3.49Å; D509-Y513 PolarHBondContact O-N 3.09Å; D509-Y635 HydrophobicContact CB-CE1 4.37Å; D509-Y635 VanDerWaalsContact CB-OH 3.25Å; D509-Y635 WeakPolarHBondContact CB-OH 3.34Å; D509-Y635 PolarHBondContact N-OH 3.31Å; D509-Y635 VanDerWaalsContact N-OH 3.09Å; D509-Y635 PolarHBondContact OD2-OH 3.43Å
510	I	66.4	Low	66.8	Low	3 Å²	3	46.6 Å²	46.6	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-72.9	-40.1	175.6	-52.3	-177.3	0	0	0	109.9	L500 W504 L507 L508 G514 T516	L500-I510 HydrophobicContact CD1-CG2 3.51Å; W504-I510 HydrophobicContact CE3-CD1 3.61Å; W504-I510 HydrophobicContact CZ3-CD1 4.28Å; L507-I510 HydrophobicContact CB-CB 4.41Å; L507-I510 HydrophobicContact CB-CD1 3.88Å; L507-I510 HydrophobicContact CB-CG1 4Å; L507-I510 HydrophobicContact CD1-CD1 3.76Å; L507-I510 HydrophobicContact CG-CD1 4.44Å; L507-I510 WeakPolarHBondContact O-CB 3.38Å; L507-I510 PolarHBondContact O-N 3.43Å; L508-I510 VanDerWaalsContact C-N 3.33Å; I510-G514 WeakPolarHBondContact O-CA 3.4Å; I510-G514 PolarHBondContact O-N 2.64Å; I510-G514 VanDerWaalsContact O-N 3.09Å; I510-T516 HydrophobicContact CD1-CG2 3.62Å; I510-T516 HydrophobicContact CG1-CG2 3.92Å
511	Q	62.3	Low	67.7	Low	26 Å²	26	46 Å²	46	12%	0.121	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-37.5	174.2	-67.9	176.5	-16.9	0	0	113	Q443 S505 L507 L508	Q443-Q511 PolarHBondContact O-OE1 3.31Å; S505-Q511 PolarHBondContact O-NE2 3.34Å; L507-Q511 PolarHBondContact O-N 2.9Å; L508-Q511 PolarHBondContact O-N 3.34Å
512	R	61.7	Low	68.1	Low	133 Å²	133	47.2 Å²	47.2	50%	0.502	22%	0.216	S	C	.	.	H	α-helix	trans	-90.7	-35.8	-174.2	-73.7	-176.5	173.6	-168.2	-1.5	114.7	L508	L508-R512 WeakPolarHBondContact O-CB 3.45Å; L508-R512 WeakPolarHBondContact O-CG 3.41Å; L508-R512 PolarHBondContact O-N 2.76Å
513	Y	60.6	Low	68.6	Low	144 Å²	144	50.7 Å²	50.7	57%	0.565	23%	0.229	S	C	*	.	H	α-helix	trans	-123.5	-11	-170.4	-54.7	-67.2	0	0	0	113.5	D509 E515	D509-Y513 HydrophobicContact CB-CD2 4.44Å; D509-Y513 WeakPolarHBondContact O-CB 3.49Å; D509-Y513 PolarHBondContact O-N 3.09Å; Y513-E515 PolarHBondContact O-N 2.97Å; Y513-E515 VanDerWaalsContact O-N 3.09Å
514	G	55.8	Low	69.1	Low	16 Å²	16	56.8 Å²	56.8	17%	0.165	26%	0.255	C	S	.	.	S	Bend	trans	66.6	2.9	-173.5	0	0	0	0	0	114.5	I510	I510-G514 WeakPolarHBondContact O-CA 3.4Å; I510-G514 PolarHBondContact O-N 2.64Å; I510-G514 VanDerWaalsContact O-N 3.09Å
515	E	53.3	Low	69.6	Low	86 Å²	86	56.9 Å²	56.9	40%	0.402	26%	0.256	S	S	.	.			trans	-107.8	124.6	-173.1	-73.7	177.8	-179.7	0	0	111.4	Y513 K517	Y513-E515 PolarHBondContact O-N 2.97Å; Y513-E515 VanDerWaalsContact O-N 3.09Å; E515-K517 VanDerWaalsContact C-N 3.35Å; E515-K517 HydrophobicContact CB-CG 4.33Å; E515-K517 PolarHBondContact O-N 3.35Å; E515-K517 VanDerWaalsContact O-N 3.15Å; E515-K517 WeakPolarHBondContact OE2-CE 3.26Å; E515-K517 IonicContact OE2-NZ 2.8Å
516	T	57.1	Low	70.3	Confident	35 Å²	35	56.9 Å²	56.9	22%	0.215	26%	0.256	C	S	.	.			trans	-85.1	73.1	168.2	54.6	0	0	0	0	110.9	Y494 W504 I510 N518	Y494-T516 HydrophobicContact CE2-CG2 4.06Å; W504-T516 HydrophobicContact CZ3-CG2 4.42Å; I510-T516 HydrophobicContact CD1-CG2 3.62Å; I510-T516 HydrophobicContact CG1-CG2 3.92Å; T516-N518 PolarHBondContact O-N 3.49Å
517	K	55.4	Low	70.9	Confident	135 Å²	135	61 Å²	61	59%	0.587	28%	0.278	S	S	*	.			trans	-56.6	111.9	-179	-72.4	-171.3	-179.5	179.6	0	112.4	E515 R519	E515-K517 VanDerWaalsContact C-N 3.35Å; E515-K517 HydrophobicContact CB-CG 4.33Å; E515-K517 PolarHBondContact O-N 3.35Å; E515-K517 VanDerWaalsContact O-N 3.15Å; E515-K517 WeakPolarHBondContact OE2-CE 3.26Å; E515-K517 IonicContact OE2-NZ 2.8Å; K517-R519 WeakPolarHBondContact O-CG 3.24Å; K517-R519 PolarHBondContact O-N 3.27Å; K517-R519 VanDerWaalsContact O-N 3.09Å
518	N	53.8	Low	71.5	Confident	96 Å²	96	64.9 Å²	64.9	51%	0.513	30%	0.296	S	S	.	.	S	Bend	trans	20.1	68.5	163	-61.6	9.2	0	0	0	116.6	Y488 E490 T516	Y488-N518 PolarHBondContact OH-OD1 2.72Å; E490-N518 PolarHBondContact OE1-ND2 3.26Å; T516-N518 PolarHBondContact O-N 3.49Å
519	R	64.9	Low	72.5	Confident	112 Å²	112	62.1 Å²	62.1	42%	0.423	28%	0.281	S	S	.	.			trans	-131.3	42.6	171.4	-69.2	-177.6	-167.3	-155.6	15.3	113.3	K517 C633 Y635 R636	K517-R519 WeakPolarHBondContact O-CG 3.24Å; K517-R519 PolarHBondContact O-N 3.27Å; K517-R519 VanDerWaalsContact O-N 3.09Å; R519-C633 PolarHBondContact NH1-SG 3.18Å; R519-Y635 VanDerWaalsContact CD-CB 3.46Å; R519-R636 HydrophobicContact CB-CG 4.43Å
520	R	73.6	Confident	73.7	Confident	43 Å²	43	62.9 Å²	62.9	16%	0.162	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-54.4	140.5	160.7	-76.6	-165.5	-173.3	-165.7	8.6	108.5	Y394 D484 S486 P487 Y488	Y394-R520 HydrophobicContact CD1-CB 3.49Å; Y394-R520 VanDerWaalsContact CD1-CB 3.49Å; Y394-R520 HydrophobicContact CE1-CB 3.85Å; Y394-R520 HydrophobicContact CG-CB 4.13Å; D484-R520 IonicContact OD2-CZ 3.59Å; D484-R520 IonicContact OD2-NH1 2.72Å; D484-R520 PolarHBondContact OD2-NH1 3.27Å; S486-R520 PolarHBondContact O-NH1 2.96Å; S486-R520 PolarHBondContact OG-NH1 3.46Å; P487-R520 PolarHBondContact O-NH2 3.42Å; Y488-R520 HydrophobicContact CE2-CG 4.08Å
521	P	83	Confident	74.8	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.019	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-67.7	135.8	175.7	30.4	-34.7	0	0	0	109	V395 F525 L640	V395-P521 HydrophobicContact CG2-CB 3.97Å; V395-P521 HydrophobicContact CG2-CG 4.01Å; V395-P521 WeakPolarHBondContact CG2-O 3.4Å; V395-P521 PolarHBondContact N-O 2.95Å; V395-P521 WeakPolarHBondContact O-CG 3.15Å; P521-F525 HydrophobicContact CB-CD1 3.73Å; P521-F525 HydrophobicContact CB-CE1 4.21Å; P521-L640 HydrophobicContact CB-CB 4.49Å; P521-L640 HydrophobicContact CG-CB 4.1Å; P521-L640 HydrophobicContact CG-CD1 4.09Å
522	D	86.2	Confident	76.2	Confident	26 Å²	26	66.1 Å²	66.1	14%	0.139	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-97.4	166.1	172.9	54.8	30.1	0	0	0	110.3	K524 F525 S526 R636	D522-K524 PolarHBondContact O-N 2.93Å; D522-K524 PolarHBondContact OD1-N 3.38Å; D522-F525 PolarHBondContact O-N 2.96Å; D522-F525 WeakPolarHBondContact OD1-CB 3.43Å; D522-F525 PolarHBondContact OD1-N 3.41Å; D522-S526 PolarHBondContact O-N 3.32Å; D522-S526 VanDerWaalsContact O-N 3.09Å; D522-R636 IonicContact OD1-CZ 3.37Å; D522-R636 IonicContact OD1-NH1 3.38Å; D522-R636 PolarHBondContact OD1-NH1 2.94Å; D522-R636 IonicContact OD2-CZ 3.46Å; D522-R636 IonicContact OD2-NH1 2.74Å; D522-R636 PolarHBondContact OD2-NH1 3.37Å; D522-R636 IonicContact OD2-NH2 2.7Å; D522-R636 PolarHBondContact OD2-NH2 3.33Å
523	R	86.2	Confident	77.7	Confident	74 Å²	74	60 Å²	60	28%	0.279	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-28.7	177.7	-168.8	170.4	-177	156.9	-1.9	113.2	S198 P393 V395 E483 S526 N527	S198-R523 PolarHBondContact O-NH2 3.45Å; P393-R523 HydrophobicContact CG-CB 4.25Å; P393-R523 PolarHBondContact O-N 3.2Å; V395-R523 HydrophobicContact CG1-CB 4.18Å; E483-R523 IonicContact OE1-NH1 2.83Å; E483-R523 PolarHBondContact OE1-NH1 3Å; R523-S526 WeakPolarHBondContact CA-OG 3.48Å; R523-S526 PolarHBondContact O-OG 2.95Å; R523-N527 PolarHBondContact O-N 3.46Å; R523-N527 VanDerWaalsContact O-N 3.11Å; R523-N527 PolarHBondContact O-ND2 3.19Å; R523-N527 PolarHBondContact O-OD1 3.47Å
524	K	88.5	Confident	79	Confident	127 Å²	127	54.7 Å²	54.7	55%	0.552	26%	0.261	S	S	*	.	H	α-helix	trans	-63.9	-52.5	175.7	179.9	177.4	172.6	178.2	0	110.6	D522 S526 N527 E528	D522-K524 PolarHBondContact O-N 2.93Å; D522-K524 PolarHBondContact OD1-N 3.38Å; K524-S526 VanDerWaalsContact C-N 3.35Å; K524-S526 PolarHBondContact O-N 3.45Å; K524-N527 WeakPolarHBondContact O-CB 3.24Å; K524-N527 PolarHBondContact O-N 3Å; K524-N527 VanDerWaalsContact O-N 3.09Å; K524-E528 WeakPolarHBondContact CE-OE1 3.27Å; K524-E528 WeakPolarHBondContact CG-OE1 3.34Å; K524-E528 WeakPolarHBondContact O-CG 3.43Å; K524-E528 PolarHBondContact O-N 2.86Å
525	F	89.7	Confident	80.7	Confident	9 Å²	9	55.1 Å²	55.1	4%	0.039	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-39.2	176.8	172.7	-98.5	0	0	0	112.8	P521 D522 N527 E528 L529 R636 I637 L640	P521-F525 HydrophobicContact CB-CD1 3.73Å; P521-F525 HydrophobicContact CB-CE1 4.21Å; D522-F525 PolarHBondContact O-N 2.96Å; D522-F525 WeakPolarHBondContact OD1-CB 3.43Å; D522-F525 PolarHBondContact OD1-N 3.41Å; F525-N527 VanDerWaalsContact C-N 3.28Å; F525-N527 PolarHBondContact O-N 3.17Å; F525-E528 PolarHBondContact O-N 3.36Å; F525-L529 HydrophobicContact CE1-CD2 4.38Å; F525-L529 VanDerWaalsContact O-CB 3.24Å; F525-L529 WeakPolarHBondContact O-CB 3.47Å; F525-L529 PolarHBondContact O-N 2.94Å; F525-R636 HydrophobicContact CD1-CB 3.84Å; F525-R636 HydrophobicContact CD2-CB 4.07Å; F525-R636 HydrophobicContact CE1-CB 3.56Å; F525-R636 HydrophobicContact CE2-CB 3.79Å; F525-R636 HydrophobicContact CG-CB 4.08Å; F525-R636 HydrophobicContact CG-CG 4.5Å; F525-R636 HydrophobicContact CZ-CB 3.52Å; F525-I637 HydrophobicContact CZ-CD1 3.78Å; F525-I637 HydrophobicContact CZ-CG1 3.97Å; F525-L640 HydrophobicContact CE1-CD2 4.39Å
526	S	88.9	Confident	82.5	Confident	4 Å²	4	51 Å²	51	3%	0.028	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-34.9	174.8	55.6	0	0	0	0	112.5	D522 R523 K524 L530	D522-S526 PolarHBondContact O-N 3.32Å; D522-S526 VanDerWaalsContact O-N 3.09Å; R523-S526 WeakPolarHBondContact CA-OG 3.48Å; R523-S526 PolarHBondContact O-OG 2.95Å; K524-S526 VanDerWaalsContact C-N 3.35Å; K524-S526 PolarHBondContact O-N 3.45Å; S526-L530 WeakPolarHBondContact O-CB 3.38Å; S526-L530 WeakPolarHBondContact O-CD1 3.07Å; S526-L530 WeakPolarHBondContact O-CG 3.5Å; S526-L530 PolarHBondContact O-N 3.26Å
527	N	88.9	Confident	84.1	Confident	89 Å²	89	53.9 Å²	53.9	48%	0.476	25%	0.247	S	C	.	.	H	α-helix	trans	-69.9	-45.1	175.8	-66.4	-8	0	0	0	111.2	R523 K524 F525 L529 L530 Q531	R523-N527 PolarHBondContact O-N 3.46Å; R523-N527 VanDerWaalsContact O-N 3.11Å; R523-N527 PolarHBondContact O-ND2 3.19Å; R523-N527 PolarHBondContact O-OD1 3.47Å; K524-N527 WeakPolarHBondContact O-CB 3.24Å; K524-N527 PolarHBondContact O-N 3Å; K524-N527 VanDerWaalsContact O-N 3.09Å; F525-N527 VanDerWaalsContact C-N 3.28Å; F525-N527 PolarHBondContact O-N 3.17Å; N527-L529 VanDerWaalsContact C-N 3.31Å; N527-L529 PolarHBondContact O-N 2.92Å; N527-L530 PolarHBondContact O-N 2.91Å; N527-Q531 VanDerWaalsContact O-CB 3.3Å; N527-Q531 WeakPolarHBondContact O-CB 3.16Å; N527-Q531 PolarHBondContact O-N 3.01Å
528	E	89.5	Confident	85.7	Confident	87 Å²	87	51.7 Å²	51.7	41%	0.407	24%	0.239	S	C	.	.	H	α-helix	trans	-58.2	-42.6	174.5	-70.7	168.3	178.1	0	0	111.7	K524 F525 Q531 F532	K524-E528 WeakPolarHBondContact CE-OE1 3.27Å; K524-E528 WeakPolarHBondContact CG-OE1 3.34Å; K524-E528 WeakPolarHBondContact O-CG 3.43Å; K524-E528 PolarHBondContact O-N 2.86Å; F525-E528 PolarHBondContact O-N 3.36Å; E528-Q531 PolarHBondContact O-N 3.21Å; E528-F532 PolarHBondContact O-N 3.48Å
529	L	91.1	Very high	87.3	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-65.7	-45.5	175.9	175.7	66.3	0	0	0	112.1	F525 N527 Q531 F532 L533 M632 I637 L640 F641	F525-L529 HydrophobicContact CE1-CD2 4.38Å; F525-L529 VanDerWaalsContact O-CB 3.24Å; F525-L529 WeakPolarHBondContact O-CB 3.47Å; F525-L529 PolarHBondContact O-N 2.94Å; N527-L529 VanDerWaalsContact C-N 3.31Å; N527-L529 PolarHBondContact O-N 2.92Å; L529-Q531 VanDerWaalsContact C-N 3.29Å; L529-Q531 PolarHBondContact O-N 3.33Å; L529-F532 HydrophobicContact CD1-CD1 4.38Å; L529-F532 WeakPolarHBondContact O-CB 3.32Å; L529-F532 PolarHBondContact O-N 3.09Å; L529-L533 HydrophobicContact CG-CD1 4.46Å; L529-L533 VanDerWaalsContact O-CG 3.29Å; L529-L533 WeakPolarHBondContact O-CG 3.18Å; L529-L533 PolarHBondContact O-N 2.58Å; L529-M632 HydrophobicContact CD1-CE 3.68Å; L529-M632 HydrophobicContact CD1-SD 4.31Å; L529-I637 HydrophobicContact CD1-CD1 4.11Å; L529-L640 HydrophobicContact CD2-CD2 3.83Å; L529-F641 HydrophobicContact CD2-CE2 3.55Å; L529-F641 HydrophobicContact CD2-CZ 3.8Å
530	L	90.1	Very high	88.2	Confident	68 Å²	68	43.2 Å²	43.2	36%	0.356	21%	0.209	S	C	.	.	H	α-helix	trans	-64.6	-35.3	177.6	-74.3	168.4	0	0	0	111.7	V479 S526 N527 L533 S534	V479-L530 HydrophobicContact CB-CD2 4.2Å; S526-L530 WeakPolarHBondContact O-CB 3.38Å; S526-L530 WeakPolarHBondContact O-CD1 3.07Å; S526-L530 WeakPolarHBondContact O-CG 3.5Å; S526-L530 PolarHBondContact O-N 3.26Å; N527-L530 PolarHBondContact O-N 2.91Å; L530-L533 HydrophobicContact CD2-CD1 4.47Å; L530-L533 PolarHBondContact O-N 3.41Å; L530-S534 PolarHBondContact O-N 3.14Å; L530-S534 PolarHBondContact O-OG 3.32Å
531	Q	90.4	Very high	89	Confident	98 Å²	98	42.1 Å²	42.1	46%	0.458	21%	0.206	S	C	.	.	H	α-helix	trans	-67.2	-43.7	174.2	-174.6	62.5	19.7	0	0	111.7	N527 E528 L529 L533 S534 E535	N527-Q531 VanDerWaalsContact O-CB 3.3Å; N527-Q531 WeakPolarHBondContact O-CB 3.16Å; N527-Q531 PolarHBondContact O-N 3.01Å; E528-Q531 PolarHBondContact O-N 3.21Å; L529-Q531 VanDerWaalsContact C-N 3.29Å; L529-Q531 PolarHBondContact O-N 3.33Å; Q531-L533 VanDerWaalsContact C-N 3.3Å; Q531-L533 PolarHBondContact O-N 2.95Å; Q531-S534 WeakPolarHBondContact CA-OG 3.4Å; Q531-S534 PolarHBondContact O-N 3.5Å; Q531-S534 PolarHBondContact O-OG 3.37Å; Q531-E535 HydrophobicContact CG-CG 4.39Å; Q531-E535 WeakPolarHBondContact CG-OE1 3.32Å; Q531-E535 PolarHBondContact NE2-OE1 3.44Å; Q531-E535 WeakPolarHBondContact O-CB 3.46Å; Q531-E535 VanDerWaalsContact O-CG 3.28Å; Q531-E535 WeakPolarHBondContact O-CG 3.34Å; Q531-E535 PolarHBondContact O-N 2.85Å
532	F	92.4	Very high	89.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.9	-45.8	169.3	159.7	-95.5	0	0	0	112.1	A469 L470 V473 E528 L529 S534 E535 I536 G625 A628 L629 M632	A469-F532 HydrophobicContact CB-CE1 3.7Å; A469-F532 HydrophobicContact CB-CZ 4.04Å; L470-F532 HydrophobicContact CD2-CZ 4.28Å; V473-F532 HydrophobicContact CG2-CD1 4.32Å; V473-F532 HydrophobicContact CG2-CE1 3.55Å; V473-F532 HydrophobicContact CG2-CZ 3.86Å; E528-F532 PolarHBondContact O-N 3.48Å; L529-F532 HydrophobicContact CD1-CD1 4.38Å; L529-F532 WeakPolarHBondContact O-CB 3.32Å; L529-F532 PolarHBondContact O-N 3.09Å; F532-S534 VanDerWaalsContact C-N 3.28Å; F532-S534 PolarHBondContact O-N 2.59Å; F532-E535 PolarHBondContact O-N 3.19Å; F532-I536 HydrophobicContact CD2-CG1 3.83Å; F532-I536 HydrophobicContact CE2-CD1 4.32Å; F532-I536 HydrophobicContact CE2-CG1 3.44Å; F532-I536 VanDerWaalsContact CE2-CG1 3.44Å; F532-I536 HydrophobicContact CZ-CG1 4.06Å; F532-I536 PolarHBondContact O-N 3.16Å; F532-I536 VanDerWaalsContact O-N 3.11Å; F532-G625 VanDerWaalsContact CD2-O 3.24Å; F532-G625 WeakPolarHBondContact CD2-O 3.43Å; F532-A628 HydrophobicContact CB-CB 4Å; F532-A628 HydrophobicContact CD2-CB 4.46Å; F532-L629 HydrophobicContact CD2-CB 4.14Å; F532-L629 HydrophobicContact CE2-CB 3.73Å; F532-L629 HydrophobicContact CE2-CD1 3.82Å; F532-L629 HydrophobicContact CE2-CD2 4.24Å; F532-L629 HydrophobicContact CE2-CG 4.14Å; F532-L629 HydrophobicContact CZ-CD1 3.83Å; F532-M632 HydrophobicContact CB-CE 3.76Å; F532-M632 HydrophobicContact CD1-CE 3.23Å; F532-M632 HydrophobicContact CD2-CE 3.83Å; F532-M632 HydrophobicContact CE1-CE 3.71Å; F532-M632 HydrophobicContact CE2-CE 4.25Å; F532-M632 HydrophobicContact CG-CE 3.28Å; F532-M632 HydrophobicContact CZ-CE 4.19Å
533	L	91.8	Very high	89.4	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-30.4	-178.2	-70.2	177	0	0	0	112.3	M472 V473 V479 L529 L530 Q531 R537	M472-L533 HydrophobicContact CB-CD2 3.96Å; V473-L533 HydrophobicContact CG2-CD2 3.48Å; V473-L533 VanDerWaalsContact CG2-CD2 3.48Å; V479-L533 HydrophobicContact CB-CD1 4.47Å; V479-L533 HydrophobicContact CG2-CD1 3.93Å; L529-L533 HydrophobicContact CG-CD1 4.46Å; L529-L533 VanDerWaalsContact O-CG 3.29Å; L529-L533 WeakPolarHBondContact O-CG 3.18Å; L529-L533 PolarHBondContact O-N 2.58Å; L530-L533 HydrophobicContact CD2-CD1 4.47Å; L530-L533 PolarHBondContact O-N 3.41Å; Q531-L533 VanDerWaalsContact C-N 3.3Å; Q531-L533 PolarHBondContact O-N 2.95Å; L533-R537 VanDerWaalsContact O-CB 3.25Å; L533-R537 WeakPolarHBondContact O-CB 3.38Å
534	S	89.1	Confident	89.6	Confident	31 Å²	31	45.6 Å²	45.6	22%	0.217	24%	0.239	C	C	.	.	H	α-helix	trans	-79.4	-44.2	174.7	60.6	0	0	0	0	111.9	L530 Q531 F532 R537 Q538	L530-S534 PolarHBondContact O-N 3.14Å; L530-S534 PolarHBondContact O-OG 3.32Å; Q531-S534 WeakPolarHBondContact CA-OG 3.4Å; Q531-S534 PolarHBondContact O-N 3.5Å; Q531-S534 PolarHBondContact O-OG 3.37Å; F532-S534 VanDerWaalsContact C-N 3.28Å; F532-S534 PolarHBondContact O-N 2.59Å; S534-R537 WeakPolarHBondContact O-CB 3.11Å; S534-R537 PolarHBondContact O-N 2.92Å; S534-Q538 WeakPolarHBondContact O-CB 3.48Å; S534-Q538 VanDerWaalsContact O-CG 3.28Å; S534-Q538 WeakPolarHBondContact O-CG 3.36Å; S534-Q538 PolarHBondContact O-N 2.85Å
535	E	90.8	Very high	89.7	Confident	25 Å²	25	39.8 Å²	39.8	12%	0.117	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-50.7	-178.4	-76.7	173	176.5	0	0	112.9	Q531 F532 R537 Q538 A539 C624 G625	Q531-E535 HydrophobicContact CG-CG 4.39Å; Q531-E535 WeakPolarHBondContact CG-OE1 3.32Å; Q531-E535 PolarHBondContact NE2-OE1 3.44Å; Q531-E535 WeakPolarHBondContact O-CB 3.46Å; Q531-E535 VanDerWaalsContact O-CG 3.28Å; Q531-E535 WeakPolarHBondContact O-CG 3.34Å; Q531-E535 PolarHBondContact O-N 2.85Å; F532-E535 PolarHBondContact O-N 3.19Å; E535-R537 PolarHBondContact O-N 3.14Å; E535-Q538 PolarHBondContact O-N 3.32Å; E535-A539 PolarHBondContact O-N 3.22Å; E535-C624 HydrophobicContact CG-CB 4.46Å; E535-C624 VanDerWaalsContact OE2-CB 3.27Å; E535-C624 WeakPolarHBondContact OE2-CB 3.34Å; E535-G625 WeakPolarHBondContact OE2-CA 3.47Å; E535-G625 PolarHBondContact OE2-N 3.46Å
536	I	92	Very high	89.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.6	-27.2	177.7	-59.7	-62.5	0	0	0	111.6	V473 F532 L541 F546 L622 L626	V473-I536 HydrophobicContact CB-CG2 4.26Å; V473-I536 HydrophobicContact CG1-CB 3.98Å; V473-I536 HydrophobicContact CG1-CG2 3.79Å; V473-I536 HydrophobicContact CG2-CB 4.16Å; V473-I536 HydrophobicContact CG2-CG2 4.29Å; F532-I536 HydrophobicContact CD2-CG1 3.83Å; F532-I536 HydrophobicContact CE2-CD1 4.32Å; F532-I536 HydrophobicContact CE2-CG1 3.44Å; F532-I536 VanDerWaalsContact CE2-CG1 3.44Å; F532-I536 HydrophobicContact CZ-CG1 4.06Å; F532-I536 PolarHBondContact O-N 3.16Å; F532-I536 VanDerWaalsContact O-N 3.11Å; I536-L541 HydrophobicContact CG2-CD1 3.91Å; I536-F546 HydrophobicContact CG2-CE1 3.98Å; I536-F546 HydrophobicContact CG2-CZ 4.27Å; I536-L622 HydrophobicContact CD1-CD1 3.84Å; I536-L626 HydrophobicContact CD1-CD2 4.33Å; I536-L626 HydrophobicContact CD1-CG 4.36Å
537	R	89.7	Confident	90	Very high	96 Å²	96	41.9 Å²	41.9	36%	0.362	22%	0.222	S	C	.	.	H	α-helix	trans	-71.6	-40.1	173.9	-171.9	-176.5	-61	159.6	0.1	111.5	V473 L533 S534 E535 A539 G540	V473-R537 HydrophobicContact CG1-CB 4.09Å; L533-R537 VanDerWaalsContact O-CB 3.25Å; L533-R537 WeakPolarHBondContact O-CB 3.38Å; S534-R537 WeakPolarHBondContact O-CB 3.11Å; S534-R537 PolarHBondContact O-N 2.92Å; E535-R537 PolarHBondContact O-N 3.14Å; R537-A539 VanDerWaalsContact C-N 3.31Å; R537-G540 PolarHBondContact O-N 3.36Å
538	Q	88.4	Confident	90	Very high	89 Å²	89	37.7 Å²	37.7	42%	0.416	20%	0.199	S	C	.	.	H	α-helix	trans	-65.7	-32.3	174.8	-73.9	167.3	4.4	0	0	112.2	S534 E535 G540 C621	S534-Q538 WeakPolarHBondContact O-CB 3.48Å; S534-Q538 VanDerWaalsContact O-CG 3.28Å; S534-Q538 WeakPolarHBondContact O-CG 3.36Å; S534-Q538 PolarHBondContact O-N 2.85Å; E535-Q538 PolarHBondContact O-N 3.32Å; Q538-G540 PolarHBondContact O-N 3.02Å; Q538-G540 VanDerWaalsContact O-N 3.09Å; Q538-C621 HydrophobicContact CB-CB 4.24Å; Q538-C621 PolarHBondContact OE1-SG 2.89Å; Q538-C621 VanDerWaalsContact OE1-SG 3.36Å
539	A	87.5	Confident	90.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.4	173.5	0	0	0	0	0	114.6	E535 R537 L541 F617 L622	E535-A539 PolarHBondContact O-N 3.22Å; R537-A539 VanDerWaalsContact C-N 3.31Å; A539-L541 HydrophobicContact CB-CD2 4.42Å; A539-L541 HydrophobicContact CB-CG 4.35Å; A539-L541 PolarHBondContact O-N 3.39Å; A539-F617 WeakPolarHBondContact O-CD2 3.26Å; A539-L622 HydrophobicContact CB-CB 3.83Å; A539-L622 HydrophobicContact CB-CD1 4.22Å
540	G	85.5	Confident	90.3	Very high	30 Å²	30	34.8 Å²	34.8	31%	0.309	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	46.2	171.5	0	0	0	0	0	113.5	R537 Q538 R575	R537-G540 PolarHBondContact O-N 3.36Å; Q538-G540 PolarHBondContact O-N 3.02Å; Q538-G540 VanDerWaalsContact O-N 3.09Å; G540-R575 PolarHBondContact O-NH2 3.31Å
541	L	89.3	Confident	90.3	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.105	17%	0.169	C	C	.	.			trans	-72.9	137	-179	-60.3	-176.3	0	0	0	111.8	I536 A539 E545 F546 L549 I571 L622	I536-L541 HydrophobicContact CG2-CD1 3.91Å; A539-L541 HydrophobicContact CB-CD2 4.42Å; A539-L541 HydrophobicContact CB-CG 4.35Å; A539-L541 PolarHBondContact O-N 3.39Å; L541-E545 HydrophobicContact CB-CB 4.25Å; L541-E545 HydrophobicContact CD2-CB 4.37Å; L541-F546 HydrophobicContact CB-CD2 3.99Å; L541-F546 HydrophobicContact CB-CE1 4.47Å; L541-F546 HydrophobicContact CB-CE2 3.65Å; L541-F546 HydrophobicContact CB-CZ 3.91Å; L541-F546 HydrophobicContact CD1-CD1 4.42Å; L541-F546 HydrophobicContact CD1-CE1 4.15Å; L541-F546 HydrophobicContact CD1-CZ 4.31Å; L541-F546 WeakPolarHBondContact O-CE2 3.37Å; L541-L549 HydrophobicContact CD1-CD2 4.12Å; L541-I571 HydrophobicContact CD2-CG2 4.1Å; L541-L622 HydrophobicContact CD1-CD1 4.02Å; L541-L622 HydrophobicContact CD2-CD1 4.17Å; L541-L622 HydrophobicContact CD2-CD2 4.26Å; L541-L622 HydrophobicContact CG-CD1 4.48Å
542	S	89.3	Confident	90.3	Very high	53 Å²	53	27.2 Å²	27.2	37%	0.371	15%	0.147	S	C	.	.			trans	-77.6	162.2	171.2	64.3	0	0	0	0	112.1	Q544 E545 F546	S542-Q544 PolarHBondContact O-N 3.07Å; S542-E545 WeakPolarHBondContact CB-OE2 3.46Å; S542-E545 PolarHBondContact N-OE2 3.07Å; S542-E545 WeakPolarHBondContact O-CA 3.35Å; S542-E545 WeakPolarHBondContact O-CB 3.41Å; S542-E545 PolarHBondContact O-N 2.89Å; S542-E545 VanDerWaalsContact OG-CG 3.24Å; S542-E545 WeakPolarHBondContact OG-CG 3.31Å; S542-E545 PolarHBondContact OG-N 3.35Å; S542-E545 PolarHBondContact OG-OE2 2.99Å; S542-F546 WeakPolarHBondContact O-CD2 3.44Å; S542-F546 PolarHBondContact O-N 3.17Å
543	A	89	Confident	90.3	Very high	52 Å²	52	27.3 Å²	27.3	43%	0.43	15%	0.147	S	C	.	.	H	α-helix	trans	-58	-34	177.4	0	0	0	0	0	113.2	E545 Y547	A543-E545 VanDerWaalsContact C-N 3.32Å; A543-Y547 WeakPolarHBondContact O-CB 3.31Å; A543-Y547 PolarHBondContact O-N 3.01Å
544	Q	89.1	Confident	90.2	Very high	70 Å²	70	27 Å²	27	33%	0.327	15%	0.146	S	C	.	.	H	α-helix	trans	-67.7	-34.1	174.8	-176.4	57.9	36.2	0	0	111.9	S542 Y547 L548	S542-Q544 PolarHBondContact O-N 3.07Å; Q544-Y547 WeakPolarHBondContact O-CB 3.39Å; Q544-Y547 PolarHBondContact O-N 3.35Å; Q544-L548 WeakPolarHBondContact O-CG 3.25Å; Q544-L548 PolarHBondContact O-N 3.48Å
545	E	91.2	Very high	90.1	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.023	14%	0.141	C	C	.	.	H	α-helix	trans	-74.8	-39.3	178.2	-73.3	168.4	148.6	0	0	111.9	L541 S542 A543 Y547 L548 L549 I571 R575	L541-E545 HydrophobicContact CB-CB 4.25Å; L541-E545 HydrophobicContact CD2-CB 4.37Å; S542-E545 WeakPolarHBondContact CB-OE2 3.46Å; S542-E545 PolarHBondContact N-OE2 3.07Å; S542-E545 WeakPolarHBondContact O-CA 3.35Å; S542-E545 WeakPolarHBondContact O-CB 3.41Å; S542-E545 PolarHBondContact O-N 2.89Å; S542-E545 VanDerWaalsContact OG-CG 3.24Å; S542-E545 WeakPolarHBondContact OG-CG 3.31Å; S542-E545 PolarHBondContact OG-N 3.35Å; S542-E545 PolarHBondContact OG-OE2 2.99Å; A543-E545 VanDerWaalsContact C-N 3.32Å; E545-Y547 VanDerWaalsContact C-N 3.27Å; E545-Y547 PolarHBondContact O-N 2.89Å; E545-L548 PolarHBondContact O-N 2.99Å; E545-L549 VanDerWaalsContact O-CB 3.29Å; E545-L549 WeakPolarHBondContact O-CB 3.33Å; E545-L549 PolarHBondContact O-N 3.03Å; E545-I571 HydrophobicContact CB-CD1 3.62Å; E545-I571 HydrophobicContact CG-CD1 3.86Å; E545-R575 WeakPolarHBondContact OE1-CG 3.49Å; E545-R575 IonicContact OE1-CZ 3.58Å; E545-R575 IonicContact OE1-NE 2.74Å; E545-R575 PolarHBondContact OE1-NE 3.09Å; E545-R575 IonicContact OE1-NH2 3.5Å; E545-R575 PolarHBondContact OE1-NH2 3.46Å; E545-R575 IonicContact OE2-CZ 3.6Å; E545-R575 IonicContact OE2-NE 2.81Å; E545-R575 IonicContact OE2-NH2 3.57Å; E545-R575 PolarHBondContact OE2-NH2 3.35Å
546	F	92.9	Very high	89.9	Confident	12 Å²	12	25.4 Å²	25.4	5%	0.053	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-38.8	167.1	-77.7	-70.8	0	0	0	111.8	V473 E474 I536 L541 S542 L549 R550	V473-F546 HydrophobicContact CB-CE1 4.26Å; V473-F546 HydrophobicContact CB-CZ 4.39Å; V473-F546 HydrophobicContact CG1-CE1 4.39Å; V473-F546 HydrophobicContact CG1-CZ 4.11Å; E474-F546 HydrophobicContact CB-CD1 4.09Å; E474-F546 HydrophobicContact CB-CD2 4.04Å; E474-F546 HydrophobicContact CB-CE1 4.08Å; E474-F546 HydrophobicContact CB-CE2 4.02Å; E474-F546 HydrophobicContact CB-CG 4.08Å; E474-F546 HydrophobicContact CB-CZ 4.05Å; E474-F546 HydrophobicContact CG-CD2 3.85Å; E474-F546 HydrophobicContact CG-CE2 4.16Å; E474-F546 HydrophobicContact CG-CG 4.11Å; E474-F546 WeakPolarHBondContact OE1-CB 3.27Å; I536-F546 HydrophobicContact CG2-CE1 3.98Å; I536-F546 HydrophobicContact CG2-CZ 4.27Å; L541-F546 HydrophobicContact CB-CD2 3.99Å; L541-F546 HydrophobicContact CB-CE1 4.47Å; L541-F546 HydrophobicContact CB-CE2 3.65Å; L541-F546 HydrophobicContact CB-CZ 3.91Å; L541-F546 HydrophobicContact CD1-CD1 4.42Å; L541-F546 HydrophobicContact CD1-CE1 4.15Å; L541-F546 HydrophobicContact CD1-CZ 4.31Å; L541-F546 WeakPolarHBondContact O-CE2 3.37Å; S542-F546 WeakPolarHBondContact O-CD2 3.44Å; S542-F546 PolarHBondContact O-N 3.17Å; F546-L549 PolarHBondContact O-N 2.97Å; F546-R550 VanDerWaalsContact O-CG 3.24Å; F546-R550 WeakPolarHBondContact O-CG 3.34Å; F546-R550 PolarHBondContact O-N 3.44Å
547	Y	91	Very high	89.6	Confident	46 Å²	46	26 Å²	26	18%	0.18	14%	0.139	C	C	.	.	H	α-helix	trans	-65.7	-40.3	175.5	-178.4	-93	0	0	0	113.3	F2 L130 F419 A543 Q544 E545 H551	F2-Y547 HydrophobicContact CD2-CE1 4.29Å; F2-Y547 HydrophobicContact CE2-CE1 4.31Å; L130-Y547 WeakPolarHBondContact CD1-OH 3.48Å; F419-Y547 HydrophobicContact CE2-CE2 4.18Å; A543-Y547 WeakPolarHBondContact O-CB 3.31Å; A543-Y547 PolarHBondContact O-N 3.01Å; Q544-Y547 WeakPolarHBondContact O-CB 3.39Å; Q544-Y547 PolarHBondContact O-N 3.35Å; E545-Y547 VanDerWaalsContact C-N 3.27Å; E545-Y547 PolarHBondContact O-N 2.89Å; Y547-H551 AromaticContact CE1-CE1 3.58Å; Y547-H551 AromaticContact CE1-ND1 3.9Å; Y547-H551 AromaticContact CE2-CE1 3.85Å; Y547-H551 AromaticContact CZ-CE1 3.4Å; Y547-H551 VanDerWaalsContact CZ-CE1 3.4Å; Y547-H551 PolarHBondContact O-ND1 3.41Å
548	L	90.6	Very high	89.2	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-47.9	172.3	-70.8	172.4	0	0	0	111.2	F2 Q544 E545 R550 H551 V552 V570 S574	F2-L548 HydrophobicContact CD2-CD2 3.75Å; F2-L548 HydrophobicContact CE2-CD2 4.01Å; Q544-L548 WeakPolarHBondContact O-CG 3.25Å; Q544-L548 PolarHBondContact O-N 3.48Å; E545-L548 PolarHBondContact O-N 2.99Å; L548-R550 VanDerWaalsContact C-N 3.29Å; L548-R550 PolarHBondContact O-N 3.35Å; L548-H551 WeakPolarHBondContact O-CA 3.3Å; L548-H551 WeakPolarHBondContact O-CB 3.41Å; L548-H551 PolarHBondContact O-N 2.86Å; L548-V552 PolarHBondContact O-N 2.93Å; L548-V570 HydrophobicContact CB-CG1 3.8Å; L548-V570 HydrophobicContact CD1-CG1 4.12Å; L548-V570 HydrophobicContact CD2-CG1 4.42Å; L548-V570 HydrophobicContact CG-CG1 4.33Å; L548-S574 WeakPolarHBondContact CD1-OG 3.43Å
549	L	92.5	Very high	89	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.4	-33.6	-177.6	-175.5	59.1	0	0	0	112.6	L470 L541 E545 F546 H551 V552 V553 L626	L470-L549 HydrophobicContact CD1-CD2 4.16Å; L470-L549 HydrophobicContact CD1-CG 3.96Å; L470-L549 HydrophobicContact CD2-CD2 3.56Å; L470-L549 HydrophobicContact CD2-CG 4.28Å; L541-L549 HydrophobicContact CD1-CD2 4.12Å; E545-L549 VanDerWaalsContact O-CB 3.29Å; E545-L549 WeakPolarHBondContact O-CB 3.33Å; E545-L549 PolarHBondContact O-N 3.03Å; F546-L549 PolarHBondContact O-N 2.97Å; L549-H551 VanDerWaalsContact C-N 3.29Å; L549-H551 PolarHBondContact O-N 3.02Å; L549-V552 HydrophobicContact CD1-CB 4.36Å; L549-V552 PolarHBondContact O-N 3.34Å; L549-V553 WeakPolarHBondContact O-CG2 3.34Å; L549-V553 PolarHBondContact O-N 3.39Å; L549-L626 HydrophobicContact CD1-CD1 4.47Å; L549-L626 HydrophobicContact CD1-CD2 3.63Å; L549-L626 HydrophobicContact CD2-CD2 3.84Å; L549-L626 HydrophobicContact CG-CD2 4.3Å
550	R	93.6	Very high	88.8	Confident	30 Å²	30	27.1 Å²	27.1	11%	0.113	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-37	170	-75	171.4	175.6	116	-2.1	112.8	F419 L467 L470 S471 E474 F546 L548 L554	F419-R550 HydrophobicContact CE1-CB 3.76Å; F419-R550 HydrophobicContact CE2-CB 4.44Å; F419-R550 HydrophobicContact CZ-CB 3.61Å; L467-R550 HydrophobicContact CD2-CB 3.95Å; L467-R550 HydrophobicContact CD2-CG 3.89Å; L470-R550 HydrophobicContact CD1-CG 4.42Å; S471-R550 PolarHBondContact OG-NH2 3.22Å; S471-R550 VanDerWaalsContact OG-NH2 3.08Å; E474-R550 VanDerWaalsContact CD-NH2 3.27Å; E474-R550 IonicContact OE1-CZ 3.67Å; E474-R550 IonicContact OE1-NH1 3.69Å; E474-R550 PolarHBondContact OE1-NH1 2.96Å; E474-R550 IonicContact OE1-NH2 2.69Å; E474-R550 PolarHBondContact OE1-NH2 2.83Å; E474-R550 IonicContact OE2-CZ 3.93Å; E474-R550 IonicContact OE2-NH1 2.8Å; E474-R550 IonicContact OE2-NH2 3.67Å; E474-R550 PolarHBondContact OE2-NH2 2.98Å; F546-R550 VanDerWaalsContact O-CG 3.24Å; F546-R550 WeakPolarHBondContact O-CG 3.34Å; F546-R550 PolarHBondContact O-N 3.44Å; L548-R550 VanDerWaalsContact C-N 3.29Å; L548-R550 PolarHBondContact O-N 3.35Å; R550-L554 PolarHBondContact O-N 3.11Å
551	H	89.8	Confident	88.8	Confident	6 Å²	6	30.5 Å²	30.5	3%	0.028	17%	0.166	C	C	.	.	H	α-helix	trans	-74.9	-36	175.1	-72.9	92.2	0	0	0	112.7	F2 I6 F419 S423 Y547 L548 L549 V553 L554 L555	F2-H551 HydrophobicContact CE2-CB 4Å; F2-H551 AromaticContact CE2-CG 3.67Å; F2-H551 AromaticContact CE2-ND1 3.64Å; F2-H551 HydrophobicContact CZ-CB 3.81Å; F2-H551 AromaticContact CZ-CD2 3.5Å; F2-H551 AromaticContact CZ-CG 3.41Å; F2-H551 VanDerWaalsContact CZ-CG 3.41Å; F2-H551 AromaticContact CZ-ND1 3.77Å; F2-H551 AromaticContact CZ-NE2 3.91Å; I6-H551 HydrophobicContact CD1-CB 4.37Å; F419-H551 AromaticContact CE2-CE1 3.41Å; F419-H551 VanDerWaalsContact CE2-CE1 3.41Å; F419-H551 WeakPolarHBondContact CE2-CE1 3.42Å; F419-H551 AromaticContact CE2-NE2 3.75Å; F419-H551 AromaticContact CZ-CE1 3.5Å; F419-H551 AromaticContact CZ-ND1 3.75Å; F419-H551 AromaticContact CZ-NE2 3.7Å; S423-H551 PolarHBondContact OG-NE2 2.94Å; S423-H551 VanDerWaalsContact OG-NE2 3.1Å; Y547-H551 AromaticContact CE1-CE1 3.58Å; Y547-H551 AromaticContact CE1-ND1 3.9Å; Y547-H551 AromaticContact CE2-CE1 3.85Å; Y547-H551 AromaticContact CZ-CE1 3.4Å; Y547-H551 VanDerWaalsContact CZ-CE1 3.4Å; Y547-H551 PolarHBondContact O-ND1 3.41Å; L548-H551 WeakPolarHBondContact O-CA 3.3Å; L548-H551 WeakPolarHBondContact O-CB 3.41Å; L548-H551 PolarHBondContact O-N 2.86Å; L549-H551 VanDerWaalsContact C-N 3.29Å; L549-H551 PolarHBondContact O-N 3.02Å; H551-V553 VanDerWaalsContact C-N 3.28Å; H551-V553 PolarHBondContact O-N 3.43Å; H551-L554 WeakPolarHBondContact O-CB 3.19Å; H551-L554 PolarHBondContact O-N 3.26Å; H551-L555 WeakPolarHBondContact O-CG 3.16Å; H551-L555 PolarHBondContact O-N 3.39Å
552	V	90.5	Very high	88.8	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-56.2	-46.7	170	178.5	0	0	0	0	110	L548 L549 L554 L555 T556 L563 L566 V570	L548-V552 PolarHBondContact O-N 2.93Å; L549-V552 HydrophobicContact CD1-CB 4.36Å; L549-V552 PolarHBondContact O-N 3.34Å; V552-L554 PolarHBondContact O-N 3.45Å; V552-L555 PolarHBondContact O-N 2.91Å; V552-T556 HydrophobicContact CG1-CG2 4.04Å; V552-T556 WeakPolarHBondContact O-CG2 3.33Å; V552-T556 PolarHBondContact O-N 3Å; V552-T556 PolarHBondContact O-OG1 3.32Å; V552-T556 VanDerWaalsContact O-OG1 3.07Å; V552-L563 HydrophobicContact CG1-CD1 3.85Å; V552-L566 HydrophobicContact CG1-CB 4.12Å; V552-L566 HydrophobicContact CG1-CD2 4.11Å; V552-L566 HydrophobicContact CG1-CG 4.01Å; V552-V570 HydrophobicContact CG2-CB 3.99Å; V552-V570 HydrophobicContact CG2-CG1 4.13Å; V552-V570 HydrophobicContact CG2-CG2 3.74Å
553	V	92.3	Very high	88.9	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-58.3	-30	175.4	168.5	0	0	0	0	113.2	C463 K466 L467 L470 L549 H551 V557 L563 L629	C463-V553 HydrophobicContact CB-CG1 3.96Å; K466-V553 HydrophobicContact CB-CG1 3.88Å; K466-V553 HydrophobicContact CD-CG1 4.35Å; L467-V553 HydrophobicContact CD2-CB 3.98Å; L467-V553 HydrophobicContact CD2-CG1 3.68Å; L467-V553 HydrophobicContact CG-CG1 3.9Å; L470-V553 HydrophobicContact CD1-CG2 3.98Å; L549-V553 WeakPolarHBondContact O-CG2 3.34Å; L549-V553 PolarHBondContact O-N 3.39Å; H551-V553 VanDerWaalsContact C-N 3.28Å; H551-V553 PolarHBondContact O-N 3.43Å; V553-V557 WeakPolarHBondContact O-CG2 3.45Å; V553-L563 HydrophobicContact CG2-CD1 3.72Å; V553-L563 HydrophobicContact CG2-CD2 4.43Å; V553-L629 HydrophobicContact CG2-CD2 4.37Å
554	L	90.2	Very high	88.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-78.9	-29.9	174.1	-65.5	-177.6	0	0	0	113.8	F419 V420 V427 L459 L467 R550 H551 V552	F419-L554 HydrophobicContact CD1-CD1 4.39Å; F419-L554 HydrophobicContact CE1-CD1 3.59Å; F419-L554 HydrophobicContact CE1-CG 4.16Å; F419-L554 HydrophobicContact CZ-CD1 4.05Å; V420-L554 HydrophobicContact CG1-CD2 4.22Å; V420-L554 HydrophobicContact CG2-CD2 3.92Å; V427-L554 HydrophobicContact CG2-CB 3.94Å; V427-L554 HydrophobicContact CG2-CD1 4.13Å; L459-L554 HydrophobicContact CD2-CD2 4.06Å; L459-L554 HydrophobicContact CG-CD2 4.12Å; L467-L554 HydrophobicContact CD1-CD2 4.21Å; R550-L554 PolarHBondContact O-N 3.11Å; H551-L554 WeakPolarHBondContact O-CB 3.19Å; H551-L554 PolarHBondContact O-N 3.26Å; V552-L554 PolarHBondContact O-N 3.45Å
555	L	86.7	Confident	88.9	Confident	19 Å²	19	27.1 Å²	27.1	10%	0.099	14%	0.143	C	C	.	.	H	α-helix	trans	-80.2	-33.8	178.4	-68.6	168.6	0	0	0	112.1	I6 V427 L430 H551 V552 V557	I6-L555 HydrophobicContact CD1-CD1 4.11Å; I6-L555 HydrophobicContact CG2-CD1 3.81Å; V427-L555 HydrophobicContact CG1-CD2 4.34Å; L430-L555 HydrophobicContact CB-CD2 4.09Å; L430-L555 HydrophobicContact CD1-CD2 4.03Å; H551-L555 WeakPolarHBondContact O-CG 3.16Å; H551-L555 PolarHBondContact O-N 3.39Å; V552-L555 PolarHBondContact O-N 2.91Å; L555-V557 VanDerWaalsContact C-N 3.33Å; L555-V557 PolarHBondContact O-N 2.86Å
556	T	87.4	Confident	88.8	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.012	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	33	-179.4	69.1	0	0	0	0	112.6	V552 E559 T562 L566	V552-T556 HydrophobicContact CG1-CG2 4.04Å; V552-T556 WeakPolarHBondContact O-CG2 3.33Å; V552-T556 PolarHBondContact O-N 3Å; V552-T556 PolarHBondContact O-OG1 3.32Å; V552-T556 VanDerWaalsContact O-OG1 3.07Å; T556-E559 CarbonylContact O-C 3.5Å; T556-T562 VanDerWaalsContact CG2-OG1 3.3Å; T556-T562 WeakPolarHBondContact CG2-OG1 3.35Å; T556-L566 HydrophobicContact CG2-CB 4.35Å; T556-L566 HydrophobicContact CG2-CD2 3.72Å
557	V	85	Confident	88.6	Confident	13 Å²	13	26.7 Å²	26.7	8%	0.079	14%	0.142	C	C	.	.	S	Bend	trans	-70.7	-50.5	179.4	166.2	0	0	0	0	111.4	L459 Q462 C463 V553 L555 E559	L459-V557 HydrophobicContact CD1-CB 4.03Å; L459-V557 HydrophobicContact CD1-CG1 4.17Å; L459-V557 HydrophobicContact CD1-CG2 3.67Å; Q462-V557 HydrophobicContact CB-CG1 3.49Å; Q462-V557 VanDerWaalsContact CB-CG1 3.49Å; Q462-V557 VanDerWaalsContact CD-CG1 3.44Å; Q462-V557 HydrophobicContact CG-CG1 4.1Å; Q462-V557 VanDerWaalsContact OE1-CG1 3.29Å; C463-V557 HydrophobicContact CB-CG2 3.9Å; V553-V557 WeakPolarHBondContact O-CG2 3.45Å; L555-V557 VanDerWaalsContact C-N 3.33Å; L555-V557 PolarHBondContact O-N 2.86Å; V557-E559 VanDerWaalsContact C-N 3.32Å
558	D	81.4	Confident	88.5	Confident	69 Å²	69	25.8 Å²	25.8	37%	0.369	14%	0.14	S	C	.	.	S	Bend	trans	-70.4	-31.8	179.5	-41.3	-54.5	0	0	0	112.4	K431 L434 P560	K431-D558 VanDerWaalsContact CE-OD2 3.28Å; K431-D558 WeakPolarHBondContact CE-OD2 3.23Å; K431-D558 IonicContact NZ-OD2 2.7Å; K431-D558 PolarHBondContact NZ-OD2 3.24Å; L434-D558 VanDerWaalsContact CD2-CG 3.45Å; L434-D558 WeakPolarHBondContact CD2-OD1 3.42Å; L434-D558 WeakPolarHBondContact CD2-OD2 3.32Å; L434-D558 VanDerWaalsContact CG-OD2 3.27Å; L434-D558 WeakPolarHBondContact CG-OD2 3.27Å; D558-P560 VanDerWaalsContact C-CD 3.42Å; D558-P560 WeakPolarHBondContact O-CD 3.46Å
559	E	83.6	Confident	88.4	Confident	97 Å²	97	26.6 Å²	26.6	45%	0.453	14%	0.144	S	C	.	.			trans	-119.5	70.8	-173.5	-69.8	155.7	-121.2	0	0	108.9	K431 T556 V557 D561 T562	K431-E559 IonicContact NZ-OE1 2.73Å; K431-E559 PolarHBondContact NZ-OE1 3.23Å; T556-E559 CarbonylContact O-C 3.5Å; V557-E559 VanDerWaalsContact C-N 3.32Å; E559-D561 PolarHBondContact O-N 3.24Å; E559-T562 HydrophobicContact CB-CG2 4.16Å; E559-T562 PolarHBondContact O-N 3.21Å; E559-T562 VanDerWaalsContact O-N 3.15Å; E559-T562 PolarHBondContact O-OG1 2.82Å
560	P	83.9	Confident	88.2	Confident	42 Å²	42	26.7 Å²	26.7	27%	0.273	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.5	-176.4	28.5	-37.6	0	0	0	112.9	D558 L563 R630	D558-P560 VanDerWaalsContact C-CD 3.42Å; D558-P560 WeakPolarHBondContact O-CD 3.46Å; P560-L563 VanDerWaalsContact O-CB 3.27Å; P560-L563 WeakPolarHBondContact O-CB 3.24Å; P560-L563 PolarHBondContact O-N 3.09Å; P560-R630 HydrophobicContact CB-CG 4.25Å; P560-R630 VanDerWaalsContact O-CD 3.23Å; P560-R630 WeakPolarHBondContact O-CD 3.49Å; P560-R630 VanDerWaalsContact O-CG 3.25Å; P560-R630 WeakPolarHBondContact O-CG 3.44Å
561	D	86	Confident	87.9	Confident	102 Å²	102	25.3 Å²	25.3	55%	0.545	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-25.3	-179.6	-67.5	4.7	0	0	0	112.8	E559 L563 P564 R630	E559-D561 PolarHBondContact O-N 3.24Å; D561-L563 VanDerWaalsContact C-N 3.35Å; D561-P564 WeakPolarHBondContact O-CD 3.49Å; D561-R630 WeakPolarHBondContact OD1-CD 3.47Å; D561-R630 IonicContact OD1-CZ 2.92Å; D561-R630 IonicContact OD1-NE 3.21Å; D561-R630 IonicContact OD1-NH1 2.89Å; D561-R630 PolarHBondContact OD1-NH1 2.86Å; D561-R630 IonicContact OD2-NH1 3.96Å; D561-R630 PolarHBondContact OD2-NH1 2.85Å
562	T	88.5	Confident	87.8	Confident	46 Å²	46	30.2 Å²	30.2	28%	0.282	16%	0.158	S	C	.	.	S	Bend	trans	-81.8	-13.8	175.3	63.7	0	0	0	0	112.9	T556 E559 T565 L566	T556-T562 VanDerWaalsContact CG2-OG1 3.3Å; T556-T562 WeakPolarHBondContact CG2-OG1 3.35Å; E559-T562 HydrophobicContact CB-CG2 4.16Å; E559-T562 PolarHBondContact O-N 3.21Å; E559-T562 VanDerWaalsContact O-N 3.15Å; E559-T562 PolarHBondContact O-OG1 2.82Å; T562-T565 PolarHBondContact O-N 2.93Å; T562-T565 VanDerWaalsContact O-N 3.16Å; T562-L566 WeakPolarHBondContact O-CB 3.5Å; T562-L566 PolarHBondContact O-N 3.4Å
563	L	90.9	Very high	87.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-52.4	-45.5	-178.1	174.9	61.3	0	0	0	114	K466 V552 V553 P560 D561 G567 L629	K466-L563 HydrophobicContact CD-CD2 4.11Å; V552-L563 HydrophobicContact CG1-CD1 3.85Å; V553-L563 HydrophobicContact CG2-CD1 3.72Å; V553-L563 HydrophobicContact CG2-CD2 4.43Å; P560-L563 VanDerWaalsContact O-CB 3.27Å; P560-L563 WeakPolarHBondContact O-CB 3.24Å; P560-L563 PolarHBondContact O-N 3.09Å; D561-L563 VanDerWaalsContact C-N 3.35Å; L563-G567 WeakPolarHBondContact O-CA 3.37Å; L563-G567 PolarHBondContact O-N 3.49Å; L563-L629 HydrophobicContact CD2-CB 4.5Å; L563-L629 HydrophobicContact CD2-CD2 4.27Å; L563-L629 HydrophobicContact CD2-CG 4.19Å
564	P	90.3	Very high	87.1	Confident	11 Å²	11	30.7 Å²	30.7	7%	0.071	16%	0.162	C	C	.	.	H	α-helix	trans	-66	-45.1	177.9	-18.8	33.8	0	0	0	112.1	D561 L568 L626 K627	D561-P564 WeakPolarHBondContact O-CD 3.49Å; P564-L568 WeakPolarHBondContact O-CB 3.28Å; P564-L568 WeakPolarHBondContact O-CD1 3.39Å; P564-L568 WeakPolarHBondContact O-CG 3.3Å; P564-L568 PolarHBondContact O-N 3.21Å; P564-L626 HydrophobicContact CB-CB 4.07Å; P564-K627 HydrophobicContact CB-CG 4.03Å; P564-K627 HydrophobicContact CG-CG 3.99Å
565	T	88.8	Confident	86.8	Confident	66 Å²	66	33.4 Å²	33.4	41%	0.405	17%	0.172	S	C	.	.	H	α-helix	trans	-66.8	-53.4	-177.6	-50.7	0	0	0	0	111.6	T562 G567 L568 N569	T562-T565 PolarHBondContact O-N 2.93Å; T562-T565 VanDerWaalsContact O-N 3.16Å; T565-G567 VanDerWaalsContact C-N 3.33Å; T565-G567 PolarHBondContact O-N 3.05Å; T565-L568 PolarHBondContact O-N 2.83Å; T565-N569 WeakPolarHBondContact O-CB 2.95Å; T565-N569 VanDerWaalsContact O-CG 3.31Å; T565-N569 PolarHBondContact O-N 3.41Å
566	L	88.7	Confident	86.4	Confident	9 Å²	9	36.1 Å²	36.1	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-65.9	-37.8	179.7	-173.3	62.2	0	0	0	111.3	A9 L10 V552 T556 T562 N569 V570	A9-L566 HydrophobicContact CB-CD1 4.05Å; L10-L566 HydrophobicContact CD2-CD1 4.18Å; L10-L566 HydrophobicContact CD2-CD2 4.35Å; V552-L566 HydrophobicContact CG1-CB 4.12Å; V552-L566 HydrophobicContact CG1-CD2 4.11Å; V552-L566 HydrophobicContact CG1-CG 4.01Å; T556-L566 HydrophobicContact CG2-CB 4.35Å; T556-L566 HydrophobicContact CG2-CD2 3.72Å; T562-L566 WeakPolarHBondContact O-CB 3.5Å; T562-L566 PolarHBondContact O-N 3.4Å; L566-N569 PolarHBondContact O-N 3.05Å; L566-V570 HydrophobicContact CD1-CG2 4.3Å; L566-V570 HydrophobicContact CG-CG2 4.41Å; L566-V570 WeakPolarHBondContact O-CB 3.46Å; L566-V570 WeakPolarHBondContact O-CG2 3.46Å; L566-V570 PolarHBondContact O-N 3.19Å
567	G	88.4	Confident	85.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-47.2	174.8	0	0	0	0	0	112.4	L563 T565 I571	L563-G567 WeakPolarHBondContact O-CA 3.37Å; L563-G567 PolarHBondContact O-N 3.49Å; T565-G567 VanDerWaalsContact C-N 3.33Å; T565-G567 PolarHBondContact O-N 3.05Å; G567-I571 VanDerWaalsContact O-CG1 3.31Å; G567-I571 WeakPolarHBondContact O-CG1 3.36Å; G567-I571 PolarHBondContact O-N 3.33Å; G567-I571 VanDerWaalsContact O-N 3.11Å
568	L	90.1	Very high	84.6	Confident	26 Å²	26	41.9 Å²	41.9	14%	0.136	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-44.7	174.8	-73.5	164.8	0	0	0	111.9	P564 T565 I571 R572 L619 L622 A623 L626	P564-L568 WeakPolarHBondContact O-CB 3.28Å; P564-L568 WeakPolarHBondContact O-CD1 3.39Å; P564-L568 WeakPolarHBondContact O-CG 3.3Å; P564-L568 PolarHBondContact O-N 3.21Å; T565-L568 PolarHBondContact O-N 2.83Å; L568-I571 PolarHBondContact O-N 3.4Å; L568-R572 VanDerWaalsContact O-CB 3.29Å; L568-R572 WeakPolarHBondContact O-CB 3.47Å; L568-R572 PolarHBondContact O-N 2.91Å; L568-L619 HydrophobicContact CD2-CD1 3.56Å; L568-L619 HydrophobicContact CD2-CG 4.2Å; L568-L622 HydrophobicContact CD2-CB 4.12Å; L568-L622 HydrophobicContact CD2-CD2 3.96Å; L568-L622 HydrophobicContact CD2-CG 3.83Å; L568-A623 HydrophobicContact CD1-CB 3.69Å; L568-A623 HydrophobicContact CD2-CB 3.97Å; L568-A623 HydrophobicContact CG-CB 4.38Å; L568-L626 HydrophobicContact CG-CD1 4.23Å
569	N	87.8	Confident	83.7	Confident	19 Å²	19	44.4 Å²	44.4	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-45.6	-178.7	-71.1	-3.3	0	0	0	111.9	A9 T565 L566 I571 R572 A573	A9-N569 HydrophobicContact CB-CB 4.38Å; T565-N569 WeakPolarHBondContact O-CB 2.95Å; T565-N569 VanDerWaalsContact O-CG 3.31Å; T565-N569 PolarHBondContact O-N 3.41Å; L566-N569 PolarHBondContact O-N 3.05Å; N569-I571 PolarHBondContact O-N 3.02Å; N569-R572 PolarHBondContact O-N 3.2Å; N569-R572 PolarHBondContact OD1-NH1 3.28Å; N569-A573 WeakPolarHBondContact O-CB 3.4Å; N569-A573 PolarHBondContact O-N 2.89Å
570	V	87.9	Confident	82.2	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-42	176.3	169.7	0	0	0	0	111.9	A9 L548 V552 L566 S574	A9-V570 HydrophobicContact CB-CB 4.23Å; A9-V570 HydrophobicContact CB-CG2 3.28Å; L548-V570 HydrophobicContact CB-CG1 3.8Å; L548-V570 HydrophobicContact CD1-CG1 4.12Å; L548-V570 HydrophobicContact CD2-CG1 4.42Å; L548-V570 HydrophobicContact CG-CG1 4.33Å; V552-V570 HydrophobicContact CG2-CB 3.99Å; V552-V570 HydrophobicContact CG2-CG1 4.13Å; V552-V570 HydrophobicContact CG2-CG2 3.74Å; L566-V570 HydrophobicContact CD1-CG2 4.3Å; L566-V570 HydrophobicContact CG-CG2 4.41Å; L566-V570 WeakPolarHBondContact O-CB 3.46Å; L566-V570 WeakPolarHBondContact O-CG2 3.46Å; L566-V570 PolarHBondContact O-N 3.19Å; V570-S574 WeakPolarHBondContact O-CB 3.48Å; V570-S574 PolarHBondContact O-N 3.09Å
571	I	88.5	Confident	80.6	Confident	1 Å²	1	47 Å²	47	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-69.9	-40.7	177.3	-62.4	-51.4	0	0	0	111.2	L541 E545 G567 L568 N569 S574 R575 F617 L622	L541-I571 HydrophobicContact CD2-CG2 4.1Å; E545-I571 HydrophobicContact CB-CD1 3.62Å; E545-I571 HydrophobicContact CG-CD1 3.86Å; G567-I571 VanDerWaalsContact O-CG1 3.31Å; G567-I571 WeakPolarHBondContact O-CG1 3.36Å; G567-I571 PolarHBondContact O-N 3.33Å; G567-I571 VanDerWaalsContact O-N 3.11Å; L568-I571 PolarHBondContact O-N 3.4Å; N569-I571 PolarHBondContact O-N 3.02Å; I571-S574 PolarHBondContact O-N 3.09Å; I571-R575 WeakPolarHBondContact O-CG 3.28Å; I571-R575 PolarHBondContact O-N 2.8Å; I571-F617 HydrophobicContact CG2-CZ 4.36Å; I571-L622 HydrophobicContact CB-CD2 3.96Å; I571-L622 HydrophobicContact CG1-CD2 4.15Å; I571-L622 HydrophobicContact CG2-CD2 3.75Å
572	R	86.9	Confident	78.9	Confident	109 Å²	109	49.3 Å²	49.3	41%	0.411	27%	0.267	S	S	.	.	H	α-helix	trans	-58.8	-53.9	175.7	-167.9	-173.2	-63.7	117	-2.1	110.8	L568 N569 S574 R575 C576	L568-R572 VanDerWaalsContact O-CB 3.29Å; L568-R572 WeakPolarHBondContact O-CB 3.47Å; L568-R572 PolarHBondContact O-N 2.91Å; N569-R572 PolarHBondContact O-N 3.2Å; N569-R572 PolarHBondContact OD1-NH1 3.28Å; R572-S574 PolarHBondContact O-N 2.89Å; R572-R575 PolarHBondContact O-N 3.15Å; R572-R575 VanDerWaalsContact O-N 3.11Å; R572-C576 PolarHBondContact O-N 2.96Å; R572-C576 PolarHBondContact O-SG 2.89Å
573	A	83.5	Confident	76.9	Confident	10 Å²	10	50.3 Å²	50.3	8%	0.083	28%	0.276	C	S	.	.	H	α-helix	trans	-56.9	-47.1	177	0	0	0	0	0	111.9	N569 R575 C576 M577	N569-A573 WeakPolarHBondContact O-CB 3.4Å; N569-A573 PolarHBondContact O-N 2.89Å; A573-R575 PolarHBondContact O-N 3.03Å; A573-C576 PolarHBondContact O-N 3.21Å; A573-M577 WeakPolarHBondContact O-CG 3.46Å; A573-M577 PolarHBondContact O-N 3.09Å
574	S	84.8	Confident	74.4	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.014	32%	0.316	C	S	.	.	H	α-helix	trans	-56.3	-34.1	176.7	-179.3	0	0	0	0	113.6	R5 L548 V570 I571 R572	R5-S574 PolarHBondContact NH1-OG 3.04Å; L548-S574 WeakPolarHBondContact CD1-OG 3.43Å; V570-S574 WeakPolarHBondContact O-CB 3.48Å; V570-S574 PolarHBondContact O-N 3.09Å; I571-S574 PolarHBondContact O-N 3.09Å; R572-S574 PolarHBondContact O-N 2.89Å
575	R	83.4	Confident	71.9	Confident	56 Å²	56	59.9 Å²	59.9	21%	0.211	34%	0.34	C	S	.	.	H	α-helix	trans	-81.3	-41.5	176.3	-69.6	-174.7	178.6	-149.1	-10.2	112.4	G540 E545 I571 R572 A573 M577 N578 N579	G540-R575 PolarHBondContact O-NH2 3.31Å; E545-R575 WeakPolarHBondContact OE1-CG 3.49Å; E545-R575 IonicContact OE1-CZ 3.58Å; E545-R575 IonicContact OE1-NE 2.74Å; E545-R575 PolarHBondContact OE1-NE 3.09Å; E545-R575 IonicContact OE1-NH2 3.5Å; E545-R575 PolarHBondContact OE1-NH2 3.46Å; E545-R575 IonicContact OE2-CZ 3.6Å; E545-R575 IonicContact OE2-NE 2.81Å; E545-R575 IonicContact OE2-NH2 3.57Å; E545-R575 PolarHBondContact OE2-NH2 3.35Å; I571-R575 WeakPolarHBondContact O-CG 3.28Å; I571-R575 PolarHBondContact O-N 2.8Å; R572-R575 PolarHBondContact O-N 3.15Å; R572-R575 VanDerWaalsContact O-N 3.11Å; A573-R575 PolarHBondContact O-N 3.03Å; R575-M577 VanDerWaalsContact C-N 3.35Å; R575-M577 PolarHBondContact O-N 3.34Å; R575-N578 PolarHBondContact O-N 2.83Å; R575-N578 VanDerWaalsContact O-N 3.13Å; R575-N579 PolarHBondContact O-N 3.5Å
576	C	79	Confident	69.2	Low	76 Å²	76	66.9 Å²	66.9	51%	0.514	37%	0.365	S	S	.	.	H	α-helix	trans	-55.8	-46.9	176.3	-69.1	0	0	0	0	111.9	R572 A573 N578 N579 S580	R572-C576 PolarHBondContact O-N 2.96Å; R572-C576 PolarHBondContact O-SG 2.89Å; A573-C576 PolarHBondContact O-N 3.21Å; C576-N578 VanDerWaalsContact C-N 3.32Å; C576-N578 PolarHBondContact O-N 3.46Å; C576-N579 PolarHBondContact O-N 2.98Å; C576-S580 PolarHBondContact O-N 3.3Å
577	M	68.7	Low	66.8	Low	58 Å²	58	71.8 Å²	71.8	29%	0.286	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-38.1	176.4	-64.4	-176.4	98.7	0	0	113.2	R5 A573 R575	R5-M577 HydrophobicContact CG-SD 3.6Å; R5-M577 PolarHBondContact NE-SD 3.27Å; R5-M577 VanDerWaalsContact NE-SD 3.4Å; A573-M577 WeakPolarHBondContact O-CG 3.46Å; A573-M577 PolarHBondContact O-N 3.09Å; R575-M577 VanDerWaalsContact C-N 3.35Å; R575-M577 PolarHBondContact O-N 3.34Å
578	N	66.3	Low	64.3	Low	79 Å²	79	79.3 Å²	79.3	42%	0.422	44%	0.436	S	S	.	.	H	α-helix	trans	-70.1	-33.7	-178.1	-76	-0.3	0	0	0	112	R5 R575 C576	R5-N578 PolarHBondContact NH2-OD1 3.28Å; R575-N578 PolarHBondContact O-N 2.83Å; R575-N578 VanDerWaalsContact O-N 3.13Å; C576-N578 VanDerWaalsContact C-N 3.32Å; C576-N578 PolarHBondContact O-N 3.46Å
579	N	60.7	Low	62	Low	121 Å²	121	84.3 Å²	84.3	65%	0.647	46%	0.458	S	S	*	.	H	α-helix	trans	-69.7	-39.8	176.5	-80.8	5.6	0	0	0	112.3	R575 C576 N581 N582	R575-N579 PolarHBondContact O-N 3.5Å; C576-N579 PolarHBondContact O-N 2.98Å; N579-N581 PolarHBondContact O-N 3.28Å; N579-N582 PolarHBondContact O-N 2.84Å; N579-N582 VanDerWaalsContact O-N 3.09Å
580	S	52.1	Low	59.6	Low	78 Å²	78	88.4 Å²	88.4	55%	0.545	49%	0.488	S	S	.	.	H	α-helix	trans	-61.1	-30.2	-178.8	-174.6	0	0	0	0	113.4	C576 N582 S583	C576-S580 PolarHBondContact O-N 3.3Å; S580-N582 VanDerWaalsContact C-N 3.32Å; S580-N582 PolarHBondContact O-N 2.78Å; S580-S583 PolarHBondContact O-N 3.45Å; S580-S583 PolarHBondContact O-OG 3.09Å; S580-S583 VanDerWaalsContact O-OG 3.05Å
581	N	52.1	Low	57.3	Low	117 Å²	117	94.2 Å²	94.2	63%	0.626	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.6	177.6	-74.2	-18.7	0	0	0	114.3	N579	N579-N581 PolarHBondContact O-N 3.28Å
582	N	49.5	Very low	54.9	Low	149 Å²	149	97.2 Å²	97.2	80%	0.797	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-13.2	176.5	-74.8	-12.6	0	0	0	112.7	N579 S580 N584	N579-N582 PolarHBondContact O-N 2.84Å; N579-N582 VanDerWaalsContact O-N 3.09Å; S580-N582 VanDerWaalsContact C-N 3.32Å; S580-N582 PolarHBondContact O-N 2.78Å; N582-N584 PolarHBondContact O-N 3.49Å
583	S	46.9	Very low	52.8	Low	67 Å²	67	98.3 Å²	98.3	47%	0.469	56%	0.559	S	S	.	*			trans	-96.4	40.6	-179.2	61.2	0	0	0	0	113.6	S580 G585	S580-S583 PolarHBondContact O-N 3.45Å; S580-S583 PolarHBondContact O-OG 3.09Å; S580-S583 VanDerWaalsContact O-OG 3.05Å; S583-G585 PolarHBondContact O-N 3.43Å
584	N	37.9	Very low	50.5	Low	157 Å²	157	101.1 Å²	101.1	84%	0.84	58%	0.582	S	S	*	*			trans	-79.7	40	171.6	-93.6	-24	0	0	0	112.9	N582	N582-N584 PolarHBondContact O-N 3.49Å
585	G	37.5	Very low	48.2	Very low	55 Å²	55	106.2 Å²	106.2	57%	0.567	61%	0.609	S	S	*	*	S	Bend	trans	-103.9	115.6	167.1	0	0	0	0	0	109.2	S583 T587	S583-G585 PolarHBondContact O-N 3.43Å; G585-T587 PolarHBondContact O-N 2.84Å; G585-T587 VanDerWaalsContact O-N 3.14Å
586	K	31.6	Very low	46	Very low	214 Å²	214	111.3 Å²	111.3	93%	0.93	64%	0.64	S	S	*	*			trans	-41.8	114.9	-179.9	-70.3	172.5	172.1	177.5	0	112.9
587	T	40.1	Very low	44.2	Very low	111 Å²	111	115.3 Å²	115.3	68%	0.681	66%	0.655	S	S	*	*			trans	-163.7	135.6	155.7	0.7	0	0	0	0	109.3	G585 Q589	G585-T587 PolarHBondContact O-N 2.84Å; G585-T587 VanDerWaalsContact O-N 3.14Å; T587-Q589 PolarHBondContact O-N 3.21Å; T587-Q589 VanDerWaalsContact O-N 3.11Å
588	D	34	Very low	42.8	Very low	159 Å²	159	120.9 Å²	120.9	85%	0.85	68%	0.678	S	S	*	*			trans	-71.2	102.6	-174.4	-56.4	-72.5	0	0	0	111.4	S590	D588-S590 PolarHBondContact O-N 3.15Å
589	Q	42.8	Very low	41.2	Very low	131 Å²	131	123.9 Å²	123.9	61%	0.612	69%	0.694	S	S	*	*			trans	-94.7	26.9	-177.5	-68.6	-167.4	13.2	0	0	114.6	T587 N591 S592	T587-Q589 PolarHBondContact O-N 3.21Å; T587-Q589 VanDerWaalsContact O-N 3.11Å; Q589-N591 PolarHBondContact O-N 2.86Å; Q589-S592 PolarHBondContact O-N 3.4Å
590	S	37.8	Very low	39.7	Very low	105 Å²	105	122 Å²	122	73%	0.734	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-11.2	179.8	43.6	0	0	0	0	115.1	D588	D588-S590 PolarHBondContact O-N 3.15Å
591	N	39.6	Very low	38.8	Very low	124 Å²	124	123.9 Å²	123.9	66%	0.663	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	3.5	-177.3	-68.7	-27.4	0	0	0	115.2	Q589 V593	Q589-N591 PolarHBondContact O-N 2.86Å; N591-V593 PolarHBondContact O-N 3.15Å
592	S	38	Very low	37.7	Very low	64 Å²	64	127.1 Å²	127.1	45%	0.448	72%	0.723	S	S	.	*	H	α-helix	trans	-74	-26.6	-168.3	-163.1	0	0	0	0	114.9	Q589 A594	Q589-S592 PolarHBondContact O-N 3.4Å; S592-A594 PolarHBondContact O-N 3.05Å
593	V	41.7	Very low	37	Very low	131 Å²	131	125.2 Å²	125.2	79%	0.794	73%	0.728	S	S	*	*	H	α-helix	trans	-74.1	-26.4	-174.4	-173.8	0	0	0	0	112.7	N591	N591-V593 PolarHBondContact O-N 3.15Å
594	A	36.1	Very low	36.2	Very low	69 Å²	69	126.5 Å²	126.5	57%	0.57	74%	0.737	S	S	*	*	H	α-helix	trans	-80.6	-25.2	-179.5	0	0	0	0	0	113.9	S592	S592-A594 PolarHBondContact O-N 3.05Å
595	N	36.1	Very low	35.9	Very low	109 Å²	109	126 Å²	126	58%	0.583	73%	0.732	S	S	*	*	H	α-helix	trans	-87	-20.6	-173.4	-68.9	-10.3	0	0	0	113.4	L597 K598	N595-L597 PolarHBondContact O-N 3.48Å; N595-K598 PolarHBondContact O-N 3.47Å
596	L	37.2	Very low	35.8	Very low	163 Å²	163	131.8 Å²	131.8	85%	0.853	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-6	179.8	-142.4	82.8	0	0	0	114.1
597	L	40.7	Very low	35.6	Very low	161 Å²	161	126.9 Å²	126.9	84%	0.843	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	2.2	-178.5	-83.3	163	0	0	0	113.8	N595	N595-L597 PolarHBondContact O-N 3.48Å
598	K	40.4	Very low	35.3	Very low	175 Å²	175	127.4 Å²	127.4	76%	0.761	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	-37.6	-169.7	-113.6	178	177.4	-179.5	0	116.8	N595	N595-K598 PolarHBondContact O-N 3.47Å
599	D	32.6	Very low	35.1	Very low	142 Å²	142	129.2 Å²	129.2	76%	0.759	75%	0.754	S	S	*	*			trans	-119.4	88.7	-171.9	-71.5	-56.2	0	0	0	113.8	T601	D599-T601 PolarHBondContact O-N 2.96Å
600	G	28.9	Very low	34.5	Very low	82 Å²	82	126.7 Å²	126.7	85%	0.845	76%	0.763	S	S	*	*			trans	-81.4	76	163.1	0	0	0	0	0	111.7
601	T	32.7	Very low	34.1	Very low	116 Å²	116	128.6 Å²	128.6	71%	0.712	76%	0.76	S	S	*	*	S	Bend	trans	-161.3	119.2	161.7	-73.3	0	0	0	0	111.5	D599	D599-T601 PolarHBondContact O-N 2.96Å
602	Q	29.6	Very low	33.7	Very low	185 Å²	185	127.3 Å²	127.3	86%	0.864	76%	0.759	S	S	*	*			trans	45.3	112.4	159.5	-62	-172.6	58.1	0	0	120.2
603	A	34.1	Very low	33.6	Very low	110 Å²	110	130.1 Å²	130.1	91%	0.909	78%	0.775	S	S	*	*			trans	-124.3	112.6	149.6	0	0	0	0	0	109.2
604	S	31.7	Very low	33.5	Very low	94 Å²	94	128.2 Å²	128.2	66%	0.657	76%	0.764	S	S	*	*			trans	-86	139.2	-173.9	167.2	0	0	0	0	112.6
605	I	30	Very low	34.1	Very low	145 Å²	145	130.1 Å²	130.1	74%	0.744	77%	0.768	S	S	*	*			trans	31.7	110.9	142.9	-49.9	167.4	0	0	0	116.6
606	L	35.6	Very low	34.9	Very low	177 Å²	177	130.5 Å²	130.5	93%	0.927	78%	0.775	S	S	*	*			trans	-145.6	119	145.9	-109.1	167.2	0	0	0	110.2
607	S	28.3	Very low	36.2	Very low	111 Å²	111	126.2 Å²	126.2	78%	0.776	75%	0.749	S	S	*	*			trans	-75.9	141.7	-175.4	-51	0	0	0	0	112.5
608	S	32.8	Very low	38	Very low	122 Å²	122	121.9 Å²	121.9	85%	0.853	73%	0.727	S	S	*	*			trans	-146.6	135	160.2	-167.8	0	0	0	0	109.5
609	E	30	Very low	40	Very low	198 Å²	198	116.4 Å²	116.4	93%	0.925	71%	0.706	S	S	*	*	S	Bend	trans	-73.5	147.7	-173.8	-62.3	175.5	110.1	0	0	112.6
610	G	31.2	Very low	42.5	Very low	77 Å²	77	112.5 Å²	112.5	79%	0.794	69%	0.693	S	S	*	*			trans	100.2	37.3	159.8	0	0	0	0	0	117.7
611	E	28.6	Very low	45.5	Very low	146 Å²	146	109.4 Å²	109.4	68%	0.682	66%	0.658	S	S	*	*			trans	-77.8	129.1	176.7	-147.8	-176	160	0	0	112.6	T614	E611-T614 VanDerWaalsContact CD-OG1 3.23Å; E611-T614 WeakPolarHBondContact OE1-CB 3.44Å; E611-T614 WeakPolarHBondContact OE1-CG2 3.37Å; E611-T614 PolarHBondContact OE1-OG1 3.26Å
612	P	31.8	Very low	48.3	Very low	97 Å²	97	103.9 Å²	103.9	63%	0.63	62%	0.624	S	S	*	*			trans	-65.4	161.9	163.5	31.2	-34.9	0	0	0	109.6	T614	P612-T614 PolarHBondContact O-N 3.24Å
613	P	35.8	Very low	51.1	Low	123 Å²	123	95.8 Å²	95.8	80%	0.799	59%	0.59	S	S	*	*			trans	-61.7	103.9	-174.8	25.9	-34.9	0	0	0	111.2	V615	P613-V615 PolarHBondContact O-N 3.06Å
614	T	39.2	Very low	53.8	Low	91 Å²	91	93.2 Å²	93.2	56%	0.558	56%	0.564	S	S	*	*			trans	-63.1	99.4	172.2	-3.2	0	0	0	0	107.5	E611 P612 T616	E611-T614 VanDerWaalsContact CD-OG1 3.23Å; E611-T614 WeakPolarHBondContact OE1-CB 3.44Å; E611-T614 WeakPolarHBondContact OE1-CG2 3.37Å; E611-T614 PolarHBondContact OE1-OG1 3.26Å; P612-T614 PolarHBondContact O-N 3.24Å; T614-T616 VanDerWaalsContact C-N 3.27Å; T614-T616 PolarHBondContact O-N 3.08Å
615	V	49.2	Very low	56.7	Low	108 Å²	108	88.7 Å²	88.7	66%	0.655	53%	0.533	S	S	*	.			trans	-66.9	94.6	172.2	179.6	0	0	0	0	106.6	P613 F617	P613-V615 PolarHBondContact O-N 3.06Å; V615-F617 PolarHBondContact O-N 2.71Å
616	T	52.2	Low	59.7	Low	117 Å²	117	81.8 Å²	81.8	72%	0.718	50%	0.497	S	S	*	.			trans	-55.4	108	-178.6	49.1	0	0	0	0	109.4	T614 D618	T614-T616 VanDerWaalsContact C-N 3.27Å; T614-T616 PolarHBondContact O-N 3.08Å; T616-D618 PolarHBondContact O-N 3.32Å; T616-D618 VanDerWaalsContact O-N 3.09Å
617	F	65.5	Low	62.4	Low	73 Å²	73	79.4 Å²	79.4	32%	0.32	48%	0.479	S	S	.	.			trans	-71.2	104.6	-178.9	170.4	-134.3	0	0	0	109.9	A539 I571 V615 L619 L622	A539-F617 WeakPolarHBondContact O-CD2 3.26Å; I571-F617 HydrophobicContact CG2-CZ 4.36Å; V615-F617 PolarHBondContact O-N 2.71Å; F617-L619 HydrophobicContact CE1-CB 3.97Å; F617-L619 HydrophobicContact CE1-CD1 3.77Å; F617-L619 HydrophobicContact CE1-CG 4.4Å; F617-L619 HydrophobicContact CE2-CD1 4.44Å; F617-L619 HydrophobicContact CZ-CB 4.05Å; F617-L619 HydrophobicContact CZ-CD1 3.46Å; F617-L619 VanDerWaalsContact CZ-CD1 3.46Å; F617-L619 HydrophobicContact CZ-CG 4.36Å; F617-L619 PolarHBondContact O-N 3.36Å; F617-L622 HydrophobicContact CE2-CB 4.46Å; F617-L622 HydrophobicContact CE2-CD2 4.02Å; F617-L622 HydrophobicContact CZ-CD2 4.08Å
618	D	77.8	Confident	65.3	Low	71 Å²	71	75.3 Å²	75.3	38%	0.38	45%	0.452	S	S	.	.			trans	-86.5	97.7	170.7	-163.4	-32.4	0	0	0	110.3	T616 A620 C621 L622	T616-D618 PolarHBondContact O-N 3.32Å; T616-D618 VanDerWaalsContact O-N 3.09Å; D618-A620 PolarHBondContact O-N 2.72Å; D618-A620 VanDerWaalsContact OD1-CA 3.28Å; D618-A620 WeakPolarHBondContact OD1-CA 3.26Å; D618-A620 VanDerWaalsContact OD1-CB 3.23Å; D618-A620 WeakPolarHBondContact OD1-CB 3.39Å; D618-A620 PolarHBondContact OD1-N 2.7Å; D618-C621 HydrophobicContact CB-CB 3.82Å; D618-C621 WeakPolarHBondContact O-CB 2.78Å; D618-C621 PolarHBondContact O-N 3.18Å; D618-C621 PolarHBondContact OD1-N 3Å; D618-C621 PolarHBondContact OD2-SG 3.25Å; D618-L622 PolarHBondContact O-N 3.11Å; D618-L622 VanDerWaalsContact O-N 3.1Å
619	L	82.1	Confident	68.1	Low	59 Å²	59	69.5 Å²	69.5	31%	0.309	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-27.2	174.1	-175.5	68.7	0	0	0	111.8	L568 F617 L622 A623	L568-L619 HydrophobicContact CD2-CD1 3.56Å; L568-L619 HydrophobicContact CD2-CG 4.2Å; F617-L619 HydrophobicContact CE1-CB 3.97Å; F617-L619 HydrophobicContact CE1-CD1 3.77Å; F617-L619 HydrophobicContact CE1-CG 4.4Å; F617-L619 HydrophobicContact CE2-CD1 4.44Å; F617-L619 HydrophobicContact CZ-CB 4.05Å; F617-L619 HydrophobicContact CZ-CD1 3.46Å; F617-L619 VanDerWaalsContact CZ-CD1 3.46Å; F617-L619 HydrophobicContact CZ-CG 4.36Å; F617-L619 PolarHBondContact O-N 3.36Å; L619-L622 HydrophobicContact CD1-CD2 4.45Å; L619-L622 PolarHBondContact O-N 3.23Å; L619-A623 WeakPolarHBondContact O-CB 3.5Å; L619-A623 PolarHBondContact O-N 2.78Å
620	A	86.1	Confident	71	Confident	61 Å²	61	65.2 Å²	65.2	50%	0.504	39%	0.387	S	S	.	.	H	α-helix	trans	-73.8	-40.4	175.2	0	0	0	0	0	111	D618 L622 A623 C624	D618-A620 PolarHBondContact O-N 2.72Å; D618-A620 VanDerWaalsContact OD1-CA 3.28Å; D618-A620 WeakPolarHBondContact OD1-CA 3.26Å; D618-A620 VanDerWaalsContact OD1-CB 3.23Å; D618-A620 WeakPolarHBondContact OD1-CB 3.39Å; D618-A620 PolarHBondContact OD1-N 2.7Å; A620-L622 VanDerWaalsContact C-N 3.31Å; A620-L622 PolarHBondContact O-N 2.82Å; A620-A623 WeakPolarHBondContact O-CB 3.41Å; A620-A623 PolarHBondContact O-N 3.24Å; A620-A623 VanDerWaalsContact O-N 3.14Å; A620-C624 WeakPolarHBondContact O-CB 3.22Å; A620-C624 PolarHBondContact O-N 3.23Å; A620-C624 PolarHBondContact O-SG 3.28Å; A620-C624 VanDerWaalsContact O-SG 3.34Å
621	C	90.5	Very high	73.6	Confident	16 Å²	16	65.6 Å²	65.6	11%	0.108	38%	0.377	C	S	.	.	H	α-helix	trans	-57.3	-43.6	168.7	-71.1	0	0	0	0	111.6	Q538 D618 A623 C624 G625	Q538-C621 HydrophobicContact CB-CB 4.24Å; Q538-C621 PolarHBondContact OE1-SG 2.89Å; Q538-C621 VanDerWaalsContact OE1-SG 3.36Å; D618-C621 HydrophobicContact CB-CB 3.82Å; D618-C621 WeakPolarHBondContact O-CB 2.78Å; D618-C621 PolarHBondContact O-N 3.18Å; D618-C621 PolarHBondContact OD1-N 3Å; D618-C621 PolarHBondContact OD2-SG 3.25Å; C621-A623 VanDerWaalsContact C-N 3.35Å; C621-A623 PolarHBondContact O-N 3.46Å; C621-C624 PolarHBondContact O-N 2.9Å; C621-G625 PolarHBondContact O-N 3.11Å
622	L	91.5	Very high	76.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-44.4	174.3	-176.3	57.5	0	0	0	111.5	I536 A539 L541 L568 I571 F617 D618 L619 A620 G625 L626	I536-L622 HydrophobicContact CD1-CD1 3.84Å; A539-L622 HydrophobicContact CB-CB 3.83Å; A539-L622 HydrophobicContact CB-CD1 4.22Å; L541-L622 HydrophobicContact CD1-CD1 4.02Å; L541-L622 HydrophobicContact CD2-CD1 4.17Å; L541-L622 HydrophobicContact CD2-CD2 4.26Å; L541-L622 HydrophobicContact CG-CD1 4.48Å; L568-L622 HydrophobicContact CD2-CB 4.12Å; L568-L622 HydrophobicContact CD2-CD2 3.96Å; L568-L622 HydrophobicContact CD2-CG 3.83Å; I571-L622 HydrophobicContact CB-CD2 3.96Å; I571-L622 HydrophobicContact CG1-CD2 4.15Å; I571-L622 HydrophobicContact CG2-CD2 3.75Å; F617-L622 HydrophobicContact CE2-CB 4.46Å; F617-L622 HydrophobicContact CE2-CD2 4.02Å; F617-L622 HydrophobicContact CZ-CD2 4.08Å; D618-L622 PolarHBondContact O-N 3.11Å; D618-L622 VanDerWaalsContact O-N 3.1Å; L619-L622 HydrophobicContact CD1-CD2 4.45Å; L619-L622 PolarHBondContact O-N 3.23Å; A620-L622 VanDerWaalsContact C-N 3.31Å; A620-L622 PolarHBondContact O-N 2.82Å; L622-G625 PolarHBondContact O-N 3.34Å; L622-L626 HydrophobicContact CD1-CD1 4.05Å; L622-L626 HydrophobicContact CD1-CG 4.08Å; L622-L626 HydrophobicContact CG-CD1 4.1Å; L622-L626 HydrophobicContact CG-CG 4.49Å; L622-L626 WeakPolarHBondContact O-CB 3.34Å; L622-L626 VanDerWaalsContact O-CG 3.26Å; L622-L626 WeakPolarHBondContact O-CG 3.41Å; L622-L626 PolarHBondContact O-N 3.09Å
623	A	89.9	Confident	79	Confident	16 Å²	16	55.8 Å²	55.8	13%	0.132	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-44.9	179.8	0	0	0	0	0	112.5	L568 L619 A620 C621 K627	L568-A623 HydrophobicContact CD1-CB 3.69Å; L568-A623 HydrophobicContact CD2-CB 3.97Å; L568-A623 HydrophobicContact CG-CB 4.38Å; L619-A623 WeakPolarHBondContact O-CB 3.5Å; L619-A623 PolarHBondContact O-N 2.78Å; A620-A623 WeakPolarHBondContact O-CB 3.41Å; A620-A623 PolarHBondContact O-N 3.24Å; A620-A623 VanDerWaalsContact O-N 3.14Å; C621-A623 VanDerWaalsContact C-N 3.35Å; C621-A623 PolarHBondContact O-N 3.46Å; A623-K627 VanDerWaalsContact O-CG 3.25Å; A623-K627 WeakPolarHBondContact O-CG 3.34Å; A623-K627 PolarHBondContact O-N 3.09Å
624	C	90.4	Very high	81.4	Confident	55 Å²	55	51.4 Å²	51.4	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-46.7	176.1	-68.4	0	0	0	0	111.2	E535 A620 C621 L626 K627 A628	E535-C624 HydrophobicContact CG-CB 4.46Å; E535-C624 VanDerWaalsContact OE2-CB 3.27Å; E535-C624 WeakPolarHBondContact OE2-CB 3.34Å; A620-C624 WeakPolarHBondContact O-CB 3.22Å; A620-C624 PolarHBondContact O-N 3.23Å; A620-C624 PolarHBondContact O-SG 3.28Å; A620-C624 VanDerWaalsContact O-SG 3.34Å; C621-C624 PolarHBondContact O-N 2.9Å; C624-L626 VanDerWaalsContact C-N 3.34Å; C624-L626 PolarHBondContact O-N 3.43Å; C624-K627 WeakPolarHBondContact O-CB 3.26Å; C624-K627 PolarHBondContact O-N 2.93Å; C624-K627 VanDerWaalsContact O-N 3.11Å; C624-A628 PolarHBondContact O-N 3.41Å
625	G	91.9	Very high	83.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-40	178.8	0	0	0	0	0	112.3	F532 E535 C621 L622 A628 L629	F532-G625 VanDerWaalsContact CD2-O 3.24Å; F532-G625 WeakPolarHBondContact CD2-O 3.43Å; E535-G625 WeakPolarHBondContact OE2-CA 3.47Å; E535-G625 PolarHBondContact OE2-N 3.46Å; C621-G625 PolarHBondContact O-N 3.11Å; L622-G625 PolarHBondContact O-N 3.34Å; G625-A628 PolarHBondContact O-N 2.88Å; G625-L629 WeakPolarHBondContact O-CB 3.13Å; G625-L629 PolarHBondContact O-N 3.46Å
626	L	92.8	Very high	85.4	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.5	-34.5	175.4	-65.4	177.3	0	0	0	112.8	I536 L549 P564 L568 L622 C624 L629 R630	I536-L626 HydrophobicContact CD1-CD2 4.33Å; I536-L626 HydrophobicContact CD1-CG 4.36Å; L549-L626 HydrophobicContact CD1-CD1 4.47Å; L549-L626 HydrophobicContact CD1-CD2 3.63Å; L549-L626 HydrophobicContact CD2-CD2 3.84Å; L549-L626 HydrophobicContact CG-CD2 4.3Å; P564-L626 HydrophobicContact CB-CB 4.07Å; L568-L626 HydrophobicContact CG-CD1 4.23Å; L622-L626 HydrophobicContact CD1-CD1 4.05Å; L622-L626 HydrophobicContact CD1-CG 4.08Å; L622-L626 HydrophobicContact CG-CD1 4.1Å; L622-L626 HydrophobicContact CG-CG 4.49Å; L622-L626 WeakPolarHBondContact O-CB 3.34Å; L622-L626 VanDerWaalsContact O-CG 3.26Å; L622-L626 WeakPolarHBondContact O-CG 3.41Å; L622-L626 PolarHBondContact O-N 3.09Å; C624-L626 VanDerWaalsContact C-N 3.34Å; C624-L626 PolarHBondContact O-N 3.43Å; L626-L629 HydrophobicContact CD2-CD2 4.22Å; L626-L629 PolarHBondContact O-N 2.86Å; L626-R630 PolarHBondContact O-N 2.95Å; L626-R630 VanDerWaalsContact O-N 3.11Å
627	K	91.8	Very high	87.2	Confident	127 Å²	127	40.4 Å²	40.4	55%	0.552	22%	0.221	S	C	*	.	H	α-helix	trans	-63.1	-39.9	170.8	-73.4	169.5	-178.8	-179.4	0	111.7	P564 A623 C624 R630	P564-K627 HydrophobicContact CB-CG 4.03Å; P564-K627 HydrophobicContact CG-CG 3.99Å; A623-K627 VanDerWaalsContact O-CG 3.25Å; A623-K627 WeakPolarHBondContact O-CG 3.34Å; A623-K627 PolarHBondContact O-N 3.09Å; C624-K627 WeakPolarHBondContact O-CB 3.26Å; C624-K627 PolarHBondContact O-N 2.93Å; C624-K627 VanDerWaalsContact O-N 3.11Å; K627-R630 WeakPolarHBondContact O-CB 3.32Å; K627-R630 PolarHBondContact O-N 3.42Å
628	A	90.2	Very high	88.2	Confident	24 Å²	24	37 Å²	37	20%	0.198	21%	0.205	C	C	.	.	H	α-helix	trans	-70.8	-34.6	174.8	0	0	0	0	0	112.7	F532 C624 G625 R630 S631 M632	F532-A628 HydrophobicContact CB-CB 4Å; F532-A628 HydrophobicContact CD2-CB 4.46Å; C624-A628 PolarHBondContact O-N 3.41Å; G625-A628 PolarHBondContact O-N 2.88Å; A628-R630 VanDerWaalsContact C-N 3.29Å; A628-R630 PolarHBondContact O-N 3.01Å; A628-S631 PolarHBondContact O-N 3.37Å; A628-S631 PolarHBondContact O-OG 2.83Å; A628-S631 VanDerWaalsContact O-OG 3.11Å; A628-M632 WeakPolarHBondContact O-CG 3.33Å
629	L	92	Very high	88.5	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-34.6	174.4	-171.9	57.8	0	0	0	112.3	K466 A469 L470 F532 V553 L563 G625 L626 S631 M632	K466-L629 HydrophobicContact CB-CD1 3.88Å; K466-L629 HydrophobicContact CB-CG 4.21Å; K466-L629 HydrophobicContact CG-CD1 4.16Å; K466-L629 HydrophobicContact CG-CG 4.32Å; A469-L629 HydrophobicContact CB-CD1 3.97Å; L470-L629 HydrophobicContact CD1-CD2 4.16Å; L470-L629 HydrophobicContact CD2-CD2 3.86Å; L470-L629 HydrophobicContact CG-CD2 3.93Å; F532-L629 HydrophobicContact CD2-CB 4.14Å; F532-L629 HydrophobicContact CE2-CB 3.73Å; F532-L629 HydrophobicContact CE2-CD1 3.82Å; F532-L629 HydrophobicContact CE2-CD2 4.24Å; F532-L629 HydrophobicContact CE2-CG 4.14Å; F532-L629 HydrophobicContact CZ-CD1 3.83Å; V553-L629 HydrophobicContact CG2-CD2 4.37Å; L563-L629 HydrophobicContact CD2-CB 4.5Å; L563-L629 HydrophobicContact CD2-CD2 4.27Å; L563-L629 HydrophobicContact CD2-CG 4.19Å; G625-L629 WeakPolarHBondContact O-CB 3.13Å; G625-L629 PolarHBondContact O-N 3.46Å; L626-L629 HydrophobicContact CD2-CD2 4.22Å; L626-L629 PolarHBondContact O-N 2.86Å; L629-S631 PolarHBondContact O-N 3.27Å; L629-M632 HydrophobicContact CD1-CE 4.26Å; L629-M632 HydrophobicContact CD1-SD 3.9Å
630	R	90	Very high	88.7	Confident	108 Å²	108	32.4 Å²	32.4	41%	0.408	18%	0.184	S	C	.	.	H	α-helix	trans	-57.1	-47.5	175.7	179.4	179.6	76	135.9	-5	112	P560 D561 L626 K627 A628 M632	P560-R630 HydrophobicContact CB-CG 4.25Å; P560-R630 VanDerWaalsContact O-CD 3.23Å; P560-R630 WeakPolarHBondContact O-CD 3.49Å; P560-R630 VanDerWaalsContact O-CG 3.25Å; P560-R630 WeakPolarHBondContact O-CG 3.44Å; D561-R630 WeakPolarHBondContact OD1-CD 3.47Å; D561-R630 IonicContact OD1-CZ 2.92Å; D561-R630 IonicContact OD1-NE 3.21Å; D561-R630 IonicContact OD1-NH1 2.89Å; D561-R630 PolarHBondContact OD1-NH1 2.86Å; D561-R630 IonicContact OD2-NH1 3.96Å; D561-R630 PolarHBondContact OD2-NH1 2.85Å; L626-R630 PolarHBondContact O-N 2.95Å; L626-R630 VanDerWaalsContact O-N 3.11Å; K627-R630 WeakPolarHBondContact O-CB 3.32Å; K627-R630 PolarHBondContact O-N 3.42Å; A628-R630 VanDerWaalsContact C-N 3.29Å; A628-R630 PolarHBondContact O-N 3.01Å; R630-M632 VanDerWaalsContact C-N 3.3Å; R630-M632 PolarHBondContact O-N 3.32Å
631	S	86.1	Confident	88.7	Confident	85 Å²	85	29.6 Å²	29.6	59%	0.594	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	2.8	-172.3	52.2	0	0	0	0	114.8	A628 L629 C633	A628-S631 PolarHBondContact O-N 3.37Å; A628-S631 PolarHBondContact O-OG 2.83Å; A628-S631 VanDerWaalsContact O-OG 3.11Å; L629-S631 PolarHBondContact O-N 3.27Å; S631-C633 PolarHBondContact O-N 3.31Å
632	M	86.4	Confident	88.5	Confident	14 Å²	14	28.8 Å²	28.8	7%	0.069	16%	0.155	C	C	.	.			trans	-65.4	115.7	-177.2	-71.1	-158.5	177	0	0	113.8	A469 L529 F532 A628 L629 R630 P634 I637	A469-M632 HydrophobicContact CB-CE 3.99Å; A469-M632 HydrophobicContact CB-SD 3.49Å; A469-M632 WeakPolarHBondContact CB-SD 3.46Å; L529-M632 HydrophobicContact CD1-CE 3.68Å; L529-M632 HydrophobicContact CD1-SD 4.31Å; F532-M632 HydrophobicContact CB-CE 3.76Å; F532-M632 HydrophobicContact CD1-CE 3.23Å; F532-M632 HydrophobicContact CD2-CE 3.83Å; F532-M632 HydrophobicContact CE1-CE 3.71Å; F532-M632 HydrophobicContact CE2-CE 4.25Å; F532-M632 HydrophobicContact CG-CE 3.28Å; F532-M632 HydrophobicContact CZ-CE 4.19Å; A628-M632 WeakPolarHBondContact O-CG 3.33Å; L629-M632 HydrophobicContact CD1-CE 4.26Å; L629-M632 HydrophobicContact CD1-SD 3.9Å; R630-M632 VanDerWaalsContact C-N 3.3Å; R630-M632 PolarHBondContact O-N 3.32Å; M632-P634 WeakPolarHBondContact O-CD 3.43Å; M632-I637 HydrophobicContact SD-CD1 4.07Å
633	C	87.2	Confident	87.9	Confident	24 Å²	24	31.4 Å²	31.4	16%	0.162	17%	0.173	C	C	.	.			trans	-74.7	117.5	177.1	-179.8	0	0	0	0	111.8	R519 S631 Y635 R636 I637	R519-C633 PolarHBondContact NH1-SG 3.18Å; S631-C633 PolarHBondContact O-N 3.31Å; C633-Y635 VanDerWaalsContact C-N 3.31Å; C633-Y635 PolarHBondContact O-N 3.28Å; C633-R636 HydrophobicContact CB-CB 4.17Å; C633-R636 HydrophobicContact CB-CG 4.14Å; C633-R636 PolarHBondContact O-N 3.28Å; C633-R636 VanDerWaalsContact O-N 3.15Å; C633-I637 PolarHBondContact O-N 3.37Å; C633-I637 VanDerWaalsContact O-N 3.15Å
634	P	86.8	Confident	87.4	Confident	30 Å²	30	32.9 Å²	32.9	20%	0.195	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-37.5	-176.7	21	-31.7	0	0	0	113	W464 Q465 L507 M632 R636 I637 A638	W464-P634 WeakPolarHBondContact CH2-O 3.34Å; W464-P634 HydrophobicContact CZ2-CB 3.7Å; W464-P634 WeakPolarHBondContact CZ2-O 3.18Å; Q465-P634 HydrophobicContact CB-CB 3.99Å; Q465-P634 HydrophobicContact CG-CB 3.77Å; L507-P634 HydrophobicContact CD2-CB 3.99Å; L507-P634 HydrophobicContact CD2-CG 4.39Å; M632-P634 WeakPolarHBondContact O-CD 3.43Å; P634-R636 PolarHBondContact O-N 3.5Å; P634-I637 PolarHBondContact O-N 2.99Å; P634-A638 WeakPolarHBondContact O-CB 3.4Å; P634-A638 PolarHBondContact O-N 3.27Å
635	Y	85.4	Confident	86.8	Confident	24 Å²	24	30.2 Å²	30.2	9%	0.094	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-40.1	177.1	-65	-87.2	0	0	0	113.4	L507 D509 R519 C633 A638 S639	L507-Y635 HydrophobicContact CB-CE1 3.76Å; L507-Y635 HydrophobicContact CD1-CD1 3.79Å; L507-Y635 HydrophobicContact CD1-CE1 3.87Å; L507-Y635 HydrophobicContact CD2-CD1 4.15Å; L507-Y635 HydrophobicContact CD2-CD2 4.45Å; L507-Y635 HydrophobicContact CD2-CE1 3.96Å; L507-Y635 HydrophobicContact CD2-CE2 4.3Å; L507-Y635 HydrophobicContact CD2-CG 4.38Å; L507-Y635 HydrophobicContact CG-CD1 4.38Å; L507-Y635 HydrophobicContact CG-CE1 4.07Å; D509-Y635 HydrophobicContact CB-CE1 4.37Å; D509-Y635 VanDerWaalsContact CB-OH 3.25Å; D509-Y635 WeakPolarHBondContact CB-OH 3.34Å; D509-Y635 PolarHBondContact N-OH 3.31Å; D509-Y635 VanDerWaalsContact N-OH 3.09Å; D509-Y635 PolarHBondContact OD2-OH 3.43Å; R519-Y635 VanDerWaalsContact CD-CB 3.46Å; C633-Y635 VanDerWaalsContact C-N 3.31Å; C633-Y635 PolarHBondContact O-N 3.28Å; Y635-A638 PolarHBondContact O-N 2.95Å; Y635-S639 WeakPolarHBondContact O-CB 3.35Å; Y635-S639 PolarHBondContact O-N 3.45Å
636	R	87.4	Confident	85.8	Confident	62 Å²	62	33.1 Å²	33.1	23%	0.234	17%	0.17	C	C	.	.	H	α-helix	trans	-70.9	-39.1	179.3	-69.2	-178.1	172	-154.1	-14.2	110.9	R519 D522 F525 C633 P634 L640	R519-R636 HydrophobicContact CB-CG 4.43Å; D522-R636 IonicContact OD1-CZ 3.37Å; D522-R636 IonicContact OD1-NH1 3.38Å; D522-R636 PolarHBondContact OD1-NH1 2.94Å; D522-R636 IonicContact OD2-CZ 3.46Å; D522-R636 IonicContact OD2-NH1 2.74Å; D522-R636 PolarHBondContact OD2-NH1 3.37Å; D522-R636 IonicContact OD2-NH2 2.7Å; D522-R636 PolarHBondContact OD2-NH2 3.33Å; F525-R636 HydrophobicContact CD1-CB 3.84Å; F525-R636 HydrophobicContact CD2-CB 4.07Å; F525-R636 HydrophobicContact CE1-CB 3.56Å; F525-R636 HydrophobicContact CE2-CB 3.79Å; F525-R636 HydrophobicContact CG-CB 4.08Å; F525-R636 HydrophobicContact CG-CG 4.5Å; F525-R636 HydrophobicContact CZ-CB 3.52Å; C633-R636 HydrophobicContact CB-CB 4.17Å; C633-R636 HydrophobicContact CB-CG 4.14Å; C633-R636 PolarHBondContact O-N 3.28Å; C633-R636 VanDerWaalsContact O-N 3.15Å; P634-R636 PolarHBondContact O-N 3.5Å; R636-L640 WeakPolarHBondContact O-CB 3.18Å; R636-L640 PolarHBondContact O-N 2.92Å
637	I	89.3	Confident	84.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-50.6	169.4	-64	-72.9	0	0	0	110.5	W464 Q465 L468 F525 L529 M632 C633 P634 S639 L640 F641	W464-I637 HydrophobicContact CH2-CB 4.21Å; W464-I637 HydrophobicContact CH2-CG2 3.85Å; W464-I637 HydrophobicContact CZ3-CG2 3.77Å; Q465-I637 HydrophobicContact CB-CB 4.28Å; Q465-I637 HydrophobicContact CB-CG1 4.25Å; Q465-I637 HydrophobicContact CB-CG2 4.24Å; L468-I637 HydrophobicContact CD2-CG2 3.99Å; F525-I637 HydrophobicContact CZ-CD1 3.78Å; F525-I637 HydrophobicContact CZ-CG1 3.97Å; L529-I637 HydrophobicContact CD1-CD1 4.11Å; M632-I637 HydrophobicContact SD-CD1 4.07Å; C633-I637 PolarHBondContact O-N 3.37Å; C633-I637 VanDerWaalsContact O-N 3.15Å; P634-I637 PolarHBondContact O-N 2.99Å; I637-S639 PolarHBondContact O-N 3.06Å; I637-L640 PolarHBondContact O-N 2.69Å; I637-F641 HydrophobicContact CD1-CE2 4.44Å; I637-F641 HydrophobicContact CG2-CD2 4.23Å; I637-F641 WeakPolarHBondContact O-CB 3.48Å; I637-F641 PolarHBondContact O-N 3.06Å
638	A	86.5	Confident	83.2	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-45	-180	0	0	0	0	0	112	W464 P503 W504 L507 P634 Y635 C642 S643	W464-A638 HydrophobicContact CH2-CB 3.81Å; W464-A638 HydrophobicContact CZ2-CB 4.22Å; P503-A638 HydrophobicContact CG-CB 4.19Å; W504-A638 HydrophobicContact CE3-CB 4.4Å; W504-A638 HydrophobicContact CH2-CB 3.86Å; W504-A638 HydrophobicContact CZ2-CB 4.02Å; W504-A638 WeakPolarHBondContact CZ2-O 3.29Å; W504-A638 HydrophobicContact CZ3-CB 4.07Å; L507-A638 HydrophobicContact CD1-CB 4.2Å; P634-A638 WeakPolarHBondContact O-CB 3.4Å; P634-A638 PolarHBondContact O-N 3.27Å; Y635-A638 PolarHBondContact O-N 2.95Å; A638-C642 CarbonylContact O-C 3.43Å; A638-C642 VanDerWaalsContact O-CA 3.28Å; A638-C642 WeakPolarHBondContact O-CA 3.29Å; A638-C642 VanDerWaalsContact O-CB 3.31Å; A638-C642 WeakPolarHBondContact O-CB 3.25Å; A638-C642 PolarHBondContact O-N 2.73Å; A638-S643 PolarHBondContact O-N 3.27Å
639	S	83.5	Confident	81.8	Confident	31 Å²	31	39.5 Å²	39.5	22%	0.217	22%	0.217	C	C	.	.	H	α-helix	trans	-66.9	-36.2	179.6	-171.3	0	0	0	0	113.1	Y635 I637	Y635-S639 WeakPolarHBondContact O-CB 3.35Å; Y635-S639 PolarHBondContact O-N 3.45Å; I637-S639 PolarHBondContact O-N 3.06Å
640	L	86.2	Confident	80.8	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-75.8	-40.1	-179.9	-172.8	58.9	0	0	0	112.3	L397 P521 F525 L529 R636 I637	L397-L640 VanDerWaalsContact CD1-O 3.26Å; L397-L640 WeakPolarHBondContact CD1-O 3.24Å; L397-L640 HydrophobicContact CD2-CD1 4.19Å; L397-L640 HydrophobicContact CD2-CG 4.25Å; L397-L640 HydrophobicContact CG-CD1 4.13Å; L397-L640 HydrophobicContact CG-CG 4.37Å; L397-L640 WeakPolarHBondContact CG-O 3.35Å; P521-L640 HydrophobicContact CB-CB 4.49Å; P521-L640 HydrophobicContact CG-CB 4.1Å; P521-L640 HydrophobicContact CG-CD1 4.09Å; F525-L640 HydrophobicContact CE1-CD2 4.39Å; L529-L640 HydrophobicContact CD2-CD2 3.83Å; R636-L640 WeakPolarHBondContact O-CB 3.18Å; R636-L640 PolarHBondContact O-N 2.92Å; I637-L640 PolarHBondContact O-N 2.69Å
641	F	87.6	Confident	80.2	Confident	1 Å²	1	39.3 Å²	39.3	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-113.5	-29.3	-165.8	-71.7	-63.4	0	0	0	115.1	L397 V405 I409 M472 L477 V479 L529 I637 H644	L397-F641 HydrophobicContact CD1-CD1 3.91Å; L397-F641 HydrophobicContact CD1-CE1 4.35Å; L397-F641 HydrophobicContact CD2-CD1 4.26Å; L397-F641 HydrophobicContact CD2-CE1 3.9Å; V405-F641 HydrophobicContact CG1-CD1 3.92Å; V405-F641 HydrophobicContact CG1-CE1 4.24Å; I409-F641 HydrophobicContact CD1-CB 3.66Å; I409-F641 HydrophobicContact CD1-CD1 3.72Å; I409-F641 HydrophobicContact CD1-CG 4.07Å; I409-F641 WeakPolarHBondContact CD1-O 3.45Å; M472-F641 HydrophobicContact CE-CB 4.12Å; M472-F641 HydrophobicContact CE-CD1 3.59Å; M472-F641 HydrophobicContact CE-CD2 3.58Å; M472-F641 HydrophobicContact CE-CE1 3.75Å; M472-F641 HydrophobicContact CE-CE2 3.72Å; M472-F641 HydrophobicContact CE-CG 3.5Å; M472-F641 VanDerWaalsContact CE-CG 3.5Å; M472-F641 HydrophobicContact CE-CZ 3.8Å; M472-F641 HydrophobicContact SD-CD2 4.28Å; M472-F641 HydrophobicContact SD-CE1 4.22Å; M472-F641 HydrophobicContact SD-CE2 3.83Å; M472-F641 HydrophobicContact SD-CZ 3.79Å; L477-F641 HydrophobicContact CD2-CE1 4.42Å; V479-F641 HydrophobicContact CG1-CE1 4.14Å; V479-F641 HydrophobicContact CG1-CZ 4.13Å; V479-F641 HydrophobicContact CG2-CE1 4.17Å; V479-F641 HydrophobicContact CG2-CZ 4.2Å; L529-F641 HydrophobicContact CD2-CE2 3.55Å; L529-F641 HydrophobicContact CD2-CZ 3.8Å; I637-F641 HydrophobicContact CD1-CE2 4.44Å; I637-F641 HydrophobicContact CG2-CD2 4.23Å; I637-F641 WeakPolarHBondContact O-CB 3.48Å; I637-F641 PolarHBondContact O-N 3.06Å; F641-H644 PolarHBondContact O-CE1 2.92Å; F641-H644 PolarHBondContact O-ND1 2.94Å
642	C	84.7	Confident	79.7	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.			trans	-110.8	13.9	-169.5	-53.4	0	0	0	0	113	P503 W504 A638 H644 L645	P503-C642 HydrophobicContact CG-CB 3.9Å; W504-C642 PolarHBondContact NE1-O 3.48Å; A638-C642 CarbonylContact O-C 3.43Å; A638-C642 VanDerWaalsContact O-CA 3.28Å; A638-C642 WeakPolarHBondContact O-CA 3.29Å; A638-C642 VanDerWaalsContact O-CB 3.31Å; A638-C642 WeakPolarHBondContact O-CB 3.25Å; A638-C642 PolarHBondContact O-N 2.73Å; C642-H644 PolarHBondContact O-N 3.27Å; C642-H644 VanDerWaalsContact O-N 3.16Å; C642-L645 HydrophobicContact CB-CD1 4.18Å; C642-L645 WeakPolarHBondContact O-CB 3.38Å; C642-L645 PolarHBondContact O-N 3.27Å
643	S	80.5	Confident	79.1	Confident	54 Å²	54	41.4 Å²	41.4	38%	0.378	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-60.2	-24.4	-177.6	53.8	0	0	0	0	114	A638	A638-S643 PolarHBondContact O-N 3.27Å
644	H	77.8	Confident	78.8	Confident	47 Å²	47	45.2 Å²	45.2	22%	0.218	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-73.2	-23.5	173	62.9	-59	0	0	0	114.1	Q406 T410 F641 C642 R646	Q406-H644 HydrophobicContact CG-CB 4.24Å; Q406-H644 PolarHBondContact O-NE2 3.01Å; T410-H644 PolarHBondContact OG1-NE2 2.81Å; F641-H644 PolarHBondContact O-CE1 2.92Å; F641-H644 PolarHBondContact O-ND1 2.94Å; C642-H644 PolarHBondContact O-N 3.27Å; C642-H644 VanDerWaalsContact O-N 3.16Å; H644-R646 PolarHBondContact O-N 2.87Å
645	L	78.4	Confident	78.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-83.4	19.1	-178.9	-60.6	171.7	0	0	0	113.1	T410 L413 E501 I502 C642 L651	T410-L645 HydrophobicContact CG2-CD2 4.17Å; L413-L645 HydrophobicContact CD1-CD1 3.45Å; L413-L645 VanDerWaalsContact CD1-CD1 3.45Å; E501-L645 HydrophobicContact CB-CB 4.32Å; E501-L645 WeakPolarHBondContact CB-O 3.41Å; E501-L645 VanDerWaalsContact OE1-CA 3.29Å; E501-L645 WeakPolarHBondContact OE1-CA 3.47Å; I502-L645 WeakPolarHBondContact O-CD1 3.43Å; C642-L645 HydrophobicContact CB-CD1 4.18Å; C642-L645 WeakPolarHBondContact O-CB 3.38Å; C642-L645 PolarHBondContact O-N 3.27Å; L645-L651 HydrophobicContact CD1-CD1 4.21Å
646	R	71.2	Confident	78.5	Confident	61 Å²	61	44.1 Å²	44.1	23%	0.23	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-80.2	-32.8	171	-69.8	175.9	170.5	-165	-6.1	111.7	Y494 W504 H644	Y494-R646 VanDerWaalsContact OH-CD 3.31Å; Y494-R646 WeakPolarHBondContact OH-CD 3.17Å; Y494-R646 PolarHBondContact OH-NE 3.11Å; W504-R646 HydrophobicContact CD2-CG 4.4Å; W504-R646 HydrophobicContact CG-CG 4.47Å; W504-R646 HydrophobicContact CZ2-CG 4.4Å; H644-R646 PolarHBondContact O-N 2.87Å
647	N	64.9	Low	78.2	Confident	152 Å²	152	44.7 Å²	44.7	81%	0.813	25%	0.248	S	C	*	.	S	Bend	trans	-134.3	15.2	-170.2	-58.7	-2	0	0	0	113.1
648	S	64.7	Low	78	Confident	38 Å²	38	49.4 Å²	49.4	27%	0.266	27%	0.27	S	S	.	.			trans	-89	174.8	177.7	138.1	0	0	0	0	110.1	E501	E501-S648 WeakPolarHBondContact OE1-CA 3.46Å; E501-S648 WeakPolarHBondContact OE1-CB 3.43Å; E501-S648 PolarHBondContact OE1-N 3.37Å; E501-S648 VanDerWaalsContact OE1-N 3.07Å; E501-S648 PolarHBondContact OE1-OG 2.7Å; E501-S648 VanDerWaalsContact OE2-C 3.29Å; E501-S648 PolarHBondContact OE2-OG 2.91Å
649	S	61.1	Low	78	Confident	94 Å²	94	49.4 Å²	49.4	66%	0.657	27%	0.27	S	S	*	.	S	Bend	trans	-124.7	14	-171.4	58.7	0	0	0	0	114.1	E501 N652	E501-S649 PolarHBondContact OE2-N 2.78Å; S649-N652 PolarHBondContact O-ND2 3.03Å
650	I	71.9	Confident	78	Confident	103 Å²	103	49.2 Å²	49.2	53%	0.528	27%	0.266	S	S	.	.	S	Bend	trans	-95.5	-44	-167.6	-59.1	171.8	0	0	0	111.4	T410 E501	T410-I650 HydrophobicContact CG2-CB 4.09Å; T410-I650 HydrophobicContact CG2-CD1 4.09Å; T410-I650 HydrophobicContact CG2-CG2 3.74Å; E501-I650 PolarHBondContact OE2-N 2.69Å
651	L	77	Confident	77.9	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	29%	0.291	C	S	.	.	S	Bend	trans	-105.5	50	-177.9	-61.6	176.2	0	0	0	111.1	T410 L413 R414 E501 I502 L645 F655	T410-L651 HydrophobicContact CG2-CD1 4.15Å; T410-L651 HydrophobicContact CG2-CG 4.2Å; L413-L651 HydrophobicContact CB-CD1 3.67Å; L413-L651 HydrophobicContact CD1-CD1 4.15Å; R414-L651 HydrophobicContact CB-CD2 3.98Å; R414-L651 HydrophobicContact CG-CD2 4.25Å; E501-L651 WeakPolarHBondContact CA-O 3.39Å; E501-L651 HydrophobicContact CB-CB 4.16Å; E501-L651 WeakPolarHBondContact CB-O 3.42Å; E501-L651 HydrophobicContact CG-CB 4.47Å; E501-L651 PolarHBondContact OE2-N 3Å; I502-L651 HydrophobicContact CB-CB 4.21Å; I502-L651 HydrophobicContact CB-CD1 4.47Å; I502-L651 PolarHBondContact N-O 3.33Å; L645-L651 HydrophobicContact CD1-CD1 4.21Å; L651-F655 HydrophobicContact CD2-CD1 3.76Å; L651-F655 HydrophobicContact CD2-CE1 3.66Å; L651-F655 HydrophobicContact CD2-CZ 4.36Å
652	N	74.9	Confident	77.8	Confident	58 Å²	58	56.8 Å²	56.8	31%	0.31	30%	0.303	S	S	.	.	S	Bend	trans	-85.7	-179.8	-174.2	67	32	0	0	0	113.2	S649 T654 F655 I656	S649-N652 PolarHBondContact O-ND2 3.03Å; N652-T654 VanDerWaalsContact C-N 3.26Å; N652-T654 PolarHBondContact O-N 3.33Å; N652-T654 WeakPolarHBondContact OD1-CA 3.37Å; N652-T654 WeakPolarHBondContact OD1-CB 3.45Å; N652-T654 PolarHBondContact OD1-N 2.9Å; N652-F655 WeakPolarHBondContact O-CB 3.32Å; N652-F655 PolarHBondContact O-N 3.4Å; N652-F655 VanDerWaalsContact O-N 3.12Å; N652-F655 PolarHBondContact OD1-N 3.44Å; N652-F655 VanDerWaalsContact OD1-N 3.1Å; N652-I656 PolarHBondContact O-N 3.04Å
653	Q	73.8	Confident	77.7	Confident	86 Å²	86	57.4 Å²	57.4	40%	0.402	31%	0.305	S	S	.	.	H	α-helix	trans	-58.7	-32.5	178.4	-162.1	-177	33.3	0	0	113.5	L447 F655 I656 L657	L447-Q653 PolarHBondContact O-NE2 3.04Å; Q653-F655 PolarHBondContact O-N 2.82Å; Q653-I656 PolarHBondContact O-N 2.87Å; Q653-L657 WeakPolarHBondContact O-CG 3.39Å; Q653-L657 PolarHBondContact O-N 3.14Å
654	T	80.5	Confident	77.8	Confident	103 Å²	103	58.4 Å²	58.4	63%	0.632	31%	0.306	S	S	*	.	H	α-helix	trans	-63.8	-40.1	176.1	-48.6	0	0	0	0	111.6	N652 L657 E658	N652-T654 VanDerWaalsContact C-N 3.26Å; N652-T654 PolarHBondContact O-N 3.33Å; N652-T654 WeakPolarHBondContact OD1-CA 3.37Å; N652-T654 WeakPolarHBondContact OD1-CB 3.45Å; N652-T654 PolarHBondContact OD1-N 2.9Å; T654-L657 PolarHBondContact O-N 3.28Å; T654-E658 PolarHBondContact O-N 3.1Å
655	F	84.2	Confident	78.1	Confident	20 Å²	20	60.7 Å²	60.7	9%	0.088	32%	0.319	C	S	.	.	H	α-helix	trans	-64.4	-40.8	174.4	173.3	-114	0	0	0	111.9	R414 T417 L651 N652 Q653 L657 E658 M659	R414-F655 HydrophobicContact CB-CZ 4.27Å; R414-F655 HydrophobicContact CG-CE1 4.27Å; R414-F655 HydrophobicContact CG-CE2 3.62Å; R414-F655 HydrophobicContact CG-CZ 3.46Å; R414-F655 VanDerWaalsContact CG-CZ 3.46Å; T417-F655 HydrophobicContact CG2-CE1 3.61Å; T417-F655 HydrophobicContact CG2-CZ 4.04Å; L651-F655 HydrophobicContact CD2-CD1 3.76Å; L651-F655 HydrophobicContact CD2-CE1 3.66Å; L651-F655 HydrophobicContact CD2-CZ 4.36Å; N652-F655 WeakPolarHBondContact O-CB 3.32Å; N652-F655 PolarHBondContact O-N 3.4Å; N652-F655 VanDerWaalsContact O-N 3.12Å; N652-F655 PolarHBondContact OD1-N 3.44Å; N652-F655 VanDerWaalsContact OD1-N 3.1Å; Q653-F655 PolarHBondContact O-N 2.82Å; F655-L657 VanDerWaalsContact C-N 3.33Å; F655-L657 PolarHBondContact O-N 2.89Å; F655-E658 PolarHBondContact O-N 3.47Å; F655-M659 HydrophobicContact CD2-CE 3.88Å; F655-M659 HydrophobicContact CD2-CG 4.17Å; F655-M659 HydrophobicContact CD2-SD 4.45Å; F655-M659 HydrophobicContact CE1-CG 4.17Å; F655-M659 HydrophobicContact CE2-CE 3.52Å; F655-M659 HydrophobicContact CE2-CG 3.65Å; F655-M659 HydrophobicContact CE2-SD 3.63Å; F655-M659 HydrophobicContact CZ-CE 4.4Å; F655-M659 HydrophobicContact CZ-CG 3.64Å; F655-M659 HydrophobicContact CZ-SD 3.93Å; F655-M659 WeakPolarHBondContact O-CG 3.34Å; F655-M659 PolarHBondContact O-N 3.42Å
656	I	82.4	Confident	78.1	Confident	11 Å²	11	61.9 Å²	61.9	6%	0.056	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-42	174.7	-62.4	175	0	0	0	111	W456 L457 I502 N652 Q653 M659 H660	W456-I656 HydrophobicContact CH2-CG2 4.21Å; W456-I656 HydrophobicContact CZ2-CG2 4.01Å; L457-I656 HydrophobicContact CD1-CG2 4.23Å; L457-I656 HydrophobicContact CD2-CG2 4.25Å; I502-I656 HydrophobicContact CD1-CD1 4.18Å; I502-I656 HydrophobicContact CD1-CG1 3.98Å; I502-I656 HydrophobicContact CG1-CD1 4.28Å; N652-I656 PolarHBondContact O-N 3.04Å; Q653-I656 PolarHBondContact O-N 2.87Å; I656-M659 PolarHBondContact O-N 3.3Å; I656-H660 WeakPolarHBondContact O-CB 3.31Å; I656-H660 PolarHBondContact O-N 3.29Å
657	L	81.3	Confident	78.5	Confident	75 Å²	75	61.1 Å²	61.1	39%	0.393	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-42	176.1	-70.4	168.7	0	0	0	112.2	F454 Q653 T654 F655 H660 I661	F454-L657 HydrophobicContact CE1-CD2 4.37Å; F454-L657 HydrophobicContact CZ-CD2 4.12Å; Q653-L657 WeakPolarHBondContact O-CG 3.39Å; Q653-L657 PolarHBondContact O-N 3.14Å; T654-L657 PolarHBondContact O-N 3.28Å; F655-L657 VanDerWaalsContact C-N 3.33Å; F655-L657 PolarHBondContact O-N 2.89Å; L657-H660 PolarHBondContact O-N 2.98Å; L657-I661 WeakPolarHBondContact O-CG1 3.47Å; L657-I661 PolarHBondContact O-N 3.33Å
658	E	85.7	Confident	79.2	Confident	98 Å²	98	59.8 Å²	59.8	46%	0.458	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-47.1	174.3	-168.6	-157.7	132.9	0	0	111.4	T654 F655 H660 I661 K662	T654-E658 PolarHBondContact O-N 3.1Å; F655-E658 PolarHBondContact O-N 3.47Å; E658-H660 VanDerWaalsContact C-N 3.3Å; E658-H660 PolarHBondContact O-N 3.08Å; E658-I661 PolarHBondContact O-N 3.36Å; E658-K662 PolarHBondContact O-N 3.26Å; E658-K662 VanDerWaalsContact O-N 3.09Å; E658-K662 VanDerWaalsContact OE1-CE 3.32Å; E658-K662 WeakPolarHBondContact OE1-CE 3.31Å; E658-K662 IonicContact OE1-NZ 3.66Å; E658-K662 PolarHBondContact OE1-NZ 3.16Å
659	M	86	Confident	79.8	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-33.5	177.9	-65.3	-46.4	92.6	0	0	112	T417 E418 A421 W456 F655 I656 K662 Y663	T417-M659 HydrophobicContact CG2-CG 4.01Å; E418-M659 HydrophobicContact CB-SD 3.99Å; E418-M659 HydrophobicContact CG-SD 4.24Å; A421-M659 HydrophobicContact CB-CB 4.2Å; W456-M659 HydrophobicContact CH2-CB 3.86Å; W456-M659 HydrophobicContact CZ2-CB 3.99Å; F655-M659 HydrophobicContact CD2-CE 3.88Å; F655-M659 HydrophobicContact CD2-CG 4.17Å; F655-M659 HydrophobicContact CD2-SD 4.45Å; F655-M659 HydrophobicContact CE1-CG 4.17Å; F655-M659 HydrophobicContact CE2-CE 3.52Å; F655-M659 HydrophobicContact CE2-CG 3.65Å; F655-M659 HydrophobicContact CE2-SD 3.63Å; F655-M659 HydrophobicContact CZ-CE 4.4Å; F655-M659 HydrophobicContact CZ-CG 3.64Å; F655-M659 HydrophobicContact CZ-SD 3.93Å; F655-M659 WeakPolarHBondContact O-CG 3.34Å; F655-M659 PolarHBondContact O-N 3.42Å; I656-M659 PolarHBondContact O-N 3.3Å; M659-K662 HydrophobicContact CE-CD 3.85Å; M659-K662 VanDerWaalsContact CE-NZ 3.35Å; M659-K662 PolarHBondContact O-N 3.1Å; M659-K662 HydrophobicContact SD-CD 3.99Å; M659-Y663 PolarHBondContact O-N 3.21Å
660	H	83.2	Confident	80.3	Confident	27 Å²	27	60.6 Å²	60.6	13%	0.125	31%	0.31	C	S	.	.	H	α-helix	trans	-66.9	-36.8	174.1	-173.8	51.9	0	0	0	112.5	F454 W456 I656 L657 E658 K662 Y663 L664	F454-H660 HydrophobicContact CD1-CB 3.8Å; F454-H660 AromaticContact CD1-CD2 3.72Å; F454-H660 AromaticContact CD1-CG 3.45Å; F454-H660 VanDerWaalsContact CD1-CG 3.45Å; F454-H660 AromaticContact CD1-ND1 3.67Å; F454-H660 HydrophobicContact CE1-CB 3.72Å; F454-H660 AromaticContact CE1-CD2 3.4Å; F454-H660 WeakPolarHBondContact CE1-CD2 3.37Å; F454-H660 AromaticContact CE1-CG 3.49Å; F454-H660 VanDerWaalsContact CE1-CG 3.49Å; W456-H660 AromaticContact CD1-ND1 3.89Å; W456-H660 HydrophobicContact CZ2-CB 4.39Å; W456-H660 AromaticContact NE1-CG 3.98Å; W456-H660 AromaticContact NE1-ND1 3.4Å; W456-H660 PolarHBondContact NE1-ND1 3.26Å; I656-H660 WeakPolarHBondContact O-CB 3.31Å; I656-H660 PolarHBondContact O-N 3.29Å; L657-H660 PolarHBondContact O-N 2.98Å; E658-H660 VanDerWaalsContact C-N 3.3Å; E658-H660 PolarHBondContact O-N 3.08Å; H660-K662 VanDerWaalsContact C-N 3.34Å; H660-Y663 AromaticContact CE1-CD1 3.87Å; H660-Y663 AromaticContact ND1-CD1 3.59Å; H660-Y663 WeakPolarHBondContact O-CB 3.34Å; H660-Y663 PolarHBondContact O-N 2.96Å; H660-L664 WeakPolarHBondContact O-CG 3.39Å; H660-L664 PolarHBondContact O-N 3.18Å
661	I	83.5	Confident	80.4	Confident	106 Å²	106	61 Å²	61	54%	0.544	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-43.7	172.3	-66.3	164.6	0	0	0	110.2	L657 E658 L664 L665	L657-I661 WeakPolarHBondContact O-CG1 3.47Å; L657-I661 PolarHBondContact O-N 3.33Å; E658-I661 PolarHBondContact O-N 3.36Å; I661-L664 PolarHBondContact O-N 3.35Å; I661-L665 HydrophobicContact CG2-CD1 4.37Å; I661-L665 WeakPolarHBondContact O-CG 3.38Å; I661-L665 PolarHBondContact O-N 2.93Å
662	K	86.2	Confident	80.2	Confident	57 Å²	57	64.7 Å²	64.7	25%	0.248	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-44.2	174.3	-68.7	-178.7	-178.2	169.3	0	112.5	E418 L422 E658 M659 H660 L664 L665 A666	E418-K662 IonicContact OE1-NZ 3.51Å; E418-K662 PolarHBondContact OE1-NZ 3.12Å; L422-K662 HydrophobicContact CD2-CB 4.21Å; E658-K662 PolarHBondContact O-N 3.26Å; E658-K662 VanDerWaalsContact O-N 3.09Å; E658-K662 VanDerWaalsContact OE1-CE 3.32Å; E658-K662 WeakPolarHBondContact OE1-CE 3.31Å; E658-K662 IonicContact OE1-NZ 3.66Å; E658-K662 PolarHBondContact OE1-NZ 3.16Å; M659-K662 HydrophobicContact CE-CD 3.85Å; M659-K662 VanDerWaalsContact CE-NZ 3.35Å; M659-K662 PolarHBondContact O-N 3.1Å; M659-K662 HydrophobicContact SD-CD 3.99Å; H660-K662 VanDerWaalsContact C-N 3.34Å; K662-L664 PolarHBondContact O-N 2.87Å; K662-L665 PolarHBondContact O-N 3.34Å; K662-A666 PolarHBondContact O-N 2.92Å
663	Y	83.1	Confident	79.6	Confident	14 Å²	14	66.4 Å²	66.4	6%	0.055	34%	0.341	C	S	.	.	H	α-helix	trans	-57.2	-45.1	173.9	162.5	-96.9	0	0	0	112.1	A421 T424 P425 W456 M659 H660 L665 A666 L667	A421-Y663 WeakPolarHBondContact O-CD2 3.33Å; T424-Y663 HydrophobicContact CG2-CE2 3.87Å; P425-Y663 HydrophobicContact CG-CD2 3.89Å; P425-Y663 HydrophobicContact CG-CE2 3.84Å; W456-Y663 HydrophobicContact CB-CD2 4.21Å; W456-Y663 HydrophobicContact CB-CE2 4.36Å; W456-Y663 AromaticContact CD1-CD1 3.89Å; W456-Y663 AromaticContact CD1-CG 3.73Å; W456-Y663 HydrophobicContact CG-CD2 4.36Å; W456-Y663 HydrophobicContact CG-CG 4.39Å; M659-Y663 PolarHBondContact O-N 3.21Å; H660-Y663 AromaticContact CE1-CD1 3.87Å; H660-Y663 AromaticContact ND1-CD1 3.59Å; H660-Y663 WeakPolarHBondContact O-CB 3.34Å; H660-Y663 PolarHBondContact O-N 2.96Å; Y663-L665 VanDerWaalsContact C-N 3.3Å; Y663-L665 PolarHBondContact O-N 3.27Å; Y663-A666 PolarHBondContact O-N 3.26Å; Y663-L667 HydrophobicContact CE1-CD1 4.2Å; Y663-L667 HydrophobicContact CE2-CD1 4.3Å; Y663-L667 WeakPolarHBondContact O-CB 3.35Å; Y663-L667 PolarHBondContact O-N 3.12Å; Y663-L667 WeakPolarHBondContact OH-CD1 3.38Å
664	L	81.3	Confident	79	Confident	75 Å²	75	64.8 Å²	64.8	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-67.1	-28.7	178.6	-70	175.1	0	0	0	113.1	H660 I661 K662 K668	H660-L664 WeakPolarHBondContact O-CG 3.39Å; H660-L664 PolarHBondContact O-N 3.18Å; I661-L664 PolarHBondContact O-N 3.35Å; K662-L664 PolarHBondContact O-N 2.87Å; L664-K668 VanDerWaalsContact O-CG 3.32Å; L664-K668 WeakPolarHBondContact O-CG 3.46Å; L664-K668 PolarHBondContact O-N 2.81Å
665	L	83.9	Confident	77.8	Confident	94 Å²	94	63.2 Å²	63.2	49%	0.492	33%	0.332	S	S	.	.	H	α-helix	trans	-71.3	-52.7	171.6	-68.8	169.7	0	0	0	110.6	I661 K662 Y663 L667 K668 D669	I661-L665 HydrophobicContact CG2-CD1 4.37Å; I661-L665 WeakPolarHBondContact O-CG 3.38Å; I661-L665 PolarHBondContact O-N 2.93Å; K662-L665 PolarHBondContact O-N 3.34Å; Y663-L665 VanDerWaalsContact C-N 3.3Å; Y663-L665 PolarHBondContact O-N 3.27Å; L665-L667 PolarHBondContact O-N 3.21Å; L665-K668 WeakPolarHBondContact O-CA 3.32Å; L665-K668 WeakPolarHBondContact O-CB 3.5Å; L665-K668 PolarHBondContact O-N 2.74Å; L665-D669 PolarHBondContact O-N 2.74Å
666	A	79.7	Confident	76.5	Confident	25 Å²	25	65.8 Å²	65.8	21%	0.207	35%	0.353	C	S	.	.	H	α-helix	trans	-57.4	-36.2	178.4	0	0	0	0	0	113.1	L422 P425 K662 Y663 D669 L670	L422-A666 HydrophobicContact CD2-CB 4.15Å; P425-A666 HydrophobicContact CG-CB 4.39Å; K662-A666 PolarHBondContact O-N 2.92Å; Y663-A666 PolarHBondContact O-N 3.26Å; A666-D669 PolarHBondContact O-N 2.95Å; A666-L670 PolarHBondContact O-N 3.43Å; A666-L670 VanDerWaalsContact O-N 3.1Å
667	L	79	Confident	75	Confident	46 Å²	46	70.5 Å²	70.5	24%	0.241	38%	0.375	C	S	.	.	H	α-helix	trans	-68.2	-36.4	175.1	-172.4	149.2	0	0	0	112.4	P425 Y663 L665 Q671	P425-L667 HydrophobicContact CB-CB 4.46Å; P425-L667 HydrophobicContact CG-CB 4.18Å; Y663-L667 HydrophobicContact CE1-CD1 4.2Å; Y663-L667 HydrophobicContact CE2-CD1 4.3Å; Y663-L667 WeakPolarHBondContact O-CB 3.35Å; Y663-L667 PolarHBondContact O-N 3.12Å; Y663-L667 WeakPolarHBondContact OH-CD1 3.38Å; L665-L667 PolarHBondContact O-N 3.21Å; L667-Q671 HydrophobicContact CD2-CG 4.49Å; L667-Q671 WeakPolarHBondContact O-CG 3.38Å; L667-Q671 PolarHBondContact O-N 3.07Å
668	K	79	Confident	73.3	Confident	124 Å²	124	71.8 Å²	71.8	54%	0.539	38%	0.381	S	S	.	.	H	α-helix	trans	-67.5	-42.5	173	-76.1	172.6	177.9	-176.5	0	111.7	L664 L665 L670 Q671 T672	L664-K668 VanDerWaalsContact O-CG 3.32Å; L664-K668 WeakPolarHBondContact O-CG 3.46Å; L664-K668 PolarHBondContact O-N 2.81Å; L665-K668 WeakPolarHBondContact O-CA 3.32Å; L665-K668 WeakPolarHBondContact O-CB 3.5Å; L665-K668 PolarHBondContact O-N 2.74Å; K668-L670 VanDerWaalsContact C-N 3.27Å; K668-L670 PolarHBondContact O-N 3.43Å; K668-Q671 WeakPolarHBondContact O-CB 3.17Å; K668-Q671 PolarHBondContact O-N 2.82Å; K668-Q671 VanDerWaalsContact O-N 3.08Å; K668-T672 PolarHBondContact O-N 3.01Å; K668-T672 PolarHBondContact O-OG1 3.2Å
669	D	77.9	Confident	71.3	Confident	95 Å²	95	71.3 Å²	71.3	51%	0.508	39%	0.385	S	S	.	.	H	α-helix	trans	-62.5	-36.6	179.4	-60.7	-27	0	0	0	111.2	L665 A666 T672 L673	L665-D669 PolarHBondContact O-N 2.74Å; A666-D669 PolarHBondContact O-N 2.95Å; D669-T672 WeakPolarHBondContact CA-OG1 3.45Å; D669-T672 PolarHBondContact O-OG1 3.33Å; D669-L673 WeakPolarHBondContact O-CB 3.38Å; D669-L673 WeakPolarHBondContact O-CD1 3.46Å; D669-L673 VanDerWaalsContact O-CG 3.32Å; D669-L673 WeakPolarHBondContact O-CG 3.36Å; D669-L673 PolarHBondContact O-N 3.16Å
670	L	72.6	Confident	69.2	Low	53 Å²	53	74.2 Å²	74.2	28%	0.277	41%	0.408	S	S	.	.	H	α-helix	trans	-67.8	-35.2	173.4	-161	68.5	0	0	0	112.7	P425 L426 T429 A666 K668 S674	P425-L670 HydrophobicContact CB-CD2 4.02Å; L426-L670 HydrophobicContact CD2-CD1 3.8Å; L426-L670 HydrophobicContact CD2-CD2 4.25Å; T429-L670 HydrophobicContact CG2-CD2 3.95Å; A666-L670 PolarHBondContact O-N 3.43Å; A666-L670 VanDerWaalsContact O-N 3.1Å; K668-L670 VanDerWaalsContact C-N 3.27Å; K668-L670 PolarHBondContact O-N 3.43Å; L670-S674 PolarHBondContact O-N 3.42Å
671	Q	73.2	Confident	67.2	Low	111 Å²	111	77 Å²	77	52%	0.519	42%	0.422	S	S	.	.	H	α-helix	trans	-71.8	-37.6	175.7	-73.7	176.7	-13.7	0	0	112.9	L667 K668 S675	L667-Q671 HydrophobicContact CD2-CG 4.49Å; L667-Q671 WeakPolarHBondContact O-CG 3.38Å; L667-Q671 PolarHBondContact O-N 3.07Å; K668-Q671 WeakPolarHBondContact O-CB 3.17Å; K668-Q671 PolarHBondContact O-N 2.82Å; K668-Q671 VanDerWaalsContact O-N 3.08Å; Q671-S675 WeakPolarHBondContact O-CB 3.46Å; Q671-S675 PolarHBondContact O-N 3.38Å; Q671-S675 PolarHBondContact O-OG 3.48Å
672	T	72	Confident	65.4	Low	79 Å²	79	77 Å²	77	49%	0.485	43%	0.427	S	S	.	.	H	α-helix	trans	-70.1	-39.1	175.6	54.8	0	0	0	0	111.5	K668 D669 S675 S676	K668-T672 PolarHBondContact O-N 3.01Å; K668-T672 PolarHBondContact O-OG1 3.2Å; D669-T672 WeakPolarHBondContact CA-OG1 3.45Å; D669-T672 PolarHBondContact O-OG1 3.33Å; T672-S675 PolarHBondContact O-N 3.25Å; T672-S676 VanDerWaalsContact O-CB 3.31Å; T672-S676 WeakPolarHBondContact O-CB 3.49Å; T672-S676 PolarHBondContact O-N 3.11Å; T672-S676 PolarHBondContact O-OG 3.41Å
673	L	64.1	Low	63.6	Low	95 Å²	95	78.4 Å²	78.4	50%	0.497	44%	0.44	S	S	.	.	H	α-helix	trans	-55	-52.6	170.2	-79.2	163	0	0	0	111.4	D669 S675 S676 Q677	D669-L673 WeakPolarHBondContact O-CB 3.38Å; D669-L673 WeakPolarHBondContact O-CD1 3.46Å; D669-L673 VanDerWaalsContact O-CG 3.32Å; D669-L673 WeakPolarHBondContact O-CG 3.36Å; D669-L673 PolarHBondContact O-N 3.16Å; L673-S675 VanDerWaalsContact C-N 3.34Å; L673-S675 PolarHBondContact O-N 3.18Å; L673-S676 PolarHBondContact O-N 3.29Å; L673-Q677 PolarHBondContact O-N 2.93Å; L673-Q677 VanDerWaalsContact O-N 3.1Å
674	S	60.2	Low	61.7	Low	52 Å²	52	81.3 Å²	81.3	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-59.5	-41.1	178.6	174.8	0	0	0	0	112.9	L670 I678	L670-S674 PolarHBondContact O-N 3.42Å; S674-I678 WeakPolarHBondContact O-CD1 3.47Å; S674-I678 WeakPolarHBondContact O-CG1 3.31Å; S674-I678 PolarHBondContact O-N 2.91Å
675	S	55.3	Low	59.9	Low	69 Å²	69	84.2 Å²	84.2	48%	0.483	48%	0.478	S	S	.	.	H	α-helix	trans	-69.9	-33.9	178.1	-54.3	0	0	0	0	112.8	Q671 T672 L673 T679	Q671-S675 WeakPolarHBondContact O-CB 3.46Å; Q671-S675 PolarHBondContact O-N 3.38Å; Q671-S675 PolarHBondContact O-OG 3.48Å; T672-S675 PolarHBondContact O-N 3.25Å; L673-S675 VanDerWaalsContact C-N 3.34Å; L673-S675 PolarHBondContact O-N 3.18Å; S675-T679 PolarHBondContact O-N 3Å; S675-T679 PolarHBondContact O-OG1 3.36Å
676	S	56.1	Low	57.8	Low	74 Å²	74	82.7 Å²	82.7	52%	0.517	48%	0.484	S	S	.	.	H	α-helix	trans	-71.1	-40	-178.9	-56.5	0	0	0	0	111.5	T672 L673 T679 A680	T672-S676 VanDerWaalsContact O-CB 3.31Å; T672-S676 WeakPolarHBondContact O-CB 3.49Å; T672-S676 PolarHBondContact O-N 3.11Å; T672-S676 PolarHBondContact O-OG 3.41Å; L673-S676 PolarHBondContact O-N 3.29Å; S676-T679 PolarHBondContact O-N 2.94Å; S676-A680 WeakPolarHBondContact O-CB 3.44Å; S676-A680 PolarHBondContact O-N 3.36Å
677	Q	51.9	Low	56	Low	111 Å²	111	87.5 Å²	87.5	52%	0.519	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-44.6	175.9	-72.7	177.6	-35.5	0	0	112.1	L673 T679 A680 E681	L673-Q677 PolarHBondContact O-N 2.93Å; L673-Q677 VanDerWaalsContact O-N 3.1Å; Q677-T679 VanDerWaalsContact C-N 3.26Å; Q677-T679 PolarHBondContact O-N 3.13Å; Q677-A680 PolarHBondContact O-N 2.94Å; Q677-A680 VanDerWaalsContact O-N 3.13Å; Q677-E681 PolarHBondContact O-N 2.72Å
678	I	45.2	Very low	54.1	Low	102 Å²	102	92.2 Å²	92.2	52%	0.523	53%	0.531	S	S	.	.	H	α-helix	trans	-59.5	-38.5	174.9	-64.3	165.7	0	0	0	111.2	S674 V682	S674-I678 WeakPolarHBondContact O-CD1 3.47Å; S674-I678 WeakPolarHBondContact O-CG1 3.31Å; S674-I678 PolarHBondContact O-N 2.91Å; I678-V682 WeakPolarHBondContact O-CG2 3.33Å; I678-V682 PolarHBondContact O-N 3.06Å
679	T	43.1	Very low	52.2	Low	88 Å²	88	94 Å²	94	54%	0.54	55%	0.547	S	S	.	.	H	α-helix	trans	-71.6	-36	177.8	-47.5	0	0	0	0	111.7	S675 S676 Q677 V683	S675-T679 PolarHBondContact O-N 3Å; S675-T679 PolarHBondContact O-OG1 3.36Å; S676-T679 PolarHBondContact O-N 2.94Å; Q677-T679 VanDerWaalsContact C-N 3.26Å; Q677-T679 PolarHBondContact O-N 3.13Å; T679-V683 WeakPolarHBondContact O-CG2 3.29Å; T679-V683 PolarHBondContact O-N 2.93Å; T679-V683 VanDerWaalsContact O-N 3.17Å
680	A	42.1	Very low	50.4	Low	61 Å²	61	96.7 Å²	96.7	50%	0.504	56%	0.561	S	S	.	*	H	α-helix	trans	-66.6	-42.2	177.2	0	0	0	0	0	112.6	S676 Q677 V683 S684	S676-A680 WeakPolarHBondContact O-CB 3.44Å; S676-A680 PolarHBondContact O-N 3.36Å; Q677-A680 PolarHBondContact O-N 2.94Å; Q677-A680 VanDerWaalsContact O-N 3.13Å; A680-V683 PolarHBondContact O-N 3.48Å; A680-S684 WeakPolarHBondContact O-CB 2.86Å; A680-S684 PolarHBondContact O-N 3.37Å; A680-S684 PolarHBondContact O-OG 3.42Å
681	E	41.9	Very low	48.9	Very low	87 Å²	87	101 Å²	101	41%	0.407	58%	0.584	S	S	.	*	H	α-helix	trans	-66.4	-34.7	177	-72.9	-176.5	148.4	0	0	113.1	Q677 S684 N685 Q729	Q677-E681 PolarHBondContact O-N 2.72Å; E681-S684 PolarHBondContact O-OG 2.9Å; E681-N685 WeakPolarHBondContact O-CB 3.07Å; E681-N685 PolarHBondContact O-N 3.39Å; E681-N685 PolarHBondContact O-ND2 2.8Å; E681-Q729 VanDerWaalsContact CD-NE2 3.26Å; E681-Q729 PolarHBondContact OE1-NE2 2.92Å; E681-Q729 PolarHBondContact OE2-NE2 3.01Å
682	V	45.7	Very low	47.3	Very low	106 Å²	106	103.4 Å²	103.4	64%	0.642	60%	0.601	S	S	*	*	H	α-helix	trans	-71.2	-33.3	176.1	172.4	0	0	0	0	111.7	I678 G686	I678-V682 WeakPolarHBondContact O-CG2 3.33Å; I678-V682 PolarHBondContact O-N 3.06Å; V682-G686 PolarHBondContact O-N 2.67Å
683	V	47.3	Very low	45.6	Very low	86 Å²	86	103.7 Å²	103.7	52%	0.521	62%	0.619	S	S	.	*	H	α-helix	trans	-80.5	-36.3	177.6	175.1	0	0	0	0	112	T679 A680 I687	T679-V683 WeakPolarHBondContact O-CG2 3.29Å; T679-V683 PolarHBondContact O-N 2.93Å; T679-V683 VanDerWaalsContact O-N 3.17Å; A680-V683 PolarHBondContact O-N 3.48Å; V683-I687 HydrophobicContact CG1-CD1 4.35Å; V683-I687 WeakPolarHBondContact O-CD1 3.26Å; V683-I687 WeakPolarHBondContact O-CG1 3.28Å
684	S	44.7	Very low	44.3	Very low	75 Å²	75	104.6 Å²	104.6	52%	0.524	63%	0.633	S	S	.	*	H	α-helix	trans	-71.5	-39	179	63.6	0	0	0	0	112.9	A680 E681 G686	A680-S684 WeakPolarHBondContact O-CB 2.86Å; A680-S684 PolarHBondContact O-N 3.37Å; A680-S684 PolarHBondContact O-OG 3.42Å; E681-S684 PolarHBondContact O-OG 2.9Å; S684-G686 VanDerWaalsContact C-N 3.33Å
685	N	42.9	Very low	43.4	Very low	136 Å²	136	108.7 Å²	108.7	73%	0.727	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-10.7	177.6	-70	-39.5	0	0	0	113.8	E681	E681-N685 WeakPolarHBondContact O-CB 3.07Å; E681-N685 PolarHBondContact O-N 3.39Å; E681-N685 PolarHBondContact O-ND2 2.8Å
686	G	39.1	Very low	42.6	Very low	61 Å²	61	112.4 Å²	112.4	63%	0.629	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-8.7	-177.5	0	0	0	0	0	116.3	V682 S684	V682-G686 PolarHBondContact O-N 2.67Å; S684-G686 VanDerWaalsContact C-N 3.33Å
687	I	42.2	Very low	41.9	Very low	126 Å²	126	112.9 Å²	112.9	65%	0.646	67%	0.667	S	S	*	*	S	Bend	trans	-100.5	-14.6	-166.6	-67.1	173	0	0	0	113.5	V683	V683-I687 HydrophobicContact CG1-CD1 4.35Å; V683-I687 WeakPolarHBondContact O-CD1 3.26Å; V683-I687 WeakPolarHBondContact O-CG1 3.28Å
688	N	39.4	Very low	41.3	Very low	146 Å²	146	115.3 Å²	115.3	78%	0.781	68%	0.684	S	S	*	*			trans	-105.8	68	-179.3	-78.5	-19.1	0	0	0	113.2
689	N	39.3	Very low	40.8	Very low	162 Å²	162	114.2 Å²	114.2	87%	0.866	70%	0.697	S	S	*	*			trans	-156.7	64.1	157.8	-110.1	-19.6	0	0	0	112.8	N691	N689-N691 PolarHBondContact O-N 2.86Å
690	N	39.6	Very low	40.5	Very low	150 Å²	150	116.8 Å²	116.8	80%	0.802	71%	0.713	S	S	*	*			trans	-75.9	110.7	158.8	-86.4	-24.5	0	0	0	109.1
691	N	41.5	Very low	40.3	Very low	143 Å²	143	119.4 Å²	119.4	77%	0.765	73%	0.728	S	S	*	*			trans	178.6	125.1	130.3	-89.1	-27	0	0	0	113.1	N689	N689-N691 PolarHBondContact O-N 2.86Å
692	N	39.9	Very low	40.3	Very low	163 Å²	163	123.1 Å²	123.1	87%	0.872	75%	0.751	S	S	*	*			trans	52.9	102.4	148.4	-59.2	-19.1	0	0	0	119.9
693	G	36	Very low	40	Very low	84 Å²	84	123.9 Å²	123.9	87%	0.866	76%	0.761	S	S	*	*			trans	-168.3	78.4	166.5	0	0	0	0	0	112.1
694	S	37.7	Very low	39.7	Very low	114 Å²	114	128.2 Å²	128.2	80%	0.797	77%	0.773	S	S	*	*			trans	-78.8	169	-177.7	-172.5	0	0	0	0	113.2
695	I	39.7	Very low	39.4	Very low	139 Å²	139	131.6 Å²	131.6	71%	0.713	79%	0.785	S	S	*	*			trans	104.3	101.6	158.2	-56.7	174.7	0	0	0	116.9
696	N	40	Very low	39	Very low	146 Å²	146	132 Å²	132	78%	0.781	79%	0.787	S	S	*	*			trans	49.6	152.9	134	-59.4	-9.7	0	0	0	121.8
697	S	39.8	Very low	38.8	Very low	84 Å²	84	135 Å²	135	59%	0.587	79%	0.793	S	S	*	*			cis	168.7	148.6	-33.6	52.2	0	0	0	0	107
698	N	39.2	Very low	38.2	Very low	163 Å²	163	135.4 Å²	135.4	87%	0.872	80%	0.797	S	S	*	*			trans	68.3	129.1	165.4	-57.8	-18.7	0	0	0	119.8
699	G	36	Very low	38	Very low	78 Å²	78	134.5 Å²	134.5	80%	0.804	80%	0.796	S	S	*	*			trans	176.9	49.7	177.4	0	0	0	0	0	114.8
700	T	35.6	Very low	37.9	Very low	142 Å²	142	133.3 Å²	133.3	87%	0.871	79%	0.79	S	S	*	*			trans	-87.4	122.7	-174.5	-27	0	0	0	0	112.5
701	S	39.8	Very low	37.7	Very low	117 Å²	117	132.9 Å²	132.9	82%	0.818	79%	0.788	S	S	*	*			trans	-163.8	141.1	150.8	49.5	0	0	0	0	113.9
702	N	40.1	Very low	37.5	Very low	164 Å²	164	136.3 Å²	136.3	88%	0.877	80%	0.796	S	S	*	*			trans	-74.6	152.5	-174.9	-63.6	-62.2	0	0	0	113.8
703	S	40.1	Very low	37.2	Very low	123 Å²	123	137.4 Å²	137.4	86%	0.86	80%	0.795	S	S	*	*			trans	-141.9	131.2	139.4	-168.1	0	0	0	0	111.4
704	K	40.3	Very low	37.2	Very low	176 Å²	176	136.3 Å²	136.3	77%	0.765	77%	0.774	S	S	*	*			trans	-87.6	148.3	173	-65.9	169.2	173.5	171.6	0	109
705	N	38.3	Very low	36.9	Very low	147 Å²	147	137.6 Å²	137.6	79%	0.786	77%	0.771	S	S	*	*				168.4	153.6	114.3	-83.6	-24.5	0	0	0	114.5
706	N	36	Very low	36.5	Very low	145 Å²	145	139.1 Å²	139.1	78%	0.775	78%	0.779	S	S	*	*			trans	61.7	94.3	156.4	-76.4	-8.3	0	0	0	121.7
707	V	34.5	Very low	36.3	Very low	124 Å²	124	140.4 Å²	140.4	75%	0.752	78%	0.781	S	S	*	*				35.7	109.5	107.1	-174.4	0	0	0	0	117.2
708	N	30.2	Very low	35.9	Very low	134 Å²	134	145.2 Å²	145.2	72%	0.717	79%	0.791	S	S	*	*				-150.7	108.5	126.1	-157.9	-14.6	0	0	0	111.6	N710	N708-N710 PolarHBondContact O-N 2.84Å
709	T	35.2	Very low	35.5	Very low	127 Å²	127	144 Å²	144	78%	0.779	78%	0.783	S	S	*	*			trans	-87.8	84.3	179.6	47.1	0	0	0	0	111.3
710	N	36	Very low	35.2	Very low	137 Å²	137	149.3 Å²	149.3	73%	0.733	79%	0.787	S	S	*	*			trans	-143.5	0.2	173.2	-92.7	-40.1	0	0	0	116.3	N708 K712	N708-N710 PolarHBondContact O-N 2.84Å; N710-K712 PolarHBondContact O-N 2.96Å
711	N	35.7	Very low	35.3	Very low	141 Å²	141	146.1 Å²	146.1	75%	0.754	77%	0.767	S	S	*	*			trans	-97.8	36.1	-170.5	-86.5	-7.3	0	0	0	116.5	H713	N711-H713 VanDerWaalsContact C-N 3.34Å; N711-H713 PolarHBondContact O-N 3.47Å
712	K	38.1	Very low	35	Very low	214 Å²	214	145.8 Å²	145.8	93%	0.93	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	4.4	176.8	-85.4	-170.1	174.9	-178.2	0	115.8	N710	N710-K712 PolarHBondContact O-N 2.96Å
713	H	33.2	Very low	34.9	Very low	186 Å²	186	144.8 Å²	144.8	86%	0.861	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	4.6	-176.2	-124.4	-67	0	0	0	116.3	N711	N711-H713 VanDerWaalsContact C-N 3.34Å; N711-H713 PolarHBondContact O-N 3.47Å
714	S	35.8	Very low	34.8	Very low	61 Å²	61	145.4 Å²	145.4	43%	0.427	73%	0.731	S	S	.	*	S	Bend	trans	-102.9	-17.6	-171.4	-177.5	0	0	0	0	115.8	L716 Q717	S714-L716 PolarHBondContact O-N 2.89Å; S714-Q717 PolarHBondContact O-N 2.82Å
715	I	31.9	Very low	35	Very low	142 Å²	142	138.9 Å²	138.9	73%	0.728	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-73.4	-23.5	-166.9	-70.6	173.6	0	0	0	113.8	Q717	I715-Q717 VanDerWaalsContact C-N 3.26Å; I715-Q717 PolarHBondContact O-N 3.37Å
716	L	31.6	Very low	35.1	Very low	170 Å²	170	135.5 Å²	135.5	89%	0.89	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-78.1	-3.6	176.1	-75.4	171.4	0	0	0	114.4	S714	S714-L716 PolarHBondContact O-N 2.89Å
717	Q	35.6	Very low	35.2	Very low	174 Å²	174	132.7 Å²	132.7	81%	0.813	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-108.6	9.7	-173.5	-147	175	11.9	0	0	113.8	S714 I715	S714-Q717 PolarHBondContact O-N 2.82Å; I715-Q717 VanDerWaalsContact C-N 3.26Å; I715-Q717 PolarHBondContact O-N 3.37Å
718	K	32	Very low	35.4	Very low	184 Å²	184	130.7 Å²	130.7	80%	0.8	66%	0.656	S	S	*	*			trans	-135.5	8.2	-173.5	-116.2	-176.2	-178.1	-175.6	0	117.2	Q720	K718-Q720 VanDerWaalsContact C-N 3.27Å; K718-Q720 PolarHBondContact O-N 3.12Å
719	I	29.9	Very low	35.8	Very low	137 Å²	137	127.6 Å²	127.6	70%	0.703	64%	0.637	S	S	*	*			trans	-79.6	87	162.8	-47.8	-177.7	0	0	0	107.3	V721	I719-V721 HydrophobicContact CB-CG2 4.34Å; I719-V721 HydrophobicContact CG2-CG2 3.54Å; I719-V721 PolarHBondContact O-N 2.83Å
720	Q	29	Very low	35.9	Very low	190 Å²	190	125.1 Å²	125.1	89%	0.888	62%	0.619	S	S	*	*			trans	-70.3	76.6	164.8	-174	174.2	-7.8	0	0	107.4	K718 N722	K718-Q720 VanDerWaalsContact C-N 3.27Å; K718-Q720 PolarHBondContact O-N 3.12Å; Q720-N722 PolarHBondContact O-N 3.46Å; Q720-N722 VanDerWaalsContact O-N 3.09Å
721	V	37.6	Very low	36.1	Very low	75 Å²	75	123.1 Å²	123.1	46%	0.455	60%	0.604	S	S	.	*			trans	-56.9	117.3	177.9	179.5	0	0	0	0	107.5	I719 K723 I726	I719-V721 HydrophobicContact CB-CG2 4.34Å; I719-V721 HydrophobicContact CG2-CG2 3.54Å; I719-V721 PolarHBondContact O-N 2.83Å; V721-K723 PolarHBondContact O-N 3.23Å; V721-I726 HydrophobicContact CG1-CD1 3.4Å; V721-I726 HydrophobicContact CG1-CG1 4.02Å
722	N	33.3	Very low	36.2	Very low	110 Å²	110	123.3 Å²	123.3	59%	0.588	61%	0.605	S	S	*	*			trans	-67.3	96.4	178.3	-171.7	-0.4	0	0	0	108.1	Q720 K724 S725	Q720-N722 PolarHBondContact O-N 3.46Å; Q720-N722 VanDerWaalsContact O-N 3.09Å; N722-K724 PolarHBondContact O-N 3.42Å; N722-S725 PolarHBondContact O-N 3.26Å
723	K	39.3	Very low	35.9	Very low	143 Å²	143	116.7 Å²	116.7	62%	0.622	59%	0.585	S	S	*	*	H	α-helix	trans	-53.4	-26.5	-170.3	-71.1	-176	175	-177.6	0	113.4	V721	V721-K723 PolarHBondContact O-N 3.23Å
724	K	38.2	Very low	35.9	Very low	136 Å²	136	111 Å²	111	59%	0.591	57%	0.571	S	S	*	*	H	α-helix	trans	-70.1	-46.4	176.6	-133	-175.5	-179.3	-115.9	0	112.4	N722 I726 L727 E728	N722-K724 PolarHBondContact O-N 3.42Å; K724-I726 PolarHBondContact O-N 2.88Å; K724-L727 PolarHBondContact O-N 3.49Å; K724-E728 WeakPolarHBondContact CE-OE1 3.46Å; K724-E728 IonicContact NZ-OE1 2.7Å; K724-E728 PolarHBondContact NZ-OE1 3.26Å; K724-E728 WeakPolarHBondContact O-CB 3.39Å; K724-E728 WeakPolarHBondContact O-CG 3.27Å; K724-E728 PolarHBondContact O-N 2.99Å
725	S	44.8	Very low	35.9	Very low	40 Å²	40	113.5 Å²	113.5	28%	0.28	58%	0.578	S	S	.	*	H	α-helix	trans	-70.1	-35.1	-170.8	96.5	0	0	0	0	113.5	N722 E728 Q729	N722-S725 PolarHBondContact O-N 3.26Å; S725-E728 PolarHBondContact O-N 3.45Å; S725-Q729 WeakPolarHBondContact O-CB 3.43Å; S725-Q729 WeakPolarHBondContact O-CG 3.33Å; S725-Q729 PolarHBondContact O-N 3.39Å; S725-Q729 PolarHBondContact O-OE1 3.45Å; S725-Q729 PolarHBondContact OG-OE1 3.35Å
726	I	39.6	Very low	36.1	Very low	75 Å²	75	112 Å²	112	39%	0.385	57%	0.57	S	S	.	*	H	α-helix	trans	-69.4	-37.2	178.6	-66.5	-168.3	0	0	0	111.3	V721 K724 L730	V721-I726 HydrophobicContact CG1-CD1 3.4Å; V721-I726 HydrophobicContact CG1-CG1 4.02Å; K724-I726 PolarHBondContact O-N 2.88Å; I726-L730 HydrophobicContact CG2-CD1 3.93Å; I726-L730 VanDerWaalsContact O-CB 3.25Å; I726-L730 WeakPolarHBondContact O-CB 3.13Å; I726-L730 WeakPolarHBondContact O-CD1 3.28Å; I726-L730 WeakPolarHBondContact O-CG 3.35Å; I726-L730 PolarHBondContact O-N 3.03Å; I726-L730 VanDerWaalsContact O-N 3.09Å
727	L	37	Very low	36.4	Very low	86 Å²	86	108.8 Å²	108.8	45%	0.45	55%	0.552	S	S	.	*	H	α-helix	trans	-67.9	-51.9	172.1	-87.6	158.3	0	0	0	110.3	K724 Q729 L730 F731	K724-L727 PolarHBondContact O-N 3.49Å; L727-Q729 PolarHBondContact O-N 2.97Å; L727-L730 CarbonylContact O-C 3.48Å; L727-L730 WeakPolarHBondContact O-CA 3.34Å; L727-L730 PolarHBondContact O-N 2.9Å; L727-L730 VanDerWaalsContact O-N 3.07Å; L727-F731 HydrophobicContact CD2-CE2 4.09Å; L727-F731 WeakPolarHBondContact O-CD2 3.46Å; L727-F731 PolarHBondContact O-N 2.99Å
728	E	39.7	Very low	36.4	Very low	83 Å²	83	104.9 Å²	104.9	39%	0.388	54%	0.537	S	S	.	.	H	α-helix	trans	-56.9	-44.6	178.4	-72.6	168.9	157	0	0	112.2	K724 S725 L730 F731 D732	K724-E728 WeakPolarHBondContact CE-OE1 3.46Å; K724-E728 IonicContact NZ-OE1 2.7Å; K724-E728 PolarHBondContact NZ-OE1 3.26Å; K724-E728 WeakPolarHBondContact O-CB 3.39Å; K724-E728 WeakPolarHBondContact O-CG 3.27Å; K724-E728 PolarHBondContact O-N 2.99Å; S725-E728 PolarHBondContact O-N 3.45Å; E728-L730 VanDerWaalsContact C-N 3.34Å; E728-L730 PolarHBondContact O-N 3.09Å; E728-F731 CarbonylContact O-C 3.58Å; E728-F731 WeakPolarHBondContact O-CA 3.19Å; E728-F731 WeakPolarHBondContact O-CB 3.07Å; E728-F731 PolarHBondContact O-N 2.71Å; E728-D732 PolarHBondContact O-N 3.4Å
729	Q	38.7	Very low	36.7	Very low	69 Å²	69	100 Å²	100	32%	0.322	52%	0.521	S	S	.	.	H	α-helix	trans	-66.9	-31.1	175.6	-71.7	170.2	-58.4	0	0	113	E681 S725 L727 S733	E681-Q729 VanDerWaalsContact CD-NE2 3.26Å; E681-Q729 PolarHBondContact OE1-NE2 2.92Å; E681-Q729 PolarHBondContact OE2-NE2 3.01Å; S725-Q729 WeakPolarHBondContact O-CB 3.43Å; S725-Q729 WeakPolarHBondContact O-CG 3.33Å; S725-Q729 PolarHBondContact O-N 3.39Å; S725-Q729 PolarHBondContact O-OE1 3.45Å; S725-Q729 PolarHBondContact OG-OE1 3.35Å; L727-Q729 PolarHBondContact O-N 2.97Å; Q729-S733 VanDerWaalsContact O-CB 3.3Å; Q729-S733 WeakPolarHBondContact O-CB 3.45Å; Q729-S733 PolarHBondContact O-N 3.49Å; Q729-S733 VanDerWaalsContact O-N 3.16Å; Q729-S733 PolarHBondContact O-OG 3.33Å
730	L	36.9	Very low	37.1	Very low	75 Å²	75	97.5 Å²	97.5	39%	0.393	51%	0.508	S	S	.	.	H	α-helix	trans	-76.9	-20	170.9	-82.4	165.1	0	0	0	113.2	L3 I726 L727 E728 A734	L3-L730 HydrophobicContact CD1-CD1 4.01Å; L3-L730 HydrophobicContact CD1-CD2 4.04Å; I726-L730 HydrophobicContact CG2-CD1 3.93Å; I726-L730 VanDerWaalsContact O-CB 3.25Å; I726-L730 WeakPolarHBondContact O-CB 3.13Å; I726-L730 WeakPolarHBondContact O-CD1 3.28Å; I726-L730 WeakPolarHBondContact O-CG 3.35Å; I726-L730 PolarHBondContact O-N 3.03Å; I726-L730 VanDerWaalsContact O-N 3.09Å; L727-L730 CarbonylContact O-C 3.48Å; L727-L730 WeakPolarHBondContact O-CA 3.34Å; L727-L730 PolarHBondContact O-N 2.9Å; L727-L730 VanDerWaalsContact O-N 3.07Å; E728-L730 VanDerWaalsContact C-N 3.34Å; E728-L730 PolarHBondContact O-N 3.09Å; L730-A734 WeakPolarHBondContact O-CB 3.49Å
731	F	40.1	Very low	37.7	Very low	94 Å²	94	90.9 Å²	90.9	41%	0.412	48%	0.481	S	S	.	.	H	α-helix	trans	-81.2	-47	170.6	-85.5	-76.2	0	0	0	111	L4 A7 L727 E728 S733 A734	L4-F731 HydrophobicContact CD2-CD1 3.34Å; L4-F731 HydrophobicContact CD2-CE1 3.38Å; L4-F731 HydrophobicContact CD2-CG 4.42Å; L4-F731 HydrophobicContact CD2-CZ 4.47Å; A7-F731 HydrophobicContact CB-CE1 4.5Å; A7-F731 HydrophobicContact CB-CE2 4.16Å; A7-F731 HydrophobicContact CB-CZ 3.57Å; L727-F731 HydrophobicContact CD2-CE2 4.09Å; L727-F731 WeakPolarHBondContact O-CD2 3.46Å; L727-F731 PolarHBondContact O-N 2.99Å; E728-F731 CarbonylContact O-C 3.58Å; E728-F731 WeakPolarHBondContact O-CA 3.19Å; E728-F731 WeakPolarHBondContact O-CB 3.07Å; E728-F731 PolarHBondContact O-N 2.71Å; F731-S733 VanDerWaalsContact C-N 3.28Å; F731-S733 PolarHBondContact O-N 2.98Å; F731-A734 PolarHBondContact O-N 3.01Å
732	D	37.2	Very low	37.7	Very low	146 Å²	146	92.2 Å²	92.2	78%	0.781	48%	0.483	S	S	*	.	H	α-helix	trans	-68.5	-23.3	179.4	-76.5	-21.7	0	0	0	113.5	E728	E728-D732 PolarHBondContact O-N 3.4Å
733	S	32.6	Very low	38.1	Very low	74 Å²	74	90.7 Å²	90.7	52%	0.517	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-14.5	171.6	-57.3	0	0	0	0	113.6	K137 Q729 F731	K137-S733 PolarHBondContact NZ-O 3.39Å; Q729-S733 VanDerWaalsContact O-CB 3.3Å; Q729-S733 WeakPolarHBondContact O-CB 3.45Å; Q729-S733 PolarHBondContact O-N 3.49Å; Q729-S733 VanDerWaalsContact O-N 3.16Å; Q729-S733 PolarHBondContact O-OG 3.33Å; F731-S733 VanDerWaalsContact C-N 3.28Å; F731-S733 PolarHBondContact O-N 2.98Å
734	A	33.1	Very low	38	Very low	67 Å²	67	85.9 Å²	85.9	55%	0.554	46%	0.461	S	S	*	.			trans	-95.5	0	-168.4	0	0	0	0	0	115.4	L4 K137 L730 F731	L4-A734 HydrophobicContact CD1-CB 3.79Å; L4-A734 HydrophobicContact CD2-CB 4.18Å; L4-A734 HydrophobicContact CG-CB 3.97Å; K137-A734 PolarHBondContact NZ-O 3.27Å; K137-A734 PolarHBondContact NZ-OXT 2.96Å; L730-A734 WeakPolarHBondContact O-CB 3.49Å; F731-A734 PolarHBondContact O-N 3.01Å

Retrieved 734 of 734 residues in 137.2 ms (Link to these results)

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