A0A3Q0KH96_SCHMA Loading...

Vesicle transport through interaction with t-SNAREs homolog 1A

AlphaFold DB , UniProt , Accession A0A3Q0KH96, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 240 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	47.7	Very low	78.3	Confident	208 Å²	208	78.3 Å²	78.3	100%	1.025	39%	0.394	S	S	*	.				0	128.2	0	-79.6	176.7	169.9	0	0	107
2	S	72.6	Confident	79	Confident	71 Å²	71	74.2 Å²	74.2	50%	0.497	39%	0.386	S	S	.	.			trans	-66.9	146.2	178.2	65.9	0	0	0	0	109.5	F4 E5 S6	S2-F4 PolarHBondContact O-N 3.49Å; S2-F4 VanDerWaalsContact O-N 3.16Å; S2-E5 WeakPolarHBondContact O-CB 3.33Å; S2-E5 PolarHBondContact O-N 3.22Å; S2-E5 WeakPolarHBondContact OG-CB 3.31Å; S2-E5 PolarHBondContact OG-N 2.99Å; S2-S6 PolarHBondContact O-N 3.22Å
3	L	77.1	Confident	79.8	Confident	89 Å²	89	75.5 Å²	75.5	47%	0.466	39%	0.394	S	S	.	.	H	α-helix	trans	-53.7	-36.9	179.5	-176.5	65	0	0	0	111.4	E5 S6 Y7 E57	L3-E5 PolarHBondContact O-N 3.31Å; L3-S6 VanDerWaalsContact O-CB 3.31Å; L3-S6 WeakPolarHBondContact O-CB 3.47Å; L3-S6 PolarHBondContact O-N 3.39Å; L3-Y7 HydrophobicContact CD1-CE2 4.08Å; L3-Y7 HydrophobicContact CD2-CE2 3.91Å; L3-Y7 HydrophobicContact CG-CD2 4.1Å; L3-Y7 HydrophobicContact CG-CE2 3.54Å; L3-Y7 VanDerWaalsContact O-CD2 3.31Å; L3-Y7 WeakPolarHBondContact O-CD2 3.3Å; L3-Y7 PolarHBondContact O-N 3.44Å; L3-Y7 VanDerWaalsContact O-N 3.11Å; L3-E57 HydrophobicContact CD2-CG 4.31Å
4	F	74	Confident	80.5	Confident	9 Å²	9	71.3 Å²	71.3	4%	0.039	37%	0.372	C	S	.	.	H	α-helix	trans	-63.2	-38.1	176.3	-161.7	-86.8	0	0	0	114	S2 S6 Y7 E8 M54 V58 M61 F69	S2-F4 PolarHBondContact O-N 3.49Å; S2-F4 VanDerWaalsContact O-N 3.16Å; F4-S6 VanDerWaalsContact C-N 3.27Å; F4-S6 PolarHBondContact O-N 3.47Å; F4-Y7 PolarHBondContact O-N 3.26Å; F4-E8 WeakPolarHBondContact O-CB 3.42Å; F4-E8 PolarHBondContact O-N 3.27Å; F4-M54 HydrophobicContact CE1-CE 4.36Å; F4-M54 HydrophobicContact CE2-CE 3.81Å; F4-M54 HydrophobicContact CZ-CE 3.56Å; F4-V58 HydrophobicContact CD2-CG2 4.23Å; F4-V58 HydrophobicContact CE2-CG2 3.62Å; F4-M61 HydrophobicContact CB-CE 4.34Å; F4-M61 HydrophobicContact CD2-CE 3.92Å; F4-M61 HydrophobicContact CG-CE 4.49Å; F4-F69 AromaticContact CD1-CD1 3.79Å; F4-F69 HydrophobicContact CD1-CD1 3.79Å; F4-F69 AromaticContact CD1-CE1 3.34Å; F4-F69 HydrophobicContact CD1-CE1 3.34Å; F4-F69 HydrophobicContact CD1-CZ 4.2Å; F4-F69 HydrophobicContact CD2-CD1 4.1Å; F4-F69 HydrophobicContact CD2-CE1 4.2Å; F4-F69 AromaticContact CE1-CD1 3.34Å; F4-F69 HydrophobicContact CE1-CD1 3.34Å; F4-F69 AromaticContact CE1-CE1 3.34Å; F4-F69 HydrophobicContact CE1-CE1 3.34Å; F4-F69 HydrophobicContact CE2-CB 4.38Å; F4-F69 AromaticContact CE2-CD1 3.67Å; F4-F69 HydrophobicContact CE2-CD1 3.67Å; F4-F69 HydrophobicContact CE2-CE1 4.19Å; F4-F69 HydrophobicContact CE2-CG 4.19Å; F4-F69 HydrophobicContact CG-CD1 4.14Å; F4-F69 AromaticContact CG-CE1 3.8Å; F4-F69 HydrophobicContact CG-CE1 3.8Å; F4-F69 HydrophobicContact CG-CZ 4.35Å; F4-F69 HydrophobicContact CZ-CB 4.4Å; F4-F69 AromaticContact CZ-CD1 3.27Å; F4-F69 HydrophobicContact CZ-CD1 3.27Å; F4-F69 AromaticContact CZ-CE1 3.78Å; F4-F69 HydrophobicContact CZ-CE1 3.78Å; F4-F69 HydrophobicContact CZ-CG 4.15Å
5	E	79.1	Confident	80.8	Confident	99 Å²	99	67.7 Å²	67.7	46%	0.463	35%	0.354	S	S	.	.	H	α-helix	trans	-66.9	-32.3	177	-170	177.6	-167.4	0	0	111.5	S2 L3 K9	S2-E5 WeakPolarHBondContact O-CB 3.33Å; S2-E5 PolarHBondContact O-N 3.22Å; S2-E5 WeakPolarHBondContact OG-CB 3.31Å; S2-E5 PolarHBondContact OG-N 2.99Å; L3-E5 PolarHBondContact O-N 3.31Å; E5-K9 WeakPolarHBondContact O-CB 3.48Å; E5-K9 PolarHBondContact O-N 3.48Å
6	S	83	Confident	81.1	Confident	54 Å²	54	67.9 Å²	67.9	38%	0.378	36%	0.364	S	S	.	.	H	α-helix	trans	-65.3	-45.6	171	-174.1	0	0	0	0	111.4	S2 L3 F4 E8 K9 Q10	S2-S6 PolarHBondContact O-N 3.22Å; L3-S6 VanDerWaalsContact O-CB 3.31Å; L3-S6 WeakPolarHBondContact O-CB 3.47Å; L3-S6 PolarHBondContact O-N 3.39Å; F4-S6 VanDerWaalsContact C-N 3.27Å; F4-S6 PolarHBondContact O-N 3.47Å; S6-E8 VanDerWaalsContact C-N 3.34Å; S6-E8 PolarHBondContact O-N 2.9Å; S6-K9 PolarHBondContact O-N 3.24Å; S6-Q10 WeakPolarHBondContact O-CG 3.23Å; S6-Q10 PolarHBondContact O-N 3.46Å; S6-Q10 PolarHBondContact OG-NE2 3.32Å
7	Y	83.8	Confident	81.5	Confident	34 Å²	34	68.8 Å²	68.8	13%	0.133	37%	0.368	C	S	.	.	H	α-helix	trans	-62.7	-40.7	176.3	-72.2	-52.8	0	0	0	112.5	L3 F4 K9 Q10 Y11 L50 Q53 M54 E57	L3-Y7 HydrophobicContact CD1-CE2 4.08Å; L3-Y7 HydrophobicContact CD2-CE2 3.91Å; L3-Y7 HydrophobicContact CG-CD2 4.1Å; L3-Y7 HydrophobicContact CG-CE2 3.54Å; L3-Y7 VanDerWaalsContact O-CD2 3.31Å; L3-Y7 WeakPolarHBondContact O-CD2 3.3Å; L3-Y7 PolarHBondContact O-N 3.44Å; L3-Y7 VanDerWaalsContact O-N 3.11Å; F4-Y7 PolarHBondContact O-N 3.26Å; Y7-K9 VanDerWaalsContact C-N 3.31Å; Y7-K9 PolarHBondContact O-N 3.38Å; Y7-Q10 PolarHBondContact O-N 3.21Å; Y7-Y11 WeakPolarHBondContact O-CB 3.45Å; Y7-Y11 PolarHBondContact O-N 3.42Å; Y7-L50 HydrophobicContact CD1-CD1 3.54Å; Y7-L50 HydrophobicContact CE1-CD1 4.11Å; Y7-Q53 HydrophobicContact CE1-CB 4.4Å; Y7-M54 HydrophobicContact CD1-CG 4.34Å; Y7-M54 HydrophobicContact CD2-CG 4.2Å; Y7-M54 HydrophobicContact CG-CG 3.84Å; Y7-E57 HydrophobicContact CE2-CG 4.48Å
8	E	83	Confident	81.7	Confident	60 Å²	60	65 Å²	65	28%	0.28	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-39.7	177.6	-167.1	177.7	142.8	0	0	111.9	F4 S6 Y11 G12 R72	F4-E8 WeakPolarHBondContact O-CB 3.42Å; F4-E8 PolarHBondContact O-N 3.27Å; S6-E8 VanDerWaalsContact C-N 3.34Å; S6-E8 PolarHBondContact O-N 2.9Å; E8-Y11 PolarHBondContact O-N 3.11Å; E8-G12 PolarHBondContact O-N 2.97Å; E8-R72 VanDerWaalsContact CD-NH1 3.28Å; E8-R72 IonicContact OE1-CZ 2.64Å; E8-R72 IonicContact OE1-NH1 3.56Å; E8-R72 PolarHBondContact OE1-NH1 3.32Å; E8-R72 IonicContact OE1-NH2 3.84Å; E8-R72 PolarHBondContact OE1-NH2 3.47Å; E8-R72 IonicContact OE2-CZ 3.27Å; E8-R72 IonicContact OE2-NH1 3.63Å; E8-R72 PolarHBondContact OE2-NH1 3.44Å; E8-R72 IonicContact OE2-NH2 2.85Å; E8-R72 PolarHBondContact OE2-NH2 2.88Å
9	K	87	Confident	81.8	Confident	143 Å²	143	65.6 Å²	65.6	62%	0.622	35%	0.354	S	S	*	.	H	α-helix	trans	-66	-42.1	174.2	-170.1	-179.6	-179.3	-175.7	0	111.9	E5 S6 Y7 G12 N13	E5-K9 WeakPolarHBondContact O-CB 3.48Å; E5-K9 PolarHBondContact O-N 3.48Å; S6-K9 PolarHBondContact O-N 3.24Å; Y7-K9 VanDerWaalsContact C-N 3.31Å; Y7-K9 PolarHBondContact O-N 3.38Å; K9-G12 PolarHBondContact O-N 3.12Å; K9-N13 VanDerWaalsContact O-CG 3.24Å; K9-N13 PolarHBondContact O-N 3.34Å
10	Q	86.7	Confident	81.9	Confident	85 Å²	85	69.8 Å²	69.8	40%	0.397	37%	0.369	S	S	.	.	H	α-helix	trans	-61.7	-44.3	175.3	-73.4	174.5	62.7	0	0	111.2	S6 Y7 G12 N13 L14 L50	S6-Q10 WeakPolarHBondContact O-CG 3.23Å; S6-Q10 PolarHBondContact O-N 3.46Å; S6-Q10 PolarHBondContact OG-NE2 3.32Å; Y7-Q10 PolarHBondContact O-N 3.21Å; Q10-G12 PolarHBondContact O-N 2.77Å; Q10-N13 PolarHBondContact O-N 2.98Å; Q10-L14 WeakPolarHBondContact O-CG 3.41Å; Q10-L14 PolarHBondContact O-N 3.49Å; Q10-L50 HydrophobicContact CB-CD1 4.15Å; Q10-L50 HydrophobicContact CB-CD2 3.8Å
11	Y	87.3	Confident	81.8	Confident	9 Å²	9	68.5 Å²	68.5	4%	0.035	36%	0.361	C	S	.	.	H	α-helix	trans	-61.6	-44.2	177.4	-179.7	-95	0	0	0	111.8	Y7 E8 N13 L14 T15 T47 L50 I51 Y76	Y7-Y11 WeakPolarHBondContact O-CB 3.45Å; Y7-Y11 PolarHBondContact O-N 3.42Å; E8-Y11 PolarHBondContact O-N 3.11Å; Y11-N13 VanDerWaalsContact C-N 3.33Å; Y11-N13 PolarHBondContact O-N 3.33Å; Y11-L14 PolarHBondContact O-N 3.02Å; Y11-T15 WeakPolarHBondContact CE1-OG1 3.37Å; Y11-T15 WeakPolarHBondContact O-CB 3.23Å; Y11-T15 PolarHBondContact O-N 3.47Å; Y11-T15 PolarHBondContact O-OG1 2.9Å; Y11-T47 HydrophobicContact CD2-CG2 3.82Å; Y11-T47 HydrophobicContact CE2-CG2 3.66Å; Y11-L50 HydrophobicContact CD2-CD2 4.48Å; Y11-L50 VanDerWaalsContact N-CD2 3.34Å; Y11-I51 HydrophobicContact CD2-CG1 4.31Å; Y11-I51 HydrophobicContact CE2-CD1 4Å; Y11-I51 HydrophobicContact CE2-CG1 4.14Å; Y11-Y76 AromaticContact CD1-CD1 3.71Å; Y11-Y76 HydrophobicContact CD1-CD1 3.71Å; Y11-Y76 HydrophobicContact CD1-CD2 4.46Å; Y11-Y76 AromaticContact CD1-CE1 3.69Å; Y11-Y76 HydrophobicContact CD1-CE1 3.69Å; Y11-Y76 HydrophobicContact CD1-CE2 4.44Å; Y11-Y76 HydrophobicContact CD1-CG 4.11Å; Y11-Y76 AromaticContact CE1-CD1 3.11Å; Y11-Y76 HydrophobicContact CE1-CD1 3.11Å; Y11-Y76 HydrophobicContact CE1-CD2 4.48Å; Y11-Y76 AromaticContact CE1-CE1 3.48Å; Y11-Y76 HydrophobicContact CE1-CE1 3.48Å; Y11-Y76 VanDerWaalsContact CE1-CE1 3.48Å; Y11-Y76 AromaticContact CE1-CG 3.7Å; Y11-Y76 HydrophobicContact CE1-CG 3.7Å; Y11-Y76 HydrophobicContact CE2-CD1 4.37Å; Y11-Y76 HydrophobicContact CE2-CG 4.16Å; Y11-Y76 AromaticContact CZ-CD1 3.5Å; Y11-Y76 AromaticContact CZ-CG 3.71Å; Y11-Y76 WeakPolarHBondContact OH-CA 3.44Å; Y11-Y76 PolarHBondContact OH-O 2.89Å
12	G	87.1	Confident	83.2	Confident	29 Å²	29	59.6 Å²	59.6	30%	0.299	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-40	176.1	0	0	0	0	0	113	E8 K9 Q10 S16	E8-G12 PolarHBondContact O-N 2.97Å; K9-G12 PolarHBondContact O-N 3.12Å; Q10-G12 PolarHBondContact O-N 2.77Å; G12-S16 WeakPolarHBondContact O-CB 3.46Å; G12-S16 PolarHBondContact O-N 2.94Å; G12-S16 PolarHBondContact O-OG 3.01Å
13	N	89.3	Confident	83.4	Confident	91 Å²	91	58.3 Å²	58.3	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-66.2	-50.7	176.4	-69.4	-13.7	0	0	0	111.5	K9 Q10 Y11 T15 S16 D17	K9-N13 VanDerWaalsContact O-CG 3.24Å; K9-N13 PolarHBondContact O-N 3.34Å; Q10-N13 PolarHBondContact O-N 2.98Å; Y11-N13 VanDerWaalsContact C-N 3.33Å; Y11-N13 PolarHBondContact O-N 3.33Å; N13-T15 PolarHBondContact O-N 3.35Å; N13-S16 WeakPolarHBondContact O-CB 3.3Å; N13-S16 PolarHBondContact O-N 2.87Å; N13-D17 PolarHBondContact O-N 3.41Å
14	L	88.9	Confident	83.4	Confident	17 Å²	17	57.9 Å²	57.9	9%	0.089	31%	0.31	C	S	.	.	H	α-helix	trans	-60.3	-44.2	179.6	-71.2	174.2	0	0	0	111.9	Q10 Y11 S16 D17 I18 L43 E46 T47 L50	Q10-L14 WeakPolarHBondContact O-CG 3.41Å; Q10-L14 PolarHBondContact O-N 3.49Å; Y11-L14 PolarHBondContact O-N 3.02Å; L14-S16 VanDerWaalsContact C-N 3.3Å; L14-S16 PolarHBondContact O-N 3.35Å; L14-D17 PolarHBondContact O-N 3Å; L14-I18 VanDerWaalsContact O-CG1 3.26Å; L14-I18 WeakPolarHBondContact O-CG1 3.33Å; L14-I18 PolarHBondContact O-N 2.96Å; L14-L43 HydrophobicContact CD2-CD2 3.68Å; L14-E46 HydrophobicContact CD1-CG 4.09Å; L14-E46 HydrophobicContact CD2-CG 4.18Å; L14-T47 WeakPolarHBondContact CB-OG1 3.42Å; L14-L50 HydrophobicContact CD1-CB 4.45Å; L14-L50 HydrophobicContact CD1-CD2 3.77Å
15	T	85.9	Confident	83.3	Confident	17 Å²	17	57.5 Å²	57.5	10%	0.104	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-37	179	-53.6	0	0	0	0	111.5	Y11 N13 T19 L83	Y11-T15 WeakPolarHBondContact CE1-OG1 3.37Å; Y11-T15 WeakPolarHBondContact O-CB 3.23Å; Y11-T15 PolarHBondContact O-N 3.47Å; Y11-T15 PolarHBondContact O-OG1 2.9Å; N13-T15 PolarHBondContact O-N 3.35Å; T15-T19 WeakPolarHBondContact O-CB 3.37Å; T15-T19 PolarHBondContact O-N 3.45Å; T15-T19 PolarHBondContact O-OG1 3.22Å; T15-L83 HydrophobicContact CG2-CD2 4.04Å
16	S	85.8	Confident	82.8	Confident	72 Å²	72	56.4 Å²	56.4	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-65.5	-43.6	174.6	-60.6	0	0	0	0	111.5	G12 N13 L14 T19 F20	G12-S16 WeakPolarHBondContact O-CB 3.46Å; G12-S16 PolarHBondContact O-N 2.94Å; G12-S16 PolarHBondContact O-OG 3.01Å; N13-S16 WeakPolarHBondContact O-CB 3.3Å; N13-S16 PolarHBondContact O-N 2.87Å; L14-S16 VanDerWaalsContact C-N 3.3Å; L14-S16 PolarHBondContact O-N 3.35Å; S16-T19 PolarHBondContact O-N 3.19Å; S16-F20 VanDerWaalsContact O-CB 3.3Å; S16-F20 WeakPolarHBondContact O-CB 3.44Å; S16-F20 PolarHBondContact O-N 3.44Å
17	D	86.6	Confident	82.2	Confident	82 Å²	82	61.5 Å²	61.5	44%	0.439	33%	0.327	S	S	.	.	H	α-helix	trans	-65.1	-42.9	177.5	-75.9	-12.6	0	0	0	111.8	N13 L14 T19 F20 K21 L43	N13-D17 PolarHBondContact O-N 3.41Å; L14-D17 PolarHBondContact O-N 3Å; D17-T19 PolarHBondContact O-N 2.94Å; D17-F20 PolarHBondContact O-N 3.3Å; D17-K21 WeakPolarHBondContact O-CB 3.33Å; D17-K21 WeakPolarHBondContact O-CG 3.46Å; D17-K21 PolarHBondContact O-N 2.99Å; D17-L43 HydrophobicContact CB-CD1 4.37Å; D17-L43 HydrophobicContact CB-CD2 4.25Å
18	I	85.9	Confident	81.4	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-59	-49.5	173.8	-67.8	165.6	0	0	0	109.8	L14 F20 K21 L22 V40 L43 F44 T47 L83	L14-I18 VanDerWaalsContact O-CG1 3.26Å; L14-I18 WeakPolarHBondContact O-CG1 3.33Å; L14-I18 PolarHBondContact O-N 2.96Å; I18-F20 PolarHBondContact O-N 2.87Å; I18-K21 PolarHBondContact O-N 3.43Å; I18-L22 WeakPolarHBondContact O-CB 3.4Å; I18-L22 PolarHBondContact O-N 2.91Å; I18-V40 HydrophobicContact CG2-CG1 4.38Å; I18-L43 HydrophobicContact CD1-CB 4.21Å; I18-L43 HydrophobicContact CG1-CB 3.65Å; I18-L43 HydrophobicContact CG1-CD1 4.48Å; I18-F44 HydrophobicContact CD1-CD1 4.18Å; I18-F44 HydrophobicContact CD1-CE1 4.38Å; I18-F44 HydrophobicContact CD1-CG 4.4Å; I18-F44 HydrophobicContact CG2-CE1 4.19Å; I18-F44 HydrophobicContact CG2-CE2 3.83Å; I18-F44 HydrophobicContact CG2-CZ 3.64Å; I18-T47 WeakPolarHBondContact CD1-OG1 3.4Å; I18-L83 HydrophobicContact CB-CD2 4.36Å; I18-L83 HydrophobicContact CG2-CD2 3.8Å
19	T	84.2	Confident	80.7	Confident	77 Å²	77	65 Å²	65	47%	0.472	35%	0.35	S	S	.	.	H	α-helix	trans	-63.8	-41.5	-178	-56.2	0	0	0	0	111.6	T15 S16 D17 L22 G23	T15-T19 WeakPolarHBondContact O-CB 3.37Å; T15-T19 PolarHBondContact O-N 3.45Å; T15-T19 PolarHBondContact O-OG1 3.22Å; S16-T19 PolarHBondContact O-N 3.19Å; D17-T19 PolarHBondContact O-N 2.94Å; T19-L22 PolarHBondContact O-N 3.26Å; T19-G23 PolarHBondContact O-N 3.47Å
20	F	82.6	Confident	79.7	Confident	148 Å²	148	61.1 Å²	61.1	65%	0.649	35%	0.35	S	S	*	.	H	α-helix	trans	-62.2	-49.2	177.1	178.1	-101.3	0	0	0	111.7	S16 D17 I18 L22 G23 K24	S16-F20 VanDerWaalsContact O-CB 3.3Å; S16-F20 WeakPolarHBondContact O-CB 3.44Å; S16-F20 PolarHBondContact O-N 3.44Å; D17-F20 PolarHBondContact O-N 3.3Å; I18-F20 PolarHBondContact O-N 2.87Å; F20-L22 VanDerWaalsContact C-N 3.35Å; F20-L22 PolarHBondContact O-N 2.88Å; F20-G23 PolarHBondContact O-N 2.89Å; F20-K24 PolarHBondContact O-N 2.96Å; F20-K24 VanDerWaalsContact O-N 3.16Å
21	K	80.7	Confident	78.7	Confident	44 Å²	44	59.6 Å²	59.6	19%	0.191	36%	0.357	C	S	.	.	H	α-helix	trans	-65.8	-37.8	177.7	-69.2	-179.8	171.9	-88.1	0	111.8	D17 I18 G23 K24 I25 E36 D39 V40 L43	D17-K21 WeakPolarHBondContact O-CB 3.33Å; D17-K21 WeakPolarHBondContact O-CG 3.46Å; D17-K21 PolarHBondContact O-N 2.99Å; I18-K21 PolarHBondContact O-N 3.43Å; K21-G23 VanDerWaalsContact C-N 3.28Å; K21-G23 PolarHBondContact O-N 3.38Å; K21-K24 PolarHBondContact O-N 3.42Å; K21-I25 VanDerWaalsContact O-CG1 3.32Å; K21-I25 WeakPolarHBondContact O-CG1 3.14Å; K21-I25 PolarHBondContact O-N 3.03Å; K21-E36 HydrophobicContact CB-CG 4.37Å; K21-E36 VanDerWaalsContact CD-OE1 3.3Å; K21-E36 WeakPolarHBondContact CD-OE1 3.46Å; K21-E36 WeakPolarHBondContact CE-OE1 3.45Å; K21-E36 WeakPolarHBondContact CG-OE1 3.37Å; K21-E36 IonicContact NZ-OE1 3.27Å; K21-E36 PolarHBondContact NZ-OE1 3.3Å; K21-D39 IonicContact NZ-OD2 3.44Å; K21-V40 HydrophobicContact CB-CG2 3.31Å; K21-V40 HydrophobicContact CD-CG2 3.85Å; K21-V40 HydrophobicContact CG-CG2 4.24Å; K21-L43 HydrophobicContact CD-CD1 3.44Å; K21-L43 VanDerWaalsContact CD-CD1 3.44Å
22	L	76.8	Confident	78.1	Confident	20 Å²	20	65.1 Å²	65.1	11%	0.105	38%	0.384	C	S	.	.	H	α-helix	trans	-62.7	-33.9	175.6	-163.8	71.7	0	0	0	112.5	I18 T19 F20 P26 E86 F87 Y92	I18-L22 WeakPolarHBondContact O-CB 3.4Å; I18-L22 PolarHBondContact O-N 2.91Å; T19-L22 PolarHBondContact O-N 3.26Å; F20-L22 VanDerWaalsContact C-N 3.35Å; F20-L22 PolarHBondContact O-N 2.88Å; L22-P26 VanDerWaalsContact O-CD 3.23Å; L22-P26 WeakPolarHBondContact O-CD 3.47Å; L22-E86 HydrophobicContact CD2-CB 4.38Å; L22-F87 HydrophobicContact CD1-CB 4.31Å; L22-F87 HydrophobicContact CD1-CD2 3.77Å; L22-Y92 HydrophobicContact CD1-CD1 3.6Å; L22-Y92 HydrophobicContact CD1-CD2 4.33Å; L22-Y92 HydrophobicContact CD1-CE1 3.29Å; L22-Y92 HydrophobicContact CD1-CE2 4.05Å; L22-Y92 HydrophobicContact CD1-CG 4.13Å; L22-Y92 HydrophobicContact CG-CD1 4.48Å; L22-Y92 HydrophobicContact CG-CE1 3.69Å; L22-Y92 HydrophobicContact CG-CE2 4.49Å; L22-Y92 WeakPolarHBondContact O-CE1 3.31Å
23	G	76.3	Confident	77.4	Confident	45 Å²	45	66.5 Å²	66.5	46%	0.464	38%	0.38	S	S	.	.	H	α-helix	trans	-72.6	-26.8	172.4	0	0	0	0	0	114.1	T19 F20 K21 P26	T19-G23 PolarHBondContact O-N 3.47Å; F20-G23 PolarHBondContact O-N 2.89Å; K21-G23 VanDerWaalsContact C-N 3.28Å; K21-G23 PolarHBondContact O-N 3.38Å; G23-P26 WeakPolarHBondContact O-CD 3.48Å
24	K	77.5	Confident	76.8	Confident	80 Å²	80	64 Å²	64	35%	0.348	37%	0.372	S	S	.	.	H	α-helix	trans	-84.5	-34.6	-179.4	-166.9	-171.9	170.4	-150.8	0	113	F20 K21 P26 Q27 L28 E36	F20-K24 PolarHBondContact O-N 2.96Å; F20-K24 VanDerWaalsContact O-N 3.16Å; K21-K24 PolarHBondContact O-N 3.42Å; K24-P26 VanDerWaalsContact C-CD 3.41Å; K24-P26 VanDerWaalsContact C-N 3.34Å; K24-Q27 WeakPolarHBondContact O-CB 3.35Å; K24-Q27 PolarHBondContact O-N 3.36Å; K24-L28 HydrophobicContact CD-CD1 4.09Å; K24-L28 HydrophobicContact CG-CD1 3.89Å; K24-L28 HydrophobicContact CG-CG 4.2Å; K24-L28 PolarHBondContact O-N 3.23Å; K24-E36 IonicContact NZ-OE2 3.31Å; K24-E36 PolarHBondContact NZ-OE2 2.97Å
25	I	72.5	Confident	76.3	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-49.4	-43.1	-179.9	-74.5	164.2	0	0	0	113.8	K21 Q27 L28 R33 E36 V37 V40 F87 Y92	K21-I25 VanDerWaalsContact O-CG1 3.32Å; K21-I25 WeakPolarHBondContact O-CG1 3.14Å; K21-I25 PolarHBondContact O-N 3.03Å; I25-Q27 PolarHBondContact O-N 3.02Å; I25-L28 PolarHBondContact O-N 3.26Å; I25-R33 HydrophobicContact CG2-CG 3.83Å; I25-E36 HydrophobicContact CD1-CG 4.44Å; I25-E36 HydrophobicContact CG1-CB 4.01Å; I25-E36 HydrophobicContact CG1-CG 3.75Å; I25-V37 HydrophobicContact CD1-CG2 3.86Å; I25-V37 HydrophobicContact CG1-CG2 4.2Å; I25-V37 HydrophobicContact CG2-CG2 3.95Å; I25-V40 HydrophobicContact CD1-CB 4.44Å; I25-V40 HydrophobicContact CD1-CG2 3.9Å; I25-F87 HydrophobicContact CD1-CE2 4.29Å; I25-Y92 HydrophobicContact CB-CD1 4.1Å; I25-Y92 HydrophobicContact CB-CE1 4.3Å; I25-Y92 HydrophobicContact CD1-CD1 4.3Å; I25-Y92 HydrophobicContact CG2-CD1 3.63Å; I25-Y92 HydrophobicContact CG2-CE1 4.22Å
26	P	68	Low	76	Confident	76 Å²	76	70.3 Å²	70.3	49%	0.494	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-65.9	-20.6	178.3	-21.5	32.9	0	0	0	114.6	L22 G23 K24 Y92	L22-P26 VanDerWaalsContact O-CD 3.23Å; L22-P26 WeakPolarHBondContact O-CD 3.47Å; G23-P26 WeakPolarHBondContact O-CD 3.48Å; K24-P26 VanDerWaalsContact C-CD 3.41Å; K24-P26 VanDerWaalsContact C-N 3.34Å; P26-Y92 HydrophobicContact CG-CE1 4.25Å
27	Q	71.2	Confident	75.7	Confident	161 Å²	161	67.8 Å²	67.8	75%	0.752	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-91.6	-13	-178.4	-55.7	-176	9.8	0	0	112.5	K24 I25	K24-Q27 WeakPolarHBondContact O-CB 3.35Å; K24-Q27 PolarHBondContact O-N 3.36Å; I25-Q27 PolarHBondContact O-N 3.02Å
28	L	66.6	Low	75.4	Confident	26 Å²	26	69.4 Å²	69.4	14%	0.136	38%	0.383	C	S	.	.			trans	-97.2	139.5	-176.8	-64.9	169.1	0	0	0	111.1	K24 I25 E32 R33 E36	K24-L28 HydrophobicContact CD-CD1 4.09Å; K24-L28 HydrophobicContact CG-CD1 3.89Å; K24-L28 HydrophobicContact CG-CG 4.2Å; K24-L28 PolarHBondContact O-N 3.23Å; I25-L28 PolarHBondContact O-N 3.26Å; L28-E32 HydrophobicContact CB-CB 4.46Å; L28-E32 HydrophobicContact CD2-CB 4.45Å; L28-R33 HydrophobicContact CB-CB 4.33Å; L28-E36 HydrophobicContact CD1-CB 4.05Å; L28-E36 HydrophobicContact CD1-CG 4.04Å
29	N	67.4	Low	75.4	Confident	143 Å²	143	72.5 Å²	72.5	77%	0.765	40%	0.4	S	S	*	.			trans	-102.1	144.5	-179.5	-77.2	-28	0	0	0	112.2	G31	N29-G31 PolarHBondContact O-N 3.39Å
30	G	65.4	Low	75.4	Confident	60 Å²	60	68.8 Å²	68.8	62%	0.619	38%	0.377	S	S	*	.	H	α-helix	trans	57.9	-119.6	166	0	0	0	0	0	115.3	R33 A34	G30-R33 WeakPolarHBondContact O-CB 3.36Å; G30-R33 PolarHBondContact O-N 3.45Å; G30-A34 PolarHBondContact O-N 3.35Å
31	G	67.3	Low	75.4	Confident	53 Å²	53	63.9 Å²	63.9	55%	0.546	36%	0.361	S	S	.	.	H	α-helix	trans	-69.7	-32.8	-171.4	0	0	0	0	0	114.6	N29 R33 A34 K35	N29-G31 PolarHBondContact O-N 3.39Å; G31-R33 VanDerWaalsContact C-N 3.31Å; G31-A34 PolarHBondContact O-N 2.96Å; G31-K35 PolarHBondContact O-N 3.43Å; G31-K35 VanDerWaalsContact O-N 3.15Å
32	E	74.7	Confident	75.7	Confident	126 Å²	126	65.9 Å²	65.9	59%	0.589	37%	0.373	S	S	*	.	H	α-helix	trans	-66.8	-37.5	175.4	-66.2	-176.3	162.1	0	0	111.1	L28 A34 K35 E36	L28-E32 HydrophobicContact CB-CB 4.46Å; L28-E32 HydrophobicContact CD2-CB 4.45Å; E32-A34 VanDerWaalsContact C-N 3.34Å; E32-A34 PolarHBondContact O-N 3.01Å; E32-K35 PolarHBondContact O-N 2.97Å; E32-E36 WeakPolarHBondContact O-CB 3.39Å; E32-E36 PolarHBondContact O-N 3.46Å
33	R	72.1	Confident	76.2	Confident	58 Å²	58	65.9 Å²	65.9	22%	0.219	37%	0.373	C	S	.	.	H	α-helix	trans	-60.3	-43.9	174.4	-166.9	179.9	162.8	-153.5	-10.2	111.5	I25 L28 G30 G31 E36 V37 R91 A93	I25-R33 HydrophobicContact CG2-CG 3.83Å; L28-R33 HydrophobicContact CB-CB 4.33Å; G30-R33 WeakPolarHBondContact O-CB 3.36Å; G30-R33 PolarHBondContact O-N 3.45Å; G31-R33 VanDerWaalsContact C-N 3.31Å; R33-E36 PolarHBondContact O-N 3.4Å; R33-V37 HydrophobicContact CG-CG2 4.45Å; R33-V37 WeakPolarHBondContact O-CB 3.33Å; R33-V37 WeakPolarHBondContact O-CG2 3.4Å; R33-V37 PolarHBondContact O-N 3.44Å; R33-R91 PolarHBondContact NH2-O 2.72Å; R33-A93 PolarHBondContact NH2-O 3.45Å; R33-A93 VanDerWaalsContact NH2-O 3.1Å
34	A	75.4	Confident	76.7	Confident	38 Å²	38	64.1 Å²	64.1	31%	0.314	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-38.9	178.9	0	0	0	0	0	112.4	G30 G31 E32 H38 V94	G30-A34 PolarHBondContact O-N 3.35Å; G31-A34 PolarHBondContact O-N 2.96Å; E32-A34 VanDerWaalsContact C-N 3.34Å; E32-A34 PolarHBondContact O-N 3.01Å; A34-H38 PolarHBondContact O-N 2.75Å; A34-V94 HydrophobicContact CB-CG2 4.29Å
35	K	78.7	Confident	77.1	Confident	150 Å²	150	63.6 Å²	63.6	65%	0.652	35%	0.354	S	S	*	.	H	α-helix	trans	-64.6	-48.5	173.8	-69.7	-177.9	179.9	-177.1	0	111.7	G31 E32 V37 H38 D39	G31-K35 PolarHBondContact O-N 3.43Å; G31-K35 VanDerWaalsContact O-N 3.15Å; E32-K35 PolarHBondContact O-N 2.97Å; K35-V37 VanDerWaalsContact C-N 3.32Å; K35-V37 PolarHBondContact O-N 3.44Å; K35-H38 WeakPolarHBondContact O-CB 3.36Å; K35-H38 PolarHBondContact O-N 3.05Å; K35-D39 PolarHBondContact O-N 3.44Å
36	E	80.5	Confident	77.9	Confident	17 Å²	17	68.4 Å²	68.4	8%	0.079	38%	0.376	C	S	.	.	H	α-helix	trans	-64.5	-36.8	-179.3	-160.7	78.9	-121.9	0	0	111.9	K21 K24 I25 L28 E32 R33 D39 V40	K21-E36 HydrophobicContact CB-CG 4.37Å; K21-E36 VanDerWaalsContact CD-OE1 3.3Å; K21-E36 WeakPolarHBondContact CD-OE1 3.46Å; K21-E36 WeakPolarHBondContact CE-OE1 3.45Å; K21-E36 WeakPolarHBondContact CG-OE1 3.37Å; K21-E36 IonicContact NZ-OE1 3.27Å; K21-E36 PolarHBondContact NZ-OE1 3.3Å; K24-E36 IonicContact NZ-OE2 3.31Å; K24-E36 PolarHBondContact NZ-OE2 2.97Å; I25-E36 HydrophobicContact CD1-CG 4.44Å; I25-E36 HydrophobicContact CG1-CB 4.01Å; I25-E36 HydrophobicContact CG1-CG 3.75Å; L28-E36 HydrophobicContact CD1-CB 4.05Å; L28-E36 HydrophobicContact CD1-CG 4.04Å; E32-E36 WeakPolarHBondContact O-CB 3.39Å; E32-E36 PolarHBondContact O-N 3.46Å; R33-E36 PolarHBondContact O-N 3.4Å; E36-D39 PolarHBondContact O-N 2.97Å; E36-V40 WeakPolarHBondContact O-CB 3.48Å; E36-V40 VanDerWaalsContact O-CG2 3.27Å; E36-V40 WeakPolarHBondContact O-CG2 3.35Å; E36-V40 PolarHBondContact O-N 2.98Å
37	V	79.1	Confident	78.8	Confident	19 Å²	19	64.8 Å²	64.8	12%	0.115	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-41.7	172	167.2	0	0	0	0	111	I25 R33 K35 V40 S41 F87 V94	I25-V37 HydrophobicContact CD1-CG2 3.86Å; I25-V37 HydrophobicContact CG1-CG2 4.2Å; I25-V37 HydrophobicContact CG2-CG2 3.95Å; R33-V37 HydrophobicContact CG-CG2 4.45Å; R33-V37 WeakPolarHBondContact O-CB 3.33Å; R33-V37 WeakPolarHBondContact O-CG2 3.4Å; R33-V37 PolarHBondContact O-N 3.44Å; K35-V37 VanDerWaalsContact C-N 3.32Å; K35-V37 PolarHBondContact O-N 3.44Å; V37-V40 PolarHBondContact O-N 3.25Å; V37-S41 PolarHBondContact O-N 2.9Å; V37-F87 HydrophobicContact CB-CE2 4.45Å; V37-F87 HydrophobicContact CB-CZ 4.34Å; V37-F87 HydrophobicContact CG1-CE1 4.47Å; V37-F87 HydrophobicContact CG1-CE2 4.03Å; V37-F87 HydrophobicContact CG1-CZ 3.53Å; V37-F87 HydrophobicContact CG2-CE2 4.49Å; V37-F87 WeakPolarHBondContact O-CZ 3.4Å; V37-V94 HydrophobicContact CG1-CG2 4.38Å
38	H	81.5	Confident	79.6	Confident	116 Å²	116	61.1 Å²	61.1	54%	0.537	33%	0.334	S	S	.	.	H	α-helix	trans	-65.7	-45.4	176.1	-176.6	58	0	0	0	111.9	A34 K35 V40 S41 I42	A34-H38 PolarHBondContact O-N 2.75Å; K35-H38 WeakPolarHBondContact O-CB 3.36Å; K35-H38 PolarHBondContact O-N 3.05Å; H38-V40 VanDerWaalsContact C-N 3.3Å; H38-V40 PolarHBondContact O-N 3.33Å; H38-S41 WeakPolarHBondContact O-CA 3.44Å; H38-S41 VanDerWaalsContact O-CB 3.25Å; H38-S41 WeakPolarHBondContact O-CB 3.44Å; H38-S41 PolarHBondContact O-N 3.36Å; H38-I42 PolarHBondContact O-N 2.97Å
39	D	84.1	Confident	80.6	Confident	65 Å²	65	65.6 Å²	65.6	35%	0.348	36%	0.355	S	S	.	.	H	α-helix	trans	-59.4	-41.4	176.2	-68.3	-5.2	0	0	0	111.7	K21 K35 E36 S41 I42 L43	K21-D39 IonicContact NZ-OD2 3.44Å; K35-D39 PolarHBondContact O-N 3.44Å; E36-D39 PolarHBondContact O-N 2.97Å; D39-S41 VanDerWaalsContact C-N 3.3Å; D39-S41 PolarHBondContact O-N 2.94Å; D39-I42 PolarHBondContact O-N 3.41Å; D39-L43 PolarHBondContact O-N 2.92Å
40	V	84.7	Confident	81.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-38.6	174.4	168	0	0	0	0	111.3	I18 K21 I25 E36 V37 H38 I42 L43 F44 F87	I18-V40 HydrophobicContact CG2-CG1 4.38Å; K21-V40 HydrophobicContact CB-CG2 3.31Å; K21-V40 HydrophobicContact CD-CG2 3.85Å; K21-V40 HydrophobicContact CG-CG2 4.24Å; I25-V40 HydrophobicContact CD1-CB 4.44Å; I25-V40 HydrophobicContact CD1-CG2 3.9Å; E36-V40 WeakPolarHBondContact O-CB 3.48Å; E36-V40 VanDerWaalsContact O-CG2 3.27Å; E36-V40 WeakPolarHBondContact O-CG2 3.35Å; E36-V40 PolarHBondContact O-N 2.98Å; V37-V40 PolarHBondContact O-N 3.25Å; H38-V40 VanDerWaalsContact C-N 3.3Å; H38-V40 PolarHBondContact O-N 3.33Å; V40-I42 VanDerWaalsContact C-N 3.33Å; V40-I42 PolarHBondContact O-N 3.33Å; V40-L43 PolarHBondContact O-N 3.31Å; V40-F44 HydrophobicContact CG1-CD2 3.63Å; V40-F44 HydrophobicContact CG1-CE2 3.42Å; V40-F44 VanDerWaalsContact CG1-CE2 3.42Å; V40-F44 WeakPolarHBondContact O-CD2 3.36Å; V40-F44 PolarHBondContact O-N 3.44Å; V40-F87 HydrophobicContact CB-CE2 3.88Å; V40-F87 HydrophobicContact CB-CZ 4.45Å; V40-F87 HydrophobicContact CG1-CD2 3.64Å; V40-F87 HydrophobicContact CG1-CE2 3.44Å; V40-F87 VanDerWaalsContact CG1-CE2 3.44Å; V40-F87 HydrophobicContact CG1-CG 4.48Å; V40-F87 HydrophobicContact CG1-CZ 4.15Å
41	S	83.1	Confident	82.7	Confident	45 Å²	45	56.7 Å²	56.7	32%	0.315	29%	0.292	S	S	.	.	H	α-helix	trans	-61.1	-41.9	174.7	-165.6	0	0	0	0	112	V37 H38 D39 F44 D45	V37-S41 PolarHBondContact O-N 2.9Å; H38-S41 WeakPolarHBondContact O-CA 3.44Å; H38-S41 VanDerWaalsContact O-CB 3.25Å; H38-S41 WeakPolarHBondContact O-CB 3.44Å; H38-S41 PolarHBondContact O-N 3.36Å; D39-S41 VanDerWaalsContact C-N 3.3Å; D39-S41 PolarHBondContact O-N 2.94Å; S41-F44 WeakPolarHBondContact O-CB 3.26Å; S41-F44 PolarHBondContact O-N 3.25Å; S41-D45 PolarHBondContact O-N 3.08Å; S41-D45 VanDerWaalsContact O-N 3.09Å
42	I	86.9	Confident	83.6	Confident	86 Å²	86	60.2 Å²	60.2	44%	0.441	30%	0.295	S	S	.	.	H	α-helix	trans	-62.8	-45.5	176.9	-63.9	169.3	0	0	0	110.3	H38 D39 V40 F44 D45 E46	H38-I42 PolarHBondContact O-N 2.97Å; D39-I42 PolarHBondContact O-N 3.41Å; V40-I42 VanDerWaalsContact C-N 3.33Å; V40-I42 PolarHBondContact O-N 3.33Å; I42-F44 VanDerWaalsContact C-N 3.29Å; I42-F44 PolarHBondContact O-N 3.33Å; I42-D45 PolarHBondContact O-N 3.43Å; I42-D45 VanDerWaalsContact O-N 3.11Å; I42-E46 PolarHBondContact O-N 3.05Å
43	L	86.7	Confident	84.2	Confident	19 Å²	19	58.6 Å²	58.6	10%	0.099	29%	0.287	C	S	.	.	H	α-helix	trans	-60.3	-37.3	176	-78.6	158.4	0	0	0	112.6	L14 D17 I18 K21 D39 V40 T47	L14-L43 HydrophobicContact CD2-CD2 3.68Å; D17-L43 HydrophobicContact CB-CD1 4.37Å; D17-L43 HydrophobicContact CB-CD2 4.25Å; I18-L43 HydrophobicContact CD1-CB 4.21Å; I18-L43 HydrophobicContact CG1-CB 3.65Å; I18-L43 HydrophobicContact CG1-CD1 4.48Å; K21-L43 HydrophobicContact CD-CD1 3.44Å; K21-L43 VanDerWaalsContact CD-CD1 3.44Å; D39-L43 PolarHBondContact O-N 2.92Å; V40-L43 PolarHBondContact O-N 3.31Å; L43-T47 WeakPolarHBondContact O-CB 3.42Å; L43-T47 PolarHBondContact O-N 3.45Å; L43-T47 PolarHBondContact O-OG1 3.41Å
44	F	86.5	Confident	84.7	Confident	8 Å²	8	55.8 Å²	55.8	4%	0.035	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-42.6	174.1	-89.3	-68.6	0	0	0	112	I18 V40 S41 I42 T47 K48 L80 L83 F87	I18-F44 HydrophobicContact CD1-CD1 4.18Å; I18-F44 HydrophobicContact CD1-CE1 4.38Å; I18-F44 HydrophobicContact CD1-CG 4.4Å; I18-F44 HydrophobicContact CG2-CE1 4.19Å; I18-F44 HydrophobicContact CG2-CE2 3.83Å; I18-F44 HydrophobicContact CG2-CZ 3.64Å; V40-F44 HydrophobicContact CG1-CD2 3.63Å; V40-F44 HydrophobicContact CG1-CE2 3.42Å; V40-F44 VanDerWaalsContact CG1-CE2 3.42Å; V40-F44 WeakPolarHBondContact O-CD2 3.36Å; V40-F44 PolarHBondContact O-N 3.44Å; S41-F44 WeakPolarHBondContact O-CB 3.26Å; S41-F44 PolarHBondContact O-N 3.25Å; I42-F44 VanDerWaalsContact C-N 3.29Å; I42-F44 PolarHBondContact O-N 3.33Å; F44-T47 PolarHBondContact O-N 2.97Å; F44-K48 WeakPolarHBondContact O-CG 3.4Å; F44-K48 PolarHBondContact O-N 3.47Å; F44-L80 HydrophobicContact CD1-CD1 4.4Å; F44-L80 HydrophobicContact CD1-CG 4.31Å; F44-L83 HydrophobicContact CE1-CB 3.65Å; F44-L83 HydrophobicContact CZ-CB 3.77Å; F44-F87 HydrophobicContact CE2-CB 3.91Å; F44-F87 HydrophobicContact CE2-CD1 4.42Å; F44-F87 HydrophobicContact CE2-CD2 4.21Å; F44-F87 AromaticContact CE2-CG 3.94Å; F44-F87 HydrophobicContact CE2-CG 3.94Å; F44-F87 HydrophobicContact CZ-CB 4.18Å
45	D	86.8	Confident	85	Confident	70 Å²	70	55.6 Å²	55.6	37%	0.374	27%	0.273	S	S	.	.	H	α-helix	trans	-69.6	-41.5	179.6	-66.3	-27.5	0	0	0	111.1	S41 I42 T47 K48 E49	S41-D45 PolarHBondContact O-N 3.08Å; S41-D45 VanDerWaalsContact O-N 3.09Å; I42-D45 PolarHBondContact O-N 3.43Å; I42-D45 VanDerWaalsContact O-N 3.11Å; D45-T47 VanDerWaalsContact C-N 3.3Å; D45-T47 PolarHBondContact O-N 2.98Å; D45-K48 WeakPolarHBondContact O-CB 3.45Å; D45-K48 PolarHBondContact O-N 3.3Å; D45-K48 VanDerWaalsContact O-N 3.13Å; D45-K48 IonicContact OD1-NZ 2.58Å; D45-K48 PolarHBondContact OD1-NZ 3.02Å; D45-E49 PolarHBondContact O-N 3.3Å
46	E	88.7	Confident	85.3	Confident	100 Å²	100	53.7 Å²	53.7	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-59.1	-40	171.6	-172.4	176.4	-173.2	0	0	112	L14 I42 E49 L50	L14-E46 HydrophobicContact CD1-CG 4.09Å; L14-E46 HydrophobicContact CD2-CG 4.18Å; I42-E46 PolarHBondContact O-N 3.05Å; E46-E49 PolarHBondContact O-N 3.41Å; E46-L50 WeakPolarHBondContact O-CB 3.34Å; E46-L50 PolarHBondContact O-N 2.95Å
47	T	87.8	Confident	85.3	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-68.6	-35	177	-51.2	0	0	0	0	112	Y11 L14 I18 L43 F44 D45 L50 I51 L80	Y11-T47 HydrophobicContact CD2-CG2 3.82Å; Y11-T47 HydrophobicContact CE2-CG2 3.66Å; L14-T47 WeakPolarHBondContact CB-OG1 3.42Å; I18-T47 WeakPolarHBondContact CD1-OG1 3.4Å; L43-T47 WeakPolarHBondContact O-CB 3.42Å; L43-T47 PolarHBondContact O-N 3.45Å; L43-T47 PolarHBondContact O-OG1 3.41Å; F44-T47 PolarHBondContact O-N 2.97Å; D45-T47 VanDerWaalsContact C-N 3.3Å; D45-T47 PolarHBondContact O-N 2.98Å; T47-L50 PolarHBondContact O-N 2.95Å; T47-I51 VanDerWaalsContact O-CG1 3.31Å; T47-I51 WeakPolarHBondContact O-CG1 3.48Å; T47-I51 PolarHBondContact O-N 3.19Å; T47-L80 HydrophobicContact CG2-CD1 3.37Å
48	K	87.6	Confident	85.3	Confident	83 Å²	83	54.7 Å²	54.7	36%	0.361	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-46.3	173.7	-71.8	170.7	-162.4	153.6	0	111.1	F44 D45 L50 I51 E52 L80	F44-K48 WeakPolarHBondContact O-CG 3.4Å; F44-K48 PolarHBondContact O-N 3.47Å; D45-K48 WeakPolarHBondContact O-CB 3.45Å; D45-K48 PolarHBondContact O-N 3.3Å; D45-K48 VanDerWaalsContact O-N 3.13Å; D45-K48 IonicContact OD1-NZ 2.58Å; D45-K48 PolarHBondContact OD1-NZ 3.02Å; K48-L50 VanDerWaalsContact C-N 3.27Å; K48-L50 PolarHBondContact O-N 3.22Å; K48-I51 PolarHBondContact O-N 3.07Å; K48-I51 VanDerWaalsContact O-N 3.13Å; K48-E52 PolarHBondContact O-N 2.95Å; K48-L80 HydrophobicContact CG-CD1 4.35Å; K48-L80 HydrophobicContact CG-CD2 3.77Å
49	E	88.3	Confident	85.1	Confident	121 Å²	121	55.8 Å²	55.8	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-57.8	-42.5	176	-72	-177.7	-175.1	0	0	111.1	D45 E46 I51 E52 Q53	D45-E49 PolarHBondContact O-N 3.3Å; E46-E49 PolarHBondContact O-N 3.41Å; E49-I51 PolarHBondContact O-N 2.87Å; E49-E52 PolarHBondContact O-N 3.43Å; E49-Q53 WeakPolarHBondContact O-CG 3.38Å; E49-Q53 PolarHBondContact O-N 2.87Å
50	L	88.9	Confident	84.8	Confident	7 Å²	7	60.4 Å²	60.4	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-44.4	174.9	-174.3	69.7	0	0	0	112.5	Y7 Q10 Y11 L14 E46 T47 K48 E52 Q53 M54	Y7-L50 HydrophobicContact CD1-CD1 3.54Å; Y7-L50 HydrophobicContact CE1-CD1 4.11Å; Q10-L50 HydrophobicContact CB-CD1 4.15Å; Q10-L50 HydrophobicContact CB-CD2 3.8Å; Y11-L50 HydrophobicContact CD2-CD2 4.48Å; Y11-L50 VanDerWaalsContact N-CD2 3.34Å; L14-L50 HydrophobicContact CD1-CB 4.45Å; L14-L50 HydrophobicContact CD1-CD2 3.77Å; E46-L50 WeakPolarHBondContact O-CB 3.34Å; E46-L50 PolarHBondContact O-N 2.95Å; T47-L50 PolarHBondContact O-N 2.95Å; K48-L50 VanDerWaalsContact C-N 3.27Å; K48-L50 PolarHBondContact O-N 3.22Å; L50-E52 VanDerWaalsContact C-N 3.32Å; L50-E52 PolarHBondContact O-N 3.18Å; L50-Q53 PolarHBondContact O-N 3.42Å; L50-M54 VanDerWaalsContact O-CG 3.32Å; L50-M54 WeakPolarHBondContact O-CG 3.41Å; L50-M54 PolarHBondContact O-N 3.15Å
51	I	87	Confident	84.3	Confident	8 Å²	8	62.4 Å²	62.4	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-39.3	176.3	-71.9	173.2	0	0	0	110.9	Y11 T47 K48 E49 M54 S55 L73 R77 L80	Y11-I51 HydrophobicContact CD2-CG1 4.31Å; Y11-I51 HydrophobicContact CE2-CD1 4Å; Y11-I51 HydrophobicContact CE2-CG1 4.14Å; T47-I51 VanDerWaalsContact O-CG1 3.31Å; T47-I51 WeakPolarHBondContact O-CG1 3.48Å; T47-I51 PolarHBondContact O-N 3.19Å; K48-I51 PolarHBondContact O-N 3.07Å; K48-I51 VanDerWaalsContact O-N 3.13Å; E49-I51 PolarHBondContact O-N 2.87Å; I51-M54 PolarHBondContact O-N 3.41Å; I51-S55 WeakPolarHBondContact O-CB 3.48Å; I51-S55 PolarHBondContact O-N 2.81Å; I51-L73 HydrophobicContact CG2-CD1 3.87Å; I51-L73 HydrophobicContact CG2-CG 4.39Å; I51-R77 HydrophobicContact CG2-CG 3.87Å; I51-L80 HydrophobicContact CD1-CB 4.23Å; I51-L80 HydrophobicContact CD1-CD1 3.95Å
52	E	86.9	Confident	83.7	Confident	128 Å²	128	69.4 Å²	69.4	60%	0.598	33%	0.327	S	S	*	.	H	α-helix	trans	-64.6	-45.4	176.5	-73.9	-177.8	-177.8	0	0	111.5	K48 E49 L50 M54 S55 L56	K48-E52 PolarHBondContact O-N 2.95Å; E49-E52 PolarHBondContact O-N 3.43Å; L50-E52 VanDerWaalsContact C-N 3.32Å; L50-E52 PolarHBondContact O-N 3.18Å; E52-M54 VanDerWaalsContact C-N 3.34Å; E52-M54 PolarHBondContact O-N 3.16Å; E52-S55 WeakPolarHBondContact O-CA 3.37Å; E52-S55 VanDerWaalsContact O-CB 3.25Å; E52-S55 WeakPolarHBondContact O-CB 3.49Å; E52-S55 PolarHBondContact O-N 2.85Å; E52-L56 WeakPolarHBondContact O-CG 3.3Å; E52-L56 PolarHBondContact O-N 3.4Å
53	Q	86.3	Confident	82.8	Confident	91 Å²	91	69.5 Å²	69.5	43%	0.425	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-45.2	173.9	-71.3	178.7	1	0	0	111.8	Y7 E49 L50 S55 L56 E57	Y7-Q53 HydrophobicContact CE1-CB 4.4Å; E49-Q53 WeakPolarHBondContact O-CG 3.38Å; E49-Q53 PolarHBondContact O-N 2.87Å; L50-Q53 PolarHBondContact O-N 3.42Å; Q53-S55 VanDerWaalsContact C-N 3.27Å; Q53-S55 PolarHBondContact O-N 2.96Å; Q53-L56 PolarHBondContact O-N 3.28Å; Q53-E57 PolarHBondContact O-N 3.48Å
54	M	83.9	Confident	82.2	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61.2	-36.3	174.1	-73.4	177.4	55.1	0	0	112.4	F4 Y7 L50 I51 E52 V58 L73 Y76	F4-M54 HydrophobicContact CE1-CE 4.36Å; F4-M54 HydrophobicContact CE2-CE 3.81Å; F4-M54 HydrophobicContact CZ-CE 3.56Å; Y7-M54 HydrophobicContact CD1-CG 4.34Å; Y7-M54 HydrophobicContact CD2-CG 4.2Å; Y7-M54 HydrophobicContact CG-CG 3.84Å; L50-M54 VanDerWaalsContact O-CG 3.32Å; L50-M54 WeakPolarHBondContact O-CG 3.41Å; L50-M54 PolarHBondContact O-N 3.15Å; I51-M54 PolarHBondContact O-N 3.41Å; E52-M54 VanDerWaalsContact C-N 3.34Å; E52-M54 PolarHBondContact O-N 3.16Å; M54-V58 WeakPolarHBondContact O-CB 3.42Å; M54-V58 WeakPolarHBondContact O-CG2 3.29Å; M54-V58 PolarHBondContact O-N 2.81Å; M54-L73 HydrophobicContact CB-CD1 3.83Å; M54-L73 HydrophobicContact CE-CD1 4.09Å; M54-Y76 HydrophobicContact CE-CD2 3.82Å; M54-Y76 HydrophobicContact CE-CE2 3.77Å
55	S	81.9	Confident	81.6	Confident	33 Å²	33	75.6 Å²	75.6	23%	0.231	37%	0.37	C	S	.	.	H	α-helix	trans	-63.8	-42.5	177.3	-162.9	0	0	0	0	112	I51 E52 Q53 Q59 R77	I51-S55 WeakPolarHBondContact O-CB 3.48Å; I51-S55 PolarHBondContact O-N 2.81Å; E52-S55 WeakPolarHBondContact O-CA 3.37Å; E52-S55 VanDerWaalsContact O-CB 3.25Å; E52-S55 WeakPolarHBondContact O-CB 3.49Å; E52-S55 PolarHBondContact O-N 2.85Å; Q53-S55 VanDerWaalsContact C-N 3.27Å; Q53-S55 PolarHBondContact O-N 2.96Å; S55-Q59 PolarHBondContact O-N 3.13Å; S55-Q59 VanDerWaalsContact O-N 3.15Å; S55-R77 PolarHBondContact OG-NH2 3.49Å; S55-R77 VanDerWaalsContact OG-NH2 3.1Å
56	L	84.3	Confident	81.1	Confident	110 Å²	110	77 Å²	77	58%	0.576	37%	0.371	S	S	*	.	H	α-helix	trans	-65.7	-46.8	177.8	-65.9	173.8	0	0	0	110.7	E52 Q53 V58 Q59 E60	E52-L56 WeakPolarHBondContact O-CG 3.3Å; E52-L56 PolarHBondContact O-N 3.4Å; Q53-L56 PolarHBondContact O-N 3.28Å; L56-V58 VanDerWaalsContact C-N 3.35Å; L56-V58 PolarHBondContact O-N 2.84Å; L56-Q59 WeakPolarHBondContact O-CB 3.39Å; L56-Q59 PolarHBondContact O-N 3.4Å; L56-Q59 VanDerWaalsContact O-N 3.08Å; L56-E60 PolarHBondContact O-N 2.96Å
57	E	81	Confident	80.6	Confident	55 Å²	55	75.3 Å²	75.3	26%	0.257	37%	0.37	S	S	.	.	H	α-helix	trans	-60.7	-43.1	178.4	-169.4	68.8	-158.4	0	0	111.7	L3 Y7 Q53 Q59 E60 M61	L3-E57 HydrophobicContact CD2-CG 4.31Å; Y7-E57 HydrophobicContact CE2-CG 4.48Å; Q53-E57 PolarHBondContact O-N 3.48Å; E57-Q59 PolarHBondContact O-N 2.83Å; E57-E60 PolarHBondContact O-N 3.42Å; E57-M61 HydrophobicContact CG-CE 3.7Å; E57-M61 WeakPolarHBondContact O-CG 3.27Å; E57-M61 PolarHBondContact O-N 2.88Å
58	V	79.2	Confident	80.2	Confident	3 Å²	3	82.2 Å²	82.2	2%	0.018	40%	0.399	C	S	.	.	H	α-helix	trans	-65.2	-29.5	177.5	170.1	0	0	0	0	112.1	F4 M54 L56 M61 R66 F69 Q70	F4-V58 HydrophobicContact CD2-CG2 4.23Å; F4-V58 HydrophobicContact CE2-CG2 3.62Å; M54-V58 WeakPolarHBondContact O-CB 3.42Å; M54-V58 WeakPolarHBondContact O-CG2 3.29Å; M54-V58 PolarHBondContact O-N 2.81Å; L56-V58 VanDerWaalsContact C-N 3.35Å; L56-V58 PolarHBondContact O-N 2.84Å; V58-M61 PolarHBondContact O-N 3.33Å; V58-R66 HydrophobicContact CG1-CG 4.08Å; V58-F69 HydrophobicContact CB-CB 4.4Å; V58-F69 HydrophobicContact CG1-CB 3.81Å; V58-F69 HydrophobicContact CG2-CB 3.6Å; V58-F69 HydrophobicContact CG2-CG 4.36Å; V58-Q70 HydrophobicContact CG1-CG 3.83Å
59	Q	77.7	Confident	79.7	Confident	139 Å²	139	80.1 Å²	80.1	65%	0.65	39%	0.39	S	S	*	.	H	α-helix	trans	-70.3	-33	176.1	-175	174.6	-23.9	0	0	112.1	S55 L56 E57 M61	S55-Q59 PolarHBondContact O-N 3.13Å; S55-Q59 VanDerWaalsContact O-N 3.15Å; L56-Q59 WeakPolarHBondContact O-CB 3.39Å; L56-Q59 PolarHBondContact O-N 3.4Å; L56-Q59 VanDerWaalsContact O-N 3.08Å; E57-Q59 PolarHBondContact O-N 2.83Å; Q59-M61 VanDerWaalsContact C-N 3.3Å
60	E	76	Confident	79.5	Confident	161 Å²	161	78.8 Å²	78.8	75%	0.752	38%	0.384	S	S	*	.	H	α-helix	trans	-75.9	-17.6	175.4	-64.7	-170.4	177.2	0	0	113	L56 E57	L56-E60 PolarHBondContact O-N 2.96Å; E57-E60 PolarHBondContact O-N 3.42Å
61	M	74.6	Confident	79.1	Confident	43 Å²	43	83.4 Å²	83.4	21%	0.212	41%	0.409	C	S	.	.	S	Bend	trans	-73.5	152.2	179.3	-69.5	-172.7	-154.3	0	0	113.9	F4 E57 V58 Q59 V65 F69	F4-M61 HydrophobicContact CB-CE 4.34Å; F4-M61 HydrophobicContact CD2-CE 3.92Å; F4-M61 HydrophobicContact CG-CE 4.49Å; E57-M61 HydrophobicContact CG-CE 3.7Å; E57-M61 WeakPolarHBondContact O-CG 3.27Å; E57-M61 PolarHBondContact O-N 2.88Å; V58-M61 PolarHBondContact O-N 3.33Å; Q59-M61 VanDerWaalsContact C-N 3.3Å; M61-V65 HydrophobicContact CB-CG2 4.28Å; M61-F69 HydrophobicContact SD-CD2 3.85Å; M61-F69 HydrophobicContact SD-CE2 3.91Å
62	R	70.5	Confident	78.8	Confident	191 Å²	191	87.1 Å²	87.1	72%	0.721	42%	0.423	S	S	*	.			trans	-59.1	144.1	177.1	-65.3	173.1	59.6	-173.3	-1.1	111.9	D64 V65 R66	R62-D64 WeakPolarHBondContact CB-OD1 3.45Å; R62-D64 IonicContact NE-OD1 3.58Å; R62-D64 PolarHBondContact O-N 3.22Å; R62-V65 VanDerWaalsContact O-CG2 3.31Å; R62-V65 WeakPolarHBondContact O-CG2 3.47Å; R62-V65 PolarHBondContact O-N 3.19Å; R62-R66 PolarHBondContact O-N 3.08Å; R62-R66 VanDerWaalsContact O-N 3.1Å
63	S	69.2	Low	78.6	Confident	88 Å²	88	81.3 Å²	81.3	62%	0.615	40%	0.395	S	S	*	.	H	α-helix	trans	-57.1	-25.3	-171.4	59.5	0	0	0	0	115.7
64	D	73.5	Confident	78.4	Confident	98 Å²	98	81.8 Å²	81.8	52%	0.524	40%	0.398	S	S	.	.	H	α-helix	trans	-69.4	-38	-179.4	54.7	-53.9	0	0	0	112.9	R62	R62-D64 WeakPolarHBondContact CB-OD1 3.45Å; R62-D64 IonicContact NE-OD1 3.58Å; R62-D64 PolarHBondContact O-N 3.22Å
65	V	74.6	Confident	78.5	Confident	57 Å²	57	85.6 Å²	85.6	35%	0.345	42%	0.423	S	S	.	.	H	α-helix	trans	-94.3	-23.1	176.7	-79	0	0	0	0	113	M61 R62 S67 K68 F69	M61-V65 HydrophobicContact CB-CG2 4.28Å; R62-V65 VanDerWaalsContact O-CG2 3.31Å; R62-V65 WeakPolarHBondContact O-CG2 3.47Å; R62-V65 PolarHBondContact O-N 3.19Å; V65-S67 VanDerWaalsContact C-N 3.31Å; V65-S67 PolarHBondContact O-N 3.36Å; V65-K68 PolarHBondContact O-N 3.28Å; V65-F69 HydrophobicContact CB-CD2 4.04Å; V65-F69 HydrophobicContact CB-CE2 3.9Å; V65-F69 HydrophobicContact CG1-CE2 4.46Å; V65-F69 VanDerWaalsContact O-CD2 3.24Å; V65-F69 WeakPolarHBondContact O-CD2 3.49Å; V65-F69 PolarHBondContact O-N 2.84Å
66	R	75.9	Confident	78.6	Confident	101 Å²	101	85.1 Å²	85.1	38%	0.381	42%	0.417	S	S	.	.	H	α-helix	trans	-53.7	-44.1	-177.9	-171.7	175.3	71.3	-166.9	2	113	V58 R62 K68 F69 Q70	V58-R66 HydrophobicContact CG1-CG 4.08Å; R62-R66 PolarHBondContact O-N 3.08Å; R62-R66 VanDerWaalsContact O-N 3.1Å; R66-K68 PolarHBondContact O-N 2.76Å; R66-F69 PolarHBondContact O-N 2.92Å; R66-Q70 HydrophobicContact CG-CG 4.05Å; R66-Q70 WeakPolarHBondContact O-CB 3.44Å; R66-Q70 VanDerWaalsContact O-CG 3.3Å; R66-Q70 WeakPolarHBondContact O-CG 3.48Å; R66-Q70 PolarHBondContact O-N 2.89Å
67	S	77.7	Confident	78.6	Confident	64 Å²	64	85 Å²	85	45%	0.448	41%	0.409	S	S	.	.	H	α-helix	trans	-60.4	-42.8	-178.9	60.9	0	0	0	0	113	V65 N71	V65-S67 VanDerWaalsContact C-N 3.31Å; V65-S67 PolarHBondContact O-N 3.36Å; S67-N71 VanDerWaalsContact O-CG 3.3Å; S67-N71 PolarHBondContact O-N 3.48Å; S67-N71 VanDerWaalsContact O-N 3.1Å; S67-N71 PolarHBondContact O-ND2 2.95Å
68	K	78.7	Confident	78.7	Confident	145 Å²	145	88.3 Å²	88.3	63%	0.63	42%	0.422	S	S	*	.	H	α-helix	trans	-63.7	-43.9	177.9	-175.4	-177.3	176.9	-174	0	111.2	V65 R66 R72	V65-K68 PolarHBondContact O-N 3.28Å; R66-K68 PolarHBondContact O-N 2.76Å; K68-R72 PolarHBondContact O-N 3.21Å
69	F	78.7	Confident	78.8	Confident	39 Å²	39	92 Å²	92	17%	0.171	44%	0.439	C	S	.	.	H	α-helix	trans	-75.2	-33.5	-179.3	-69	-63.2	0	0	0	113.1	F4 V58 M61 V65 R66 R72 L73	F4-F69 AromaticContact CD1-CD1 3.79Å; F4-F69 HydrophobicContact CD1-CD1 3.79Å; F4-F69 AromaticContact CD1-CE1 3.34Å; F4-F69 HydrophobicContact CD1-CE1 3.34Å; F4-F69 HydrophobicContact CD1-CZ 4.2Å; F4-F69 HydrophobicContact CD2-CD1 4.1Å; F4-F69 HydrophobicContact CD2-CE1 4.2Å; F4-F69 AromaticContact CE1-CD1 3.34Å; F4-F69 HydrophobicContact CE1-CD1 3.34Å; F4-F69 AromaticContact CE1-CE1 3.34Å; F4-F69 HydrophobicContact CE1-CE1 3.34Å; F4-F69 HydrophobicContact CE2-CB 4.38Å; F4-F69 AromaticContact CE2-CD1 3.67Å; F4-F69 HydrophobicContact CE2-CD1 3.67Å; F4-F69 HydrophobicContact CE2-CE1 4.19Å; F4-F69 HydrophobicContact CE2-CG 4.19Å; F4-F69 HydrophobicContact CG-CD1 4.14Å; F4-F69 AromaticContact CG-CE1 3.8Å; F4-F69 HydrophobicContact CG-CE1 3.8Å; F4-F69 HydrophobicContact CG-CZ 4.35Å; F4-F69 HydrophobicContact CZ-CB 4.4Å; F4-F69 AromaticContact CZ-CD1 3.27Å; F4-F69 HydrophobicContact CZ-CD1 3.27Å; F4-F69 AromaticContact CZ-CE1 3.78Å; F4-F69 HydrophobicContact CZ-CE1 3.78Å; F4-F69 HydrophobicContact CZ-CG 4.15Å; V58-F69 HydrophobicContact CB-CB 4.4Å; V58-F69 HydrophobicContact CG1-CB 3.81Å; V58-F69 HydrophobicContact CG2-CB 3.6Å; V58-F69 HydrophobicContact CG2-CG 4.36Å; M61-F69 HydrophobicContact SD-CD2 3.85Å; M61-F69 HydrophobicContact SD-CE2 3.91Å; V65-F69 HydrophobicContact CB-CD2 4.04Å; V65-F69 HydrophobicContact CB-CE2 3.9Å; V65-F69 HydrophobicContact CG1-CE2 4.46Å; V65-F69 VanDerWaalsContact O-CD2 3.24Å; V65-F69 WeakPolarHBondContact O-CD2 3.49Å; V65-F69 PolarHBondContact O-N 2.84Å; R66-F69 PolarHBondContact O-N 2.92Å; F69-R72 WeakPolarHBondContact O-CB 3.27Å; F69-R72 PolarHBondContact O-N 3.4Å; F69-L73 WeakPolarHBondContact O-CB 3.32Å; F69-L73 PolarHBondContact O-N 3.37Å
70	Q	82.4	Confident	79.1	Confident	94 Å²	94	86.4 Å²	86.4	44%	0.439	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-47.9	172.6	-79.2	-177.1	-42.3	0	0	111.8	V58 R66 R72 L73 E74	V58-Q70 HydrophobicContact CG1-CG 3.83Å; R66-Q70 HydrophobicContact CG-CG 4.05Å; R66-Q70 WeakPolarHBondContact O-CB 3.44Å; R66-Q70 VanDerWaalsContact O-CG 3.3Å; R66-Q70 WeakPolarHBondContact O-CG 3.48Å; R66-Q70 PolarHBondContact O-N 2.89Å; Q70-R72 PolarHBondContact O-N 2.89Å; Q70-L73 WeakPolarHBondContact O-CB 3.33Å; Q70-L73 PolarHBondContact O-N 2.89Å; Q70-L73 VanDerWaalsContact O-N 3.16Å; Q70-E74 PolarHBondContact O-N 3.29Å
71	N	80.8	Confident	79.4	Confident	103 Å²	103	84.9 Å²	84.9	55%	0.551	41%	0.406	S	S	*	.	H	α-helix	trans	-57.7	-38.2	175.5	-71.2	-14.1	0	0	0	111.5	S67 E74 C75	S67-N71 VanDerWaalsContact O-CG 3.3Å; S67-N71 PolarHBondContact O-N 3.48Å; S67-N71 VanDerWaalsContact O-N 3.1Å; S67-N71 PolarHBondContact O-ND2 2.95Å; N71-E74 PolarHBondContact O-N 3.36Å; N71-C75 PolarHBondContact O-N 3.41Å; N71-C75 VanDerWaalsContact O-N 3.11Å; N71-C75 PolarHBondContact O-SG 3.34Å
72	R	80.2	Confident	79.7	Confident	87 Å²	87	89.6 Å²	89.6	33%	0.328	43%	0.426	S	S	.	.	H	α-helix	trans	-70.1	-40	178.9	-159.8	170.4	-172.8	179.1	3.9	112.4	E8 K68 F69 Q70 E74 C75 Y76	E8-R72 VanDerWaalsContact CD-NH1 3.28Å; E8-R72 IonicContact OE1-CZ 2.64Å; E8-R72 IonicContact OE1-NH1 3.56Å; E8-R72 PolarHBondContact OE1-NH1 3.32Å; E8-R72 IonicContact OE1-NH2 3.84Å; E8-R72 PolarHBondContact OE1-NH2 3.47Å; E8-R72 IonicContact OE2-CZ 3.27Å; E8-R72 IonicContact OE2-NH1 3.63Å; E8-R72 PolarHBondContact OE2-NH1 3.44Å; E8-R72 IonicContact OE2-NH2 2.85Å; E8-R72 PolarHBondContact OE2-NH2 2.88Å; K68-R72 PolarHBondContact O-N 3.21Å; F69-R72 WeakPolarHBondContact O-CB 3.27Å; F69-R72 PolarHBondContact O-N 3.4Å; Q70-R72 PolarHBondContact O-N 2.89Å; R72-E74 VanDerWaalsContact C-N 3.33Å; R72-C75 WeakPolarHBondContact O-CB 3.36Å; R72-C75 PolarHBondContact O-N 2.91Å; R72-Y76 HydrophobicContact CG-CE2 3.9Å; R72-Y76 PolarHBondContact NE-OH 2.98Å; R72-Y76 PolarHBondContact NH2-OH 2.64Å; R72-Y76 WeakPolarHBondContact O-CD2 3.36Å; R72-Y76 PolarHBondContact O-N 2.86Å
73	L	83.5	Confident	80	Confident	5 Å²	5	81.9 Å²	81.9	3%	0.026	40%	0.398	C	S	.	.	H	α-helix	trans	-64.2	-38.6	174.6	-167.6	73.3	0	0	0	111.7	I51 M54 F69 Q70 C75 Y76 R77	I51-L73 HydrophobicContact CG2-CD1 3.87Å; I51-L73 HydrophobicContact CG2-CG 4.39Å; M54-L73 HydrophobicContact CB-CD1 3.83Å; M54-L73 HydrophobicContact CE-CD1 4.09Å; F69-L73 WeakPolarHBondContact O-CB 3.32Å; F69-L73 PolarHBondContact O-N 3.37Å; Q70-L73 WeakPolarHBondContact O-CB 3.33Å; Q70-L73 PolarHBondContact O-N 2.89Å; Q70-L73 VanDerWaalsContact O-N 3.16Å; L73-C75 VanDerWaalsContact C-N 3.32Å; L73-C75 PolarHBondContact O-N 3.37Å; L73-Y76 PolarHBondContact O-N 2.9Å; L73-R77 WeakPolarHBondContact O-CG 3.35Å; L73-R77 PolarHBondContact O-N 3.46Å
74	E	83.3	Confident	80.5	Confident	102 Å²	102	79.4 Å²	79.4	48%	0.477	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-39.4	171.8	-74.6	-159.6	160.5	0	0	112.3	Q70 N71 R72 R77 K78	Q70-E74 PolarHBondContact O-N 3.29Å; N71-E74 PolarHBondContact O-N 3.36Å; R72-E74 VanDerWaalsContact C-N 3.33Å; E74-R77 PolarHBondContact O-N 3.45Å; E74-K78 WeakPolarHBondContact O-CG 3.36Å; E74-K78 PolarHBondContact O-N 3.26Å
75	C	84.8	Confident	80.5	Confident	80 Å²	80	78.6 Å²	78.6	54%	0.541	38%	0.378	S	S	.	.	H	α-helix	trans	-60.3	-45.9	173.1	-67.8	0	0	0	0	111.5	N71 R72 L73 R77 K78 E79	N71-C75 PolarHBondContact O-N 3.41Å; N71-C75 VanDerWaalsContact O-N 3.11Å; N71-C75 PolarHBondContact O-SG 3.34Å; R72-C75 WeakPolarHBondContact O-CB 3.36Å; R72-C75 PolarHBondContact O-N 2.91Å; L73-C75 VanDerWaalsContact C-N 3.32Å; L73-C75 PolarHBondContact O-N 3.37Å; C75-R77 PolarHBondContact O-N 2.97Å; C75-K78 PolarHBondContact O-N 3.33Å; C75-E79 WeakPolarHBondContact O-CB 3.29Å; C75-E79 PolarHBondContact O-N 2.89Å
76	Y	83.7	Confident	80.4	Confident	23 Å²	23	79 Å²	79	9%	0.09	38%	0.376	C	S	.	.	H	α-helix	trans	-64.3	-36.8	177.8	-64.1	-32.6	0	0	0	113.1	Y11 M54 R72 L73 E79 L80	Y11-Y76 AromaticContact CD1-CD1 3.71Å; Y11-Y76 HydrophobicContact CD1-CD1 3.71Å; Y11-Y76 HydrophobicContact CD1-CD2 4.46Å; Y11-Y76 AromaticContact CD1-CE1 3.69Å; Y11-Y76 HydrophobicContact CD1-CE1 3.69Å; Y11-Y76 HydrophobicContact CD1-CE2 4.44Å; Y11-Y76 HydrophobicContact CD1-CG 4.11Å; Y11-Y76 AromaticContact CE1-CD1 3.11Å; Y11-Y76 HydrophobicContact CE1-CD1 3.11Å; Y11-Y76 HydrophobicContact CE1-CD2 4.48Å; Y11-Y76 AromaticContact CE1-CE1 3.48Å; Y11-Y76 HydrophobicContact CE1-CE1 3.48Å; Y11-Y76 VanDerWaalsContact CE1-CE1 3.48Å; Y11-Y76 AromaticContact CE1-CG 3.7Å; Y11-Y76 HydrophobicContact CE1-CG 3.7Å; Y11-Y76 HydrophobicContact CE2-CD1 4.37Å; Y11-Y76 HydrophobicContact CE2-CG 4.16Å; Y11-Y76 AromaticContact CZ-CD1 3.5Å; Y11-Y76 AromaticContact CZ-CG 3.71Å; Y11-Y76 WeakPolarHBondContact OH-CA 3.44Å; Y11-Y76 PolarHBondContact OH-O 2.89Å; M54-Y76 HydrophobicContact CE-CD2 3.82Å; M54-Y76 HydrophobicContact CE-CE2 3.77Å; R72-Y76 HydrophobicContact CG-CE2 3.9Å; R72-Y76 PolarHBondContact NE-OH 2.98Å; R72-Y76 PolarHBondContact NH2-OH 2.64Å; R72-Y76 WeakPolarHBondContact O-CD2 3.36Å; R72-Y76 PolarHBondContact O-N 2.86Å; L73-Y76 PolarHBondContact O-N 2.9Å; Y76-E79 PolarHBondContact O-N 3.49Å; Y76-L80 WeakPolarHBondContact O-CB 3.43Å; Y76-L80 PolarHBondContact O-N 3.27Å
77	R	85	Confident	80.1	Confident	108 Å²	108	75.9 Å²	75.9	41%	0.408	37%	0.366	S	S	.	.	H	α-helix	trans	-63.5	-47.5	172.8	-75.5	179.6	178.7	142.9	3.3	111.9	I51 S55 L73 E74 C75 E79 L80 E81	I51-R77 HydrophobicContact CG2-CG 3.87Å; S55-R77 PolarHBondContact OG-NH2 3.49Å; S55-R77 VanDerWaalsContact OG-NH2 3.1Å; L73-R77 WeakPolarHBondContact O-CG 3.35Å; L73-R77 PolarHBondContact O-N 3.46Å; E74-R77 PolarHBondContact O-N 3.45Å; C75-R77 PolarHBondContact O-N 2.97Å; R77-E79 VanDerWaalsContact C-N 3.31Å; R77-E79 PolarHBondContact O-N 3.35Å; R77-L80 PolarHBondContact O-N 3.21Å; R77-E81 WeakPolarHBondContact O-CB 3.49Å; R77-E81 PolarHBondContact O-N 3.03Å
78	K	83.4	Confident	79.5	Confident	123 Å²	123	82.7 Å²	82.7	54%	0.535	38%	0.382	S	S	.	.	H	α-helix	trans	-64	-36.5	178	-73	176.6	-177.2	172.8	0	112	E74 C75 K82	E74-K78 WeakPolarHBondContact O-CG 3.36Å; E74-K78 PolarHBondContact O-N 3.26Å; C75-K78 PolarHBondContact O-N 3.33Å; K78-K82 VanDerWaalsContact O-CG 3.3Å; K78-K82 WeakPolarHBondContact O-CG 3.38Å; K78-K82 PolarHBondContact O-N 2.85Å
79	E	81.4	Confident	78.8	Confident	82 Å²	82	81.9 Å²	81.9	38%	0.383	38%	0.375	S	S	.	.	H	α-helix	trans	-66.2	-46.6	174.6	-176.2	166.9	-165.1	0	0	111.3	C75 Y76 R77 E81 K82 L83	C75-E79 WeakPolarHBondContact O-CB 3.29Å; C75-E79 PolarHBondContact O-N 2.89Å; Y76-E79 PolarHBondContact O-N 3.49Å; R77-E79 VanDerWaalsContact C-N 3.31Å; R77-E79 PolarHBondContact O-N 3.35Å; E79-E81 VanDerWaalsContact C-N 3.32Å; E79-E81 PolarHBondContact O-N 2.86Å; E79-K82 WeakPolarHBondContact O-CB 3.46Å; E79-K82 PolarHBondContact O-N 2.82Å; E79-L83 HydrophobicContact CG-CD1 4Å; E79-L83 WeakPolarHBondContact O-CD1 3.38Å; E79-L83 PolarHBondContact O-N 2.98Å
80	L	82.4	Confident	77.6	Confident	20 Å²	20	85.3 Å²	85.3	11%	0.105	40%	0.401	C	S	.	.	H	α-helix	trans	-62.7	-37.3	176.3	-171.6	127.5	0	0	0	112.6	F44 T47 K48 I51 Y76 R77 L83 T84	F44-L80 HydrophobicContact CD1-CD1 4.4Å; F44-L80 HydrophobicContact CD1-CG 4.31Å; T47-L80 HydrophobicContact CG2-CD1 3.37Å; K48-L80 HydrophobicContact CG-CD1 4.35Å; K48-L80 HydrophobicContact CG-CD2 3.77Å; I51-L80 HydrophobicContact CD1-CB 4.23Å; I51-L80 HydrophobicContact CD1-CD1 3.95Å; Y76-L80 WeakPolarHBondContact O-CB 3.43Å; Y76-L80 PolarHBondContact O-N 3.27Å; R77-L80 PolarHBondContact O-N 3.21Å; L80-L83 PolarHBondContact O-N 2.97Å; L80-T84 WeakPolarHBondContact O-CB 3.36Å; L80-T84 PolarHBondContact O-N 3.48Å; L80-T84 PolarHBondContact O-OG1 3.26Å
81	E	83.1	Confident	76.2	Confident	129 Å²	129	90.3 Å²	90.3	60%	0.603	42%	0.416	S	S	*	.	H	α-helix	trans	-64.4	-41.4	174.3	-171.4	179.9	-173	0	0	111.9	R77 E79 T84 T85	R77-E81 WeakPolarHBondContact O-CB 3.49Å; R77-E81 PolarHBondContact O-N 3.03Å; E79-E81 VanDerWaalsContact C-N 3.32Å; E79-E81 PolarHBondContact O-N 2.86Å; E81-T84 PolarHBondContact O-N 3.41Å; E81-T85 WeakPolarHBondContact O-CG2 3.25Å; E81-T85 PolarHBondContact O-N 3.3Å; E81-T85 PolarHBondContact O-OG1 3.14Å
82	K	81.2	Confident	74.9	Confident	143 Å²	143	86.8 Å²	86.8	62%	0.622	40%	0.395	S	S	*	.	H	α-helix	trans	-61.7	-45.3	172.2	-74.3	174	-179.5	-177.6	0	111.8	K78 E79 T84 T85 E86	K78-K82 VanDerWaalsContact O-CG 3.3Å; K78-K82 WeakPolarHBondContact O-CG 3.38Å; K78-K82 PolarHBondContact O-N 2.85Å; E79-K82 WeakPolarHBondContact O-CB 3.46Å; E79-K82 PolarHBondContact O-N 2.82Å; K82-T84 VanDerWaalsContact C-N 3.31Å; K82-T84 PolarHBondContact O-N 2.92Å; K82-T85 WeakPolarHBondContact CA-OG1 3.39Å; K82-T85 PolarHBondContact O-N 2.89Å; K82-T85 PolarHBondContact O-OG1 3.44Å; K82-E86 WeakPolarHBondContact O-CG 3.42Å; K82-E86 PolarHBondContact O-N 3.39Å
83	L	76.8	Confident	73.5	Confident	28 Å²	28	85.2 Å²	85.2	15%	0.147	40%	0.4	C	S	.	.	H	α-helix	trans	-64.6	-37.9	177.4	-91	71.5	0	0	0	111.4	T15 I18 F44 E79 L80 E86 F87	T15-L83 HydrophobicContact CG2-CD2 4.04Å; I18-L83 HydrophobicContact CB-CD2 4.36Å; I18-L83 HydrophobicContact CG2-CD2 3.8Å; F44-L83 HydrophobicContact CE1-CB 3.65Å; F44-L83 HydrophobicContact CZ-CB 3.77Å; E79-L83 HydrophobicContact CG-CD1 4Å; E79-L83 WeakPolarHBondContact O-CD1 3.38Å; E79-L83 PolarHBondContact O-N 2.98Å; L80-L83 PolarHBondContact O-N 2.97Å; L83-E86 PolarHBondContact O-N 2.88Å; L83-F87 WeakPolarHBondContact O-CB 3.24Å; L83-F87 PolarHBondContact O-N 3.26Å
84	T	78.7	Confident	71.9	Confident	37 Å²	37	88.9 Å²	88.9	23%	0.227	42%	0.423	C	S	.	.	H	α-helix	trans	-66.5	-41.6	177.4	-57.5	0	0	0	0	111.9	L80 E81 K82 F87 R88	L80-T84 WeakPolarHBondContact O-CB 3.36Å; L80-T84 PolarHBondContact O-N 3.48Å; L80-T84 PolarHBondContact O-OG1 3.26Å; E81-T84 PolarHBondContact O-N 3.41Å; K82-T84 VanDerWaalsContact C-N 3.31Å; K82-T84 PolarHBondContact O-N 2.92Å; T84-F87 PolarHBondContact O-N 3.1Å; T84-R88 PolarHBondContact O-N 3.18Å
85	T	75.2	Confident	70.1	Confident	80 Å²	80	95 Å²	95	49%	0.491	44%	0.442	S	S	.	.	H	α-helix	trans	-68.7	-37.9	176.8	47.6	0	0	0	0	112	E81 K82 R88	E81-T85 WeakPolarHBondContact O-CG2 3.25Å; E81-T85 PolarHBondContact O-N 3.3Å; E81-T85 PolarHBondContact O-OG1 3.14Å; K82-T85 WeakPolarHBondContact CA-OG1 3.39Å; K82-T85 PolarHBondContact O-N 2.89Å; K82-T85 PolarHBondContact O-OG1 3.44Å; T85-R88 PolarHBondContact O-N 3.46Å
86	E	71.8	Confident	68.2	Low	65 Å²	65	102.3 Å²	102.3	30%	0.304	46%	0.458	S	S	.	.	H	α-helix	trans	-60.8	-45.3	169.9	-73.7	-62.9	147.7	0	0	111.1	L22 K82 L83 R88 R89 Y92	L22-E86 HydrophobicContact CD2-CB 4.38Å; K82-E86 WeakPolarHBondContact O-CG 3.42Å; K82-E86 PolarHBondContact O-N 3.39Å; L83-E86 PolarHBondContact O-N 2.88Å; E86-R88 VanDerWaalsContact C-N 3.31Å; E86-R88 PolarHBondContact O-N 2.63Å; E86-R89 VanDerWaalsContact O-CB 3.26Å; E86-R89 WeakPolarHBondContact O-CB 3.44Å; E86-R89 WeakPolarHBondContact O-CG 3.5Å; E86-R89 PolarHBondContact O-N 3.47Å; E86-R89 IonicContact OE1-CZ 3.2Å; E86-R89 IonicContact OE1-NE 3.66Å; E86-R89 IonicContact OE1-NH1 3.25Å; E86-R89 PolarHBondContact OE1-NH1 3.27Å; E86-R89 IonicContact OE1-NH2 3.82Å; E86-R89 PolarHBondContact OE1-NH2 3.47Å; E86-R89 WeakPolarHBondContact OE2-CD 3.24Å; E86-R89 IonicContact OE2-CZ 3.19Å; E86-R89 IonicContact OE2-NE 2.76Å; E86-R89 PolarHBondContact OE2-NE 3.1Å; E86-R89 IonicContact OE2-NH1 2.72Å; E86-R89 PolarHBondContact OE2-NH1 3.11Å; E86-R89 IonicContact OE2-NH2 2.63Å; E86-Y92 WeakPolarHBondContact O-CD2 2.99Å; E86-Y92 WeakPolarHBondContact O-CE2 3.05Å
87	F	68.6	Low	66.4	Low	36 Å²	36	106.1 Å²	106.1	16%	0.158	49%	0.485	C	S	.	.	H	α-helix	trans	-64.5	-28.8	176.8	-176.8	-102.6	0	0	0	113.9	L22 I25 V37 V40 F44 L83 T84 R89 Y92	L22-F87 HydrophobicContact CD1-CB 4.31Å; L22-F87 HydrophobicContact CD1-CD2 3.77Å; I25-F87 HydrophobicContact CD1-CE2 4.29Å; V37-F87 HydrophobicContact CB-CE2 4.45Å; V37-F87 HydrophobicContact CB-CZ 4.34Å; V37-F87 HydrophobicContact CG1-CE1 4.47Å; V37-F87 HydrophobicContact CG1-CE2 4.03Å; V37-F87 HydrophobicContact CG1-CZ 3.53Å; V37-F87 HydrophobicContact CG2-CE2 4.49Å; V37-F87 WeakPolarHBondContact O-CZ 3.4Å; V40-F87 HydrophobicContact CB-CE2 3.88Å; V40-F87 HydrophobicContact CB-CZ 4.45Å; V40-F87 HydrophobicContact CG1-CD2 3.64Å; V40-F87 HydrophobicContact CG1-CE2 3.44Å; V40-F87 VanDerWaalsContact CG1-CE2 3.44Å; V40-F87 HydrophobicContact CG1-CG 4.48Å; V40-F87 HydrophobicContact CG1-CZ 4.15Å; F44-F87 HydrophobicContact CE2-CB 3.91Å; F44-F87 HydrophobicContact CE2-CD1 4.42Å; F44-F87 HydrophobicContact CE2-CD2 4.21Å; F44-F87 AromaticContact CE2-CG 3.94Å; F44-F87 HydrophobicContact CE2-CG 3.94Å; F44-F87 HydrophobicContact CZ-CB 4.18Å; L83-F87 WeakPolarHBondContact O-CB 3.24Å; L83-F87 PolarHBondContact O-N 3.26Å; T84-F87 PolarHBondContact O-N 3.1Å; F87-R89 PolarHBondContact O-N 3.04Å; F87-Y92 WeakPolarHBondContact O-CB 3.35Å
88	R	66.4	Low	64.4	Low	208 Å²	208	108.8 Å²	108.8	79%	0.785	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.7	173.2	-83.9	-173.5	177.4	177.7	1	113.7	T84 T85 E86	T84-R88 PolarHBondContact O-N 3.18Å; T85-R88 PolarHBondContact O-N 3.46Å; E86-R88 VanDerWaalsContact C-N 3.31Å; E86-R88 PolarHBondContact O-N 2.63Å
89	R	63.6	Low	62.5	Low	128 Å²	128	114.1 Å²	114.1	48%	0.483	53%	0.525	S	S	.	.	S	Bend	trans	-60.3	145.8	-179.9	-71.4	-173.7	171.8	163.8	4.5	110.7	E86 F87 R91 Y92 A93	E86-R89 VanDerWaalsContact O-CB 3.26Å; E86-R89 WeakPolarHBondContact O-CB 3.44Å; E86-R89 WeakPolarHBondContact O-CG 3.5Å; E86-R89 PolarHBondContact O-N 3.47Å; E86-R89 IonicContact OE1-CZ 3.2Å; E86-R89 IonicContact OE1-NE 3.66Å; E86-R89 IonicContact OE1-NH1 3.25Å; E86-R89 PolarHBondContact OE1-NH1 3.27Å; E86-R89 IonicContact OE1-NH2 3.82Å; E86-R89 PolarHBondContact OE1-NH2 3.47Å; E86-R89 WeakPolarHBondContact OE2-CD 3.24Å; E86-R89 IonicContact OE2-CZ 3.19Å; E86-R89 IonicContact OE2-NE 2.76Å; E86-R89 PolarHBondContact OE2-NE 3.1Å; E86-R89 IonicContact OE2-NH1 2.72Å; E86-R89 PolarHBondContact OE2-NH1 3.11Å; E86-R89 IonicContact OE2-NH2 2.63Å; F87-R89 PolarHBondContact O-N 3.04Å; R89-R91 PolarHBondContact O-N 3.3Å; R89-Y92 HydrophobicContact CB-CD2 4.1Å; R89-Y92 HydrophobicContact CB-CE2 4.34Å; R89-Y92 PolarHBondContact O-N 3.25Å; R89-A93 PolarHBondContact O-N 3.24Å
90	P	53.2	Low	60.5	Low	111 Å²	111	118.7 Å²	118.7	72%	0.721	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-22.4	179.8	-25.8	32.5	0	0	0	114.6	Y92 A93	P90-Y92 PolarHBondContact O-N 3.24Å; P90-Y92 VanDerWaalsContact O-N 3.11Å; P90-A93 PolarHBondContact O-N 3.19Å
91	R	53.9	Low	58.4	Low	198 Å²	198	124.8 Å²	124.8	75%	0.747	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-16.4	171.5	-65.8	-165	-176.2	-152.1	3	113.4	R33 R89	R33-R91 PolarHBondContact NH2-O 2.72Å; R89-R91 PolarHBondContact O-N 3.3Å
92	Y	52.1	Low	56.5	Low	30 Å²	30	124.5 Å²	124.5	12%	0.118	59%	0.588	C	S	.	*	T	Hydrogen-bonded Turn	trans	-117.5	-16.4	178.5	-53.8	-73.2	0	0	0	113.1	L22 I25 P26 E86 F87 R89 P90 V94	L22-Y92 HydrophobicContact CD1-CD1 3.6Å; L22-Y92 HydrophobicContact CD1-CD2 4.33Å; L22-Y92 HydrophobicContact CD1-CE1 3.29Å; L22-Y92 HydrophobicContact CD1-CE2 4.05Å; L22-Y92 HydrophobicContact CD1-CG 4.13Å; L22-Y92 HydrophobicContact CG-CD1 4.48Å; L22-Y92 HydrophobicContact CG-CE1 3.69Å; L22-Y92 HydrophobicContact CG-CE2 4.49Å; L22-Y92 WeakPolarHBondContact O-CE1 3.31Å; I25-Y92 HydrophobicContact CB-CD1 4.1Å; I25-Y92 HydrophobicContact CB-CE1 4.3Å; I25-Y92 HydrophobicContact CD1-CD1 4.3Å; I25-Y92 HydrophobicContact CG2-CD1 3.63Å; I25-Y92 HydrophobicContact CG2-CE1 4.22Å; P26-Y92 HydrophobicContact CG-CE1 4.25Å; E86-Y92 WeakPolarHBondContact O-CD2 2.99Å; E86-Y92 WeakPolarHBondContact O-CE2 3.05Å; F87-Y92 WeakPolarHBondContact O-CB 3.35Å; R89-Y92 HydrophobicContact CB-CD2 4.1Å; R89-Y92 HydrophobicContact CB-CE2 4.34Å; R89-Y92 PolarHBondContact O-N 3.25Å; P90-Y92 PolarHBondContact O-N 3.24Å; P90-Y92 VanDerWaalsContact O-N 3.11Å; Y92-V94 PolarHBondContact O-N 3.25Å
93	A	51	Low	54.8	Low	53 Å²	53	128.3 Å²	128.3	44%	0.438	60%	0.6	S	S	.	*	S	Bend	trans	-61.8	124.2	174.7	0	0	0	0	0	110.6	R33 R89 P90 R95	R33-A93 PolarHBondContact NH2-O 3.45Å; R33-A93 VanDerWaalsContact NH2-O 3.1Å; R89-A93 PolarHBondContact O-N 3.24Å; P90-A93 PolarHBondContact O-N 3.19Å; A93-R95 PolarHBondContact O-N 3.38Å
94	V	50.2	Low	53.2	Low	82 Å²	82	130.7 Å²	130.7	50%	0.497	63%	0.631	S	S	.	*			trans	-61.5	108.2	170.4	177.6	0	0	0	0	106.9	A34 V37 Y92 R96	A34-V94 HydrophobicContact CB-CG2 4.29Å; V37-V94 HydrophobicContact CG1-CG2 4.38Å; Y92-V94 PolarHBondContact O-N 3.25Å; V94-R96 PolarHBondContact O-N 3.06Å
95	R	45.2	Very low	51.3	Low	232 Å²	232	137.9 Å²	137.9	88%	0.875	66%	0.66	S	S	*	*			trans	-66.1	97.7	176.7	-149.6	179.9	-169.2	-162.1	2.4	106.9	A93 P97	A93-R95 PolarHBondContact O-N 3.38Å; R95-P97 WeakPolarHBondContact O-CD 3.3Å
96	R	45	Very low	49.5	Very low	232 Å²	232	139.2 Å²	139.2	88%	0.875	66%	0.664	S	S	*	*			trans	-60.7	123	169.9	-92.4	-172.5	-178.9	-150	1.1	107	V94 D98	V94-R96 PolarHBondContact O-N 3.06Å; R96-D98 PolarHBondContact O-N 3.44Å; R96-D98 VanDerWaalsContact O-N 3.14Å
97	P	46.1	Very low	48.1	Very low	103 Å²	103	142.7 Å²	142.7	67%	0.669	69%	0.685	S	S	*	*			trans	-69.2	112	169.6	26.7	-28.3	0	0	0	107.5	R95 R99	R95-P97 WeakPolarHBondContact O-CD 3.3Å; P97-R99 PolarHBondContact O-N 2.58Å
98	D	43.1	Very low	46.9	Very low	165 Å²	165	149.9 Å²	149.9	88%	0.882	72%	0.719	S	S	*	*			trans	-56	104	165.2	-112.5	-24.2	0	0	0	107.7	R96 K100	R96-D98 PolarHBondContact O-N 3.44Å; R96-D98 VanDerWaalsContact O-N 3.14Å; D98-K100 PolarHBondContact O-N 3.39Å
99	R	43.7	Very low	45.7	Very low	235 Å²	235	146 Å²	146	89%	0.887	71%	0.714	S	S	*	*			trans	-90.9	84.3	166.7	-80.4	-173.7	173.2	121.4	-4.4	107.3	P97	P97-R99 PolarHBondContact O-N 2.58Å
100	K	39.7	Very low	44.8	Very low	178 Å²	178	145.7 Å²	145.7	77%	0.774	72%	0.721	S	S	*	*			trans	-97.4	137.1	157.6	-162.4	162.8	-178.1	173.7	0	105.9	D98	D98-K100 PolarHBondContact O-N 3.39Å
101	D	38.6	Very low	44.7	Very low	148 Å²	148	148.2 Å²	148.2	79%	0.791	73%	0.728	S	S	*	*			trans	127.8	101.9	164.6	-59.6	-14.9	0	0	0	112.9
102	S	42.6	Very low	44.6	Very low	123 Å²	123	144.3 Å²	144.3	86%	0.86	72%	0.718	S	S	*	*			trans	-152.5	92.3	142.1	-168.2	0	0	0	0	107.6
103	Y	44.6	Very low	44.5	Very low	222 Å²	222	148.6 Å²	148.6	87%	0.871	74%	0.739	S	S	*	*			trans	-61.3	126.2	166.2	-100.3	-105.3	0	0	0	109.2
104	G	44.2	Very low	44.5	Very low	78 Å²	78	154.4 Å²	154.4	80%	0.804	76%	0.757	S	S	*	*			trans	-95.7	134.1	164.2	0	0	0	0	0	109
105	F	39.4	Very low	44.9	Very low	188 Å²	188	154.4 Å²	154.4	83%	0.825	76%	0.757	S	S	*	*			trans	-114	156.3	-171.1	-169.7	-113.2	0	0	0	109.3
106	D	37.6	Very low	45.5	Very low	108 Å²	108	147 Å²	147	58%	0.578	74%	0.735	S	S	*	*			trans	94.1	117	160.2	-75.8	-21.6	0	0	0	123.9
107	D	41.5	Very low	46.2	Very low	139 Å²	139	142.6 Å²	142.6	74%	0.743	72%	0.722	S	S	*	*			trans	76.2	95.6	130.7	-69.7	-22.8	0	0	0	121.7
108	E	43	Very low	47.2	Very low	187 Å²	187	142.9 Å²	142.9	87%	0.874	72%	0.718	S	S	*	*				-165.8	115.6	116.3	-123.8	-177.2	154.1	0	0	110.8
109	D	42.1	Very low	48.7	Very low	126 Å²	126	138.2 Å²	138.2	67%	0.674	70%	0.696	S	S	*	*			trans	-103.4	147	-161.6	-170.4	29.9	0	0	0	112
110	N	44.4	Very low	50.3	Low	121 Å²	121	131.7 Å²	131.7	65%	0.647	68%	0.679	S	S	*	*	S	Bend	trans	97.3	-5.8	168.8	-58.8	-70.5	0	0	0	122.2
111	L	51.5	Low	52	Low	165 Å²	165	129 Å²	129	86%	0.864	67%	0.67	S	S	*	*	S	Bend	trans	-113.8	-5.9	159.2	-86.7	137.3	0	0	0	112.6
112	H	50.8	Low	54	Low	115 Å²	115	130 Å²	130	53%	0.532	66%	0.663	S	S	.	*	S	Bend	trans	-88.1	-20.4	-177	-120.4	60.2	0	0	0	113.4	E114 V115 L116	H112-E114 PolarHBondContact O-N 2.94Å; H112-V115 PolarHBondContact O-N 3.34Å; H112-L116 HydrophobicContact CB-CD1 3.94Å; H112-L116 WeakPolarHBondContact O-CB 3.45Å; H112-L116 WeakPolarHBondContact O-CD1 3.35Å; H112-L116 WeakPolarHBondContact O-CG 3.5Å; H112-L116 PolarHBondContact O-N 3.49Å
113	E	49.8	Very low	55.8	Low	120 Å²	120	126.8 Å²	126.8	56%	0.561	64%	0.644	S	S	*	*	H	α-helix	trans	-63	-43.8	-174.1	-169.3	174.4	177.2	0	0	112.8	V115 L116 F117	E113-V115 PolarHBondContact O-N 3.48Å; E113-L116 PolarHBondContact O-N 3.35Å; E113-F117 HydrophobicContact CG-CD2 4.06Å; E113-F117 HydrophobicContact CG-CE2 3.83Å; E113-F117 VanDerWaalsContact O-CD2 3.25Å; E113-F117 WeakPolarHBondContact O-CD2 3.43Å; E113-F117 PolarHBondContact O-N 3Å
114	E	51.8	Low	57.6	Low	175 Å²	175	122.5 Å²	122.5	82%	0.818	63%	0.632	S	S	*	*	H	α-helix	trans	-68.6	-35.5	178	-172.1	172.4	178	0	0	112.5	H112	H112-E114 PolarHBondContact O-N 2.94Å
115	V	57.7	Low	59.6	Low	83 Å²	83	123.8 Å²	123.8	50%	0.503	62%	0.62	S	S	.	*	H	α-helix	trans	-72.6	-36.5	174.3	179.7	0	0	0	0	110.8	H112 E113 D118 T119	H112-V115 PolarHBondContact O-N 3.34Å; E113-V115 PolarHBondContact O-N 3.48Å; V115-D118 PolarHBondContact O-N 2.82Å; V115-T119 HydrophobicContact CG1-CG2 4.13Å; V115-T119 WeakPolarHBondContact O-CB 3.31Å; V115-T119 VanDerWaalsContact O-CG2 3.27Å; V115-T119 WeakPolarHBondContact O-CG2 3.5Å; V115-T119 PolarHBondContact O-N 3.41Å; V115-T119 PolarHBondContact O-OG1 3.18Å; V115-T119 VanDerWaalsContact O-OG1 3.13Å
116	L	58.4	Low	61.9	Low	76 Å²	76	119.9 Å²	119.9	40%	0.398	61%	0.607	S	S	.	*	H	α-helix	trans	-61	-47.4	177.1	-90.9	154.5	0	0	0	110.9	H112 E113 D118 T119 D120	H112-L116 HydrophobicContact CB-CD1 3.94Å; H112-L116 WeakPolarHBondContact O-CB 3.45Å; H112-L116 WeakPolarHBondContact O-CD1 3.35Å; H112-L116 WeakPolarHBondContact O-CG 3.5Å; H112-L116 PolarHBondContact O-N 3.49Å; E113-L116 PolarHBondContact O-N 3.35Å; L116-D118 VanDerWaalsContact C-N 3.34Å; L116-D118 PolarHBondContact O-N 3.27Å; L116-T119 VanDerWaalsContact CA-OG1 3.26Å; L116-T119 WeakPolarHBondContact CA-OG1 3.38Å; L116-T119 CarbonylContact O-C 3.59Å; L116-T119 PolarHBondContact O-N 2.98Å; L116-T119 VanDerWaalsContact O-N 3.16Å; L116-T119 PolarHBondContact O-OG1 2.8Å; L116-D120 WeakPolarHBondContact O-CB 3.17Å; L116-D120 PolarHBondContact O-N 3.29Å
117	F	59.8	Low	64.2	Low	139 Å²	139	116 Å²	116	61%	0.61	59%	0.593	S	S	*	*	H	α-helix	trans	-58.5	-42.2	177.1	-87.1	-74.6	0	0	0	113	E113 M121	E113-F117 HydrophobicContact CG-CD2 4.06Å; E113-F117 HydrophobicContact CG-CE2 3.83Å; E113-F117 VanDerWaalsContact O-CD2 3.25Å; E113-F117 WeakPolarHBondContact O-CD2 3.43Å; E113-F117 PolarHBondContact O-N 3Å; F117-M121 WeakPolarHBondContact O-CB 3.38Å; F117-M121 PolarHBondContact O-N 3.38Å; F117-M121 VanDerWaalsContact O-N 3.08Å
118	D	67.8	Low	66.4	Low	109 Å²	109	112.7 Å²	112.7	58%	0.583	58%	0.575	S	S	*	*	H	α-helix	trans	-69.3	-40.1	176.1	-168.1	53.8	0	0	0	111.7	V115 L116 R122	V115-D118 PolarHBondContact O-N 2.82Å; L116-D118 VanDerWaalsContact C-N 3.34Å; L116-D118 PolarHBondContact O-N 3.27Å; D118-R122 VanDerWaalsContact O-CB 3.28Å; D118-R122 WeakPolarHBondContact O-CB 3.41Å; D118-R122 PolarHBondContact O-N 3.49Å
119	T	74.4	Confident	68.6	Low	67 Å²	67	108 Å²	108	41%	0.411	56%	0.56	S	S	.	*	H	α-helix	trans	-66.7	-37.3	176.6	58.5	0	0	0	0	113.1	V115 L116 R122 A123	V115-T119 HydrophobicContact CG1-CG2 4.13Å; V115-T119 WeakPolarHBondContact O-CB 3.31Å; V115-T119 VanDerWaalsContact O-CG2 3.27Å; V115-T119 WeakPolarHBondContact O-CG2 3.5Å; V115-T119 PolarHBondContact O-N 3.41Å; V115-T119 PolarHBondContact O-OG1 3.18Å; V115-T119 VanDerWaalsContact O-OG1 3.13Å; L116-T119 VanDerWaalsContact CA-OG1 3.26Å; L116-T119 WeakPolarHBondContact CA-OG1 3.38Å; L116-T119 CarbonylContact O-C 3.59Å; L116-T119 PolarHBondContact O-N 2.98Å; L116-T119 VanDerWaalsContact O-N 3.16Å; L116-T119 PolarHBondContact O-OG1 2.8Å; T119-R122 PolarHBondContact O-N 3.19Å; T119-A123 WeakPolarHBondContact O-CB 3.3Å; T119-A123 PolarHBondContact O-N 3.26Å
120	D	77	Confident	70.9	Confident	99 Å²	99	107 Å²	107	53%	0.529	55%	0.55	S	S	.	*	H	α-helix	trans	-69.6	-43	177.9	-81.6	-17.4	0	0	0	111	L116 R122 A123 Q124	L116-D120 WeakPolarHBondContact O-CB 3.17Å; L116-D120 PolarHBondContact O-N 3.29Å; D120-R122 PolarHBondContact O-N 2.92Å; D120-A123 PolarHBondContact O-N 2.91Å; D120-Q124 WeakPolarHBondContact O-CB 3.42Å; D120-Q124 PolarHBondContact O-N 3.16Å
121	M	75.7	Confident	73	Confident	120 Å²	120	109.6 Å²	109.6	59%	0.591	55%	0.551	S	S	*	*	H	α-helix	trans	-63	-43.7	174.9	-171.3	175.8	-66.1	0	0	111	F117 Q124 L125	F117-M121 WeakPolarHBondContact O-CB 3.38Å; F117-M121 PolarHBondContact O-N 3.38Å; F117-M121 VanDerWaalsContact O-N 3.08Å; M121-Q124 PolarHBondContact O-N 2.87Å; M121-L125 HydrophobicContact CG-CD1 4.48Å; M121-L125 WeakPolarHBondContact O-CG 3.39Å; M121-L125 PolarHBondContact O-N 3.17Å
122	R	78.9	Confident	75	Confident	169 Å²	169	106.7 Å²	106.7	64%	0.638	54%	0.536	S	S	*	.	H	α-helix	trans	-64.5	-41.6	175.6	-173.4	174.7	179	154.8	-0.6	112	D118 T119 D120 Q124 L125 L126	D118-R122 VanDerWaalsContact O-CB 3.28Å; D118-R122 WeakPolarHBondContact O-CB 3.41Å; D118-R122 PolarHBondContact O-N 3.49Å; T119-R122 PolarHBondContact O-N 3.19Å; D120-R122 PolarHBondContact O-N 2.92Å; R122-Q124 VanDerWaalsContact C-N 3.32Å; R122-Q124 PolarHBondContact O-N 3.39Å; R122-L125 PolarHBondContact O-N 3.39Å; R122-L126 HydrophobicContact CG-CD1 4.14Å; R122-L126 WeakPolarHBondContact O-CB 3.21Å; R122-L126 VanDerWaalsContact O-CG 3.28Å; R122-L126 WeakPolarHBondContact O-CG 3.38Å; R122-L126 PolarHBondContact O-N 2.92Å
123	A	81.9	Confident	76.9	Confident	57 Å²	57	104.5 Å²	104.5	47%	0.471	53%	0.533	S	S	.	.	H	α-helix	trans	-62.4	-39.8	175.8	0	0	0	0	0	111.4	T119 D120 L126 G127	T119-A123 WeakPolarHBondContact O-CB 3.3Å; T119-A123 PolarHBondContact O-N 3.26Å; D120-A123 PolarHBondContact O-N 2.91Å; A123-L126 PolarHBondContact O-N 3.07Å; A123-G127 PolarHBondContact O-N 2.89Å
124	Q	82.4	Confident	78.9	Confident	131 Å²	131	106 Å²	106	61%	0.612	53%	0.534	S	S	*	.	H	α-helix	trans	-66.1	-42.3	175.5	-169.8	179.5	13.8	0	0	112.4	D120 M121 R122 G127 N128	D120-Q124 WeakPolarHBondContact O-CB 3.42Å; D120-Q124 PolarHBondContact O-N 3.16Å; M121-Q124 PolarHBondContact O-N 2.87Å; R122-Q124 VanDerWaalsContact C-N 3.32Å; R122-Q124 PolarHBondContact O-N 3.39Å; Q124-G127 PolarHBondContact O-N 2.75Å; Q124-N128 WeakPolarHBondContact O-CB 3.46Å; Q124-N128 PolarHBondContact O-N 3.44Å
125	L	85.3	Confident	80.9	Confident	106 Å²	106	101.6 Å²	101.6	56%	0.555	52%	0.519	S	S	*	.	H	α-helix	trans	-66.1	-41.1	176.1	-70.6	173.9	0	0	0	112.3	M121 R122 N128 T129	M121-L125 HydrophobicContact CG-CD1 4.48Å; M121-L125 WeakPolarHBondContact O-CG 3.39Å; M121-L125 PolarHBondContact O-N 3.17Å; R122-L125 PolarHBondContact O-N 3.39Å; L125-N128 PolarHBondContact O-N 3.46Å; L125-T129 WeakPolarHBondContact O-CB 3.44Å; L125-T129 PolarHBondContact O-N 2.69Å; L125-T129 PolarHBondContact O-OG1 3.48Å
126	L	87.3	Confident	82.6	Confident	105 Å²	105	100.6 Å²	100.6	55%	0.55	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-43.8	173.1	-73.7	170.4	0	0	0	111	R122 A123 N128 T129 E130	R122-L126 HydrophobicContact CG-CD1 4.14Å; R122-L126 WeakPolarHBondContact O-CB 3.21Å; R122-L126 VanDerWaalsContact O-CG 3.28Å; R122-L126 WeakPolarHBondContact O-CG 3.38Å; R122-L126 PolarHBondContact O-N 2.92Å; A123-L126 PolarHBondContact O-N 3.07Å; L126-N128 PolarHBondContact O-N 2.94Å; L126-T129 PolarHBondContact O-N 2.96Å; L126-E130 WeakPolarHBondContact O-CB 3.4Å; L126-E130 PolarHBondContact O-N 3.48Å
127	G	87.1	Confident	84.3	Confident	28 Å²	28	100.1 Å²	100.1	29%	0.289	51%	0.514	S	S	.	.	H	α-helix	trans	-62.6	-40.9	176.4	0	0	0	0	0	113	A123 Q124 E130 R131	A123-G127 PolarHBondContact O-N 2.89Å; Q124-G127 PolarHBondContact O-N 2.75Å; G127-E130 PolarHBondContact O-N 2.78Å; G127-R131 WeakPolarHBondContact O-CB 3.46Å; G127-R131 VanDerWaalsContact O-CG 3.26Å; G127-R131 WeakPolarHBondContact O-CG 3.41Å; G127-R131 PolarHBondContact O-N 2.87Å
128	N	87.4	Confident	85.9	Confident	68 Å²	68	100.9 Å²	100.9	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-66.4	-41	174.4	-75.7	-15.6	0	0	0	111.9	Q124 L125 L126 R131 I132	Q124-N128 WeakPolarHBondContact O-CB 3.46Å; Q124-N128 PolarHBondContact O-N 3.44Å; L125-N128 PolarHBondContact O-N 3.46Å; L126-N128 PolarHBondContact O-N 2.94Å; N128-R131 PolarHBondContact O-N 3.15Å; N128-I132 VanDerWaalsContact O-CG1 3.3Å; N128-I132 WeakPolarHBondContact O-CG1 3.31Å; N128-I132 PolarHBondContact O-N 3.03Å
129	T	89	Confident	87.2	Confident	90 Å²	90	101.4 Å²	101.4	55%	0.552	52%	0.519	S	S	*	.	H	α-helix	trans	-63.8	-42.7	176.1	-58.8	0	0	0	0	111.5	L125 L126 I132 S133	L125-T129 WeakPolarHBondContact O-CB 3.44Å; L125-T129 PolarHBondContact O-N 2.69Å; L125-T129 PolarHBondContact O-OG1 3.48Å; L126-T129 PolarHBondContact O-N 2.96Å; T129-I132 PolarHBondContact O-N 2.85Å; T129-S133 WeakPolarHBondContact O-CB 3.31Å; T129-S133 PolarHBondContact O-N 3.23Å
130	E	91	Very high	88.2	Confident	103 Å²	103	103.8 Å²	103.8	48%	0.481	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-40.4	175.7	-175.4	172.9	-168.1	0	0	111.6	L126 G127 S133 R134	L126-E130 WeakPolarHBondContact O-CB 3.4Å; L126-E130 PolarHBondContact O-N 3.48Å; G127-E130 PolarHBondContact O-N 2.78Å; E130-S133 PolarHBondContact O-N 3.43Å; E130-R134 HydrophobicContact CG-CG 4.46Å; E130-R134 WeakPolarHBondContact O-CB 3.46Å; E130-R134 VanDerWaalsContact O-CG 3.23Å; E130-R134 WeakPolarHBondContact O-CG 3.47Å; E130-R134 PolarHBondContact O-N 3.23Å; E130-R134 IonicContact OE1-CZ 2.91Å; E130-R134 VanDerWaalsContact OE1-CZ 3.31Å; E130-R134 IonicContact OE1-NE 2.69Å; E130-R134 PolarHBondContact OE1-NE 2.99Å; E130-R134 IonicContact OE1-NH2 2.66Å; E130-R134 PolarHBondContact OE1-NH2 3.48Å
131	R	88.9	Confident	89	Confident	176 Å²	176	102.3 Å²	102.3	66%	0.664	52%	0.518	S	S	*	.	H	α-helix	trans	-61.3	-44.7	173.7	-75.6	177	69.5	-166.1	2.1	111.8	G127 N128 R134 T135	G127-R131 WeakPolarHBondContact O-CB 3.46Å; G127-R131 VanDerWaalsContact O-CG 3.26Å; G127-R131 WeakPolarHBondContact O-CG 3.41Å; G127-R131 PolarHBondContact O-N 2.87Å; N128-R131 PolarHBondContact O-N 3.15Å; R131-R134 PolarHBondContact O-N 3.11Å; R131-T135 WeakPolarHBondContact O-CG2 3.36Å; R131-T135 PolarHBondContact O-N 3.44Å; R131-T135 PolarHBondContact O-OG1 3.33Å
132	I	92.1	Very high	90	Very high	105 Å²	105	98.5 Å²	98.5	54%	0.538	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-50.2	177.1	-70.7	165.7	0	0	0	110.1	N128 T129 R134 T135 T136	N128-I132 VanDerWaalsContact O-CG1 3.3Å; N128-I132 WeakPolarHBondContact O-CG1 3.31Å; N128-I132 PolarHBondContact O-N 3.03Å; T129-I132 PolarHBondContact O-N 2.85Å; I132-R134 VanDerWaalsContact C-N 3.31Å; I132-R134 PolarHBondContact O-N 3.45Å; I132-T135 WeakPolarHBondContact CA-OG1 3.33Å; I132-T135 PolarHBondContact O-N 3.16Å; I132-T135 PolarHBondContact O-OG1 2.76Å; I132-T136 PolarHBondContact O-N 3.41Å; I132-T136 PolarHBondContact O-OG1 2.97Å; I132-T136 VanDerWaalsContact O-OG1 3.04Å
133	S	91.1	Very high	90.7	Very high	69 Å²	69	94.3 Å²	94.3	48%	0.483	50%	0.502	S	S	.	.	H	α-helix	trans	-54.4	-47.9	177.2	-178.8	0	0	0	0	111.5	T129 E130 T135 T136 T137	T129-S133 WeakPolarHBondContact O-CB 3.31Å; T129-S133 PolarHBondContact O-N 3.23Å; E130-S133 PolarHBondContact O-N 3.43Å; S133-T135 PolarHBondContact O-N 3.2Å; S133-T136 PolarHBondContact O-N 3.19Å; S133-T137 PolarHBondContact O-N 3.45Å; S133-T137 PolarHBondContact O-OG1 3.23Å; S133-T137 VanDerWaalsContact O-OG1 3.12Å
134	R	92.7	Very high	91.4	Very high	150 Å²	150	98 Å²	98	57%	0.566	50%	0.504	S	S	*	.	H	α-helix	trans	-62.2	-39	175.8	-71.7	174.2	-178.2	-159.5	3.5	113	E130 R131 I132 K138	E130-R134 HydrophobicContact CG-CG 4.46Å; E130-R134 WeakPolarHBondContact O-CB 3.46Å; E130-R134 VanDerWaalsContact O-CG 3.23Å; E130-R134 WeakPolarHBondContact O-CG 3.47Å; E130-R134 PolarHBondContact O-N 3.23Å; E130-R134 IonicContact OE1-CZ 2.91Å; E130-R134 VanDerWaalsContact OE1-CZ 3.31Å; E130-R134 IonicContact OE1-NE 2.69Å; E130-R134 PolarHBondContact OE1-NE 2.99Å; E130-R134 IonicContact OE1-NH2 2.66Å; E130-R134 PolarHBondContact OE1-NH2 3.48Å; R131-R134 PolarHBondContact O-N 3.11Å; I132-R134 VanDerWaalsContact C-N 3.31Å; I132-R134 PolarHBondContact O-N 3.45Å; R134-K138 WeakPolarHBondContact O-CB 3.46Å; R134-K138 VanDerWaalsContact O-CG 3.27Å; R134-K138 WeakPolarHBondContact O-CG 3.38Å; R134-K138 PolarHBondContact O-N 3.02Å
135	T	93.5	Very high	92	Very high	83 Å²	83	95.6 Å²	95.6	51%	0.509	50%	0.498	S	S	.	.	H	α-helix	trans	-69.7	-35.4	176.3	50.9	0	0	0	0	112.3	R131 I132 S133 K138 L139	R131-T135 WeakPolarHBondContact O-CG2 3.36Å; R131-T135 PolarHBondContact O-N 3.44Å; R131-T135 PolarHBondContact O-OG1 3.33Å; I132-T135 WeakPolarHBondContact CA-OG1 3.33Å; I132-T135 PolarHBondContact O-N 3.16Å; I132-T135 PolarHBondContact O-OG1 2.76Å; S133-T135 PolarHBondContact O-N 3.2Å; T135-K138 PolarHBondContact O-N 2.71Å; T135-L139 VanDerWaalsContact O-CB 3.31Å; T135-L139 WeakPolarHBondContact O-CB 3.44Å; T135-L139 PolarHBondContact O-N 3.45Å
136	T	93.2	Very high	92.4	Very high	63 Å²	63	93.4 Å²	93.4	39%	0.387	49%	0.494	S	S	.	.	H	α-helix	trans	-64.5	-48.7	175.2	-57.8	0	0	0	0	110.5	I132 S133 K138 L139 E140	I132-T136 PolarHBondContact O-N 3.41Å; I132-T136 PolarHBondContact O-OG1 2.97Å; I132-T136 VanDerWaalsContact O-OG1 3.04Å; S133-T136 PolarHBondContact O-N 3.19Å; T136-K138 VanDerWaalsContact C-N 3.33Å; T136-K138 PolarHBondContact O-N 3.07Å; T136-L139 WeakPolarHBondContact O-CB 3.3Å; T136-L139 PolarHBondContact O-N 3.4Å; T136-L139 VanDerWaalsContact O-N 3.09Å; T136-E140 WeakPolarHBondContact O-CG 3.32Å; T136-E140 PolarHBondContact O-N 3.44Å
137	T	93.6	Very high	92.8	Very high	66 Å²	66	93.2 Å²	93.2	41%	0.405	49%	0.493	S	S	.	.	H	α-helix	trans	-59.8	-43.3	176.1	-51.4	0	0	0	0	111.7	S133 L139 E140 D141	S133-T137 PolarHBondContact O-N 3.45Å; S133-T137 PolarHBondContact O-OG1 3.23Å; S133-T137 VanDerWaalsContact O-OG1 3.12Å; T137-L139 VanDerWaalsContact C-N 3.3Å; T137-L139 PolarHBondContact O-N 2.98Å; T137-E140 PolarHBondContact O-N 2.96Å; T137-D141 WeakPolarHBondContact O-CB 3.47Å; T137-D141 PolarHBondContact O-N 3.31Å
138	K	94.2	Very high	93.1	Very high	155 Å²	155	96.8 Å²	96.8	67%	0.674	50%	0.503	S	S	*	.	H	α-helix	trans	-64.1	-34.2	175.7	-75.2	178.7	-179.9	-175.3	0	113	R134 T135 T136 G142	R134-K138 WeakPolarHBondContact O-CB 3.46Å; R134-K138 VanDerWaalsContact O-CG 3.27Å; R134-K138 WeakPolarHBondContact O-CG 3.38Å; R134-K138 PolarHBondContact O-N 3.02Å; T135-K138 PolarHBondContact O-N 2.71Å; T136-K138 VanDerWaalsContact C-N 3.33Å; T136-K138 PolarHBondContact O-N 3.07Å; K138-G142 PolarHBondContact O-N 3.41Å
139	L	95	Very high	93.4	Very high	120 Å²	120	97.7 Å²	97.7	63%	0.628	51%	0.511	S	S	*	.	H	α-helix	trans	-69.9	-44.5	176.7	-176.6	65.5	0	0	0	110.7	T135 T136 T137 G142 V143	T135-L139 VanDerWaalsContact O-CB 3.31Å; T135-L139 WeakPolarHBondContact O-CB 3.44Å; T135-L139 PolarHBondContact O-N 3.45Å; T136-L139 WeakPolarHBondContact O-CB 3.3Å; T136-L139 PolarHBondContact O-N 3.4Å; T136-L139 VanDerWaalsContact O-N 3.09Å; T137-L139 VanDerWaalsContact C-N 3.3Å; T137-L139 PolarHBondContact O-N 2.98Å; L139-G142 PolarHBondContact O-N 3.44Å; L139-V143 WeakPolarHBondContact O-CG2 3.37Å; L139-V143 PolarHBondContact O-N 2.93Å
140	E	95.2	Very high	93.6	Very high	116 Å²	116	100.2 Å²	100.2	54%	0.542	52%	0.517	S	S	.	.	H	α-helix	trans	-60.2	-44.4	174.3	-72	175.9	177.7	0	0	111.6	T136 T137 G142 V143 R144	T136-E140 WeakPolarHBondContact O-CG 3.32Å; T136-E140 PolarHBondContact O-N 3.44Å; T137-E140 PolarHBondContact O-N 2.96Å; E140-G142 VanDerWaalsContact C-N 3.35Å; E140-V143 PolarHBondContact O-N 3.02Å; E140-R144 WeakPolarHBondContact O-CB 3.46Å; E140-R144 PolarHBondContact O-N 3.42Å
141	D	94.7	Very high	93.7	Very high	69 Å²	69	101.2 Å²	101.2	37%	0.369	52%	0.521	S	S	.	.	H	α-helix	trans	-63.6	-40.1	174.1	-71.8	-20	0	0	0	111.8	T137 R144 V145	T137-D141 WeakPolarHBondContact O-CB 3.47Å; T137-D141 PolarHBondContact O-N 3.31Å; D141-R144 WeakPolarHBondContact O-CB 3.3Å; D141-R144 PolarHBondContact O-N 2.92Å; D141-R144 IonicContact OD1-CZ 3.81Å; D141-R144 IonicContact OD1-NE 3.13Å; D141-R144 IonicContact OD1-NH2 2.75Å; D141-R144 PolarHBondContact OD1-NH2 2.91Å; D141-V145 VanDerWaalsContact O-CG2 3.29Å; D141-V145 WeakPolarHBondContact O-CG2 3.29Å; D141-V145 PolarHBondContact O-N 3.07Å
142	G	94.8	Very high	93.9	Very high	40 Å²	40	97 Å²	97	41%	0.412	52%	0.515	S	S	.	.	H	α-helix	trans	-63.6	-41.6	175.2	0	0	0	0	0	113.1	K138 L139 E140 V145 A146	K138-G142 PolarHBondContact O-N 3.41Å; L139-G142 PolarHBondContact O-N 3.44Å; E140-G142 VanDerWaalsContact C-N 3.35Å; G142-V145 PolarHBondContact O-N 2.86Å; G142-A146 WeakPolarHBondContact O-CB 3.25Å; G142-A146 PolarHBondContact O-N 3.41Å
143	V	95.5	Very high	93.9	Very high	80 Å²	80	93.4 Å²	93.4	49%	0.485	50%	0.503	S	S	.	.	H	α-helix	trans	-65.1	-43.1	175	170.4	0	0	0	0	110.5	L139 E140 A146 L147	L139-V143 WeakPolarHBondContact O-CG2 3.37Å; L139-V143 PolarHBondContact O-N 2.93Å; E140-V143 PolarHBondContact O-N 3.02Å; V143-A146 PolarHBondContact O-N 3.29Å; V143-L147 HydrophobicContact CG1-CD1 4.14Å; V143-L147 WeakPolarHBondContact O-CG 3.46Å; V143-L147 PolarHBondContact O-N 2.87Å
144	R	95	Very high	94.1	Very high	136 Å²	136	91.9 Å²	91.9	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-58.7	-50.1	175.9	-168	-163.9	-35	-121	1.7	111.5	E140 D141 A146 L147 E148	E140-R144 WeakPolarHBondContact O-CB 3.46Å; E140-R144 PolarHBondContact O-N 3.42Å; D141-R144 WeakPolarHBondContact O-CB 3.3Å; D141-R144 PolarHBondContact O-N 2.92Å; D141-R144 IonicContact OD1-CZ 3.81Å; D141-R144 IonicContact OD1-NE 3.13Å; D141-R144 IonicContact OD1-NH2 2.75Å; D141-R144 PolarHBondContact OD1-NH2 2.91Å; R144-A146 VanDerWaalsContact C-N 3.29Å; R144-A146 PolarHBondContact O-N 3.17Å; R144-L147 PolarHBondContact O-N 3.42Å; R144-E148 WeakPolarHBondContact O-CG 3.47Å; R144-E148 PolarHBondContact O-N 2.7Å
145	V	94.8	Very high	94.2	Very high	80 Å²	80	89.4 Å²	89.4	49%	0.485	49%	0.493	S	S	.	.	H	α-helix	trans	-62.4	-36.9	177.1	171.9	0	0	0	0	111.3	D141 G142 T149	D141-V145 VanDerWaalsContact O-CG2 3.29Å; D141-V145 WeakPolarHBondContact O-CG2 3.29Å; D141-V145 PolarHBondContact O-N 3.07Å; G142-V145 PolarHBondContact O-N 2.86Å; V145-T149 VanDerWaalsContact O-CB 3.3Å; V145-T149 WeakPolarHBondContact O-CB 3.44Å; V145-T149 PolarHBondContact O-N 2.88Å; V145-T149 PolarHBondContact O-OG1 3.08Å
146	A	94.3	Very high	94.2	Very high	59 Å²	59	89.8 Å²	89.8	49%	0.488	49%	0.491	S	S	.	.	H	α-helix	trans	-65.3	-41.6	176.2	0	0	0	0	0	112.2	G142 V143 R144 T149 E150	G142-A146 WeakPolarHBondContact O-CB 3.25Å; G142-A146 PolarHBondContact O-N 3.41Å; V143-A146 PolarHBondContact O-N 3.29Å; R144-A146 VanDerWaalsContact C-N 3.29Å; R144-A146 PolarHBondContact O-N 3.17Å; A146-T149 PolarHBondContact O-N 2.97Å; A146-E150 PolarHBondContact O-N 3.15Å
147	L	96.6	Very high	94.3	Very high	101 Å²	101	92.6 Å²	92.6	53%	0.529	50%	0.503	S	S	.	.	H	α-helix	trans	-66.3	-44.3	175.5	-70.4	171.2	0	0	0	111.9	V143 R144 T149 E150 E151	V143-L147 HydrophobicContact CG1-CD1 4.14Å; V143-L147 WeakPolarHBondContact O-CG 3.46Å; V143-L147 PolarHBondContact O-N 2.87Å; R144-L147 PolarHBondContact O-N 3.42Å; L147-T149 VanDerWaalsContact C-N 3.25Å; L147-T149 PolarHBondContact O-N 3.22Å; L147-E150 WeakPolarHBondContact O-CB 3.4Å; L147-E150 PolarHBondContact O-N 3.33Å; L147-E150 VanDerWaalsContact O-N 3.17Å; L147-E151 PolarHBondContact O-N 2.98Å
148	E	93.3	Very high	94.4	Very high	103 Å²	103	95.6 Å²	95.6	48%	0.481	51%	0.513	S	S	.	.	H	α-helix	trans	-59.7	-39	173.1	-72.1	173.3	-171.9	0	0	111	R144 E151 V152	R144-E148 WeakPolarHBondContact O-CG 3.47Å; R144-E148 PolarHBondContact O-N 2.7Å; E148-E151 PolarHBondContact O-N 3.23Å; E148-V152 VanDerWaalsContact O-CG2 3.29Å; E148-V152 WeakPolarHBondContact O-CG2 3.44Å; E148-V152 PolarHBondContact O-N 2.88Å
149	T	93.1	Very high	94.4	Very high	88 Å²	88	92.1 Å²	92.1	54%	0.54	50%	0.501	S	S	.	.	H	α-helix	trans	-68.6	-36.4	176.4	-57.1	0	0	0	0	112	V145 A146 L147 G153	V145-T149 VanDerWaalsContact O-CB 3.3Å; V145-T149 WeakPolarHBondContact O-CB 3.44Å; V145-T149 PolarHBondContact O-N 2.88Å; V145-T149 PolarHBondContact O-OG1 3.08Å; A146-T149 PolarHBondContact O-N 2.97Å; L147-T149 VanDerWaalsContact C-N 3.25Å; L147-T149 PolarHBondContact O-N 3.22Å; T149-G153 PolarHBondContact O-N 3.1Å
150	E	92.8	Very high	94.5	Very high	143 Å²	143	90.9 Å²	90.9	67%	0.668	50%	0.495	S	S	*	.	H	α-helix	trans	-65	-43	173.5	-176.9	176.2	-171.8	0	0	111.3	A146 L147 G153 G154	A146-E150 PolarHBondContact O-N 3.15Å; L147-E150 WeakPolarHBondContact O-CB 3.4Å; L147-E150 PolarHBondContact O-N 3.33Å; L147-E150 VanDerWaalsContact O-N 3.17Å; E150-G153 PolarHBondContact O-N 3.39Å; E150-G154 PolarHBondContact O-N 2.95Å
151	E	93.4	Very high	94.5	Very high	124 Å²	124	89.1 Å²	89.1	58%	0.579	50%	0.495	S	S	*	.	H	α-helix	trans	-61.3	-49.2	175.6	-177.2	176.9	179.3	0	0	111.5	L147 E148 G153 G154 H155	L147-E151 PolarHBondContact O-N 2.98Å; E148-E151 PolarHBondContact O-N 3.23Å; E151-G153 VanDerWaalsContact C-N 3.32Å; E151-G153 PolarHBondContact O-N 3.28Å; E151-G154 PolarHBondContact O-N 3.33Å; E151-H155 PolarHBondContact O-CD2 3.19Å; E151-H155 PolarHBondContact O-N 2.91Å
152	V	93.1	Very high	94.5	Very high	87 Å²	87	90 Å²	90	53%	0.527	50%	0.497	S	S	.	.	H	α-helix	trans	-60.2	-42.6	175.1	172.4	0	0	0	0	111	E148 G154 H155 I156	E148-V152 VanDerWaalsContact O-CG2 3.29Å; E148-V152 WeakPolarHBondContact O-CG2 3.44Å; E148-V152 PolarHBondContact O-N 2.88Å; V152-G154 VanDerWaalsContact C-N 3.34Å; V152-G154 PolarHBondContact O-N 3.39Å; V152-H155 PolarHBondContact O-N 2.98Å; V152-I156 HydrophobicContact CG1-CD1 3.96Å; V152-I156 VanDerWaalsContact O-CG1 3.31Å; V152-I156 WeakPolarHBondContact O-CG1 3.31Å; V152-I156 PolarHBondContact O-N 3.45Å
153	G	92.1	Very high	94.5	Very high	29 Å²	29	93.6 Å²	93.6	30%	0.299	50%	0.504	S	S	.	.	H	α-helix	trans	-60.8	-42.3	175.2	0	0	0	0	0	112.6	T149 E150 E151 I156 L157	T149-G153 PolarHBondContact O-N 3.1Å; E150-G153 PolarHBondContact O-N 3.39Å; E151-G153 VanDerWaalsContact C-N 3.32Å; E151-G153 PolarHBondContact O-N 3.28Å; G153-I156 PolarHBondContact O-N 3.33Å; G153-L157 WeakPolarHBondContact O-CG 3.32Å; G153-L157 PolarHBondContact O-N 3.35Å
154	G	95.1	Very high	94.5	Very high	37 Å²	37	98.7 Å²	98.7	38%	0.381	51%	0.514	S	S	.	.	H	α-helix	trans	-60.5	-46.3	174.6	0	0	0	0	0	112.4	E150 E151 V152 I156 L157 Q158	E150-G154 PolarHBondContact O-N 2.95Å; E151-G154 PolarHBondContact O-N 3.33Å; V152-G154 VanDerWaalsContact C-N 3.34Å; V152-G154 PolarHBondContact O-N 3.39Å; G154-I156 PolarHBondContact O-N 2.9Å; G154-L157 PolarHBondContact O-N 3.29Å; G154-Q158 PolarHBondContact O-N 2.89Å
155	H	94.4	Very high	94.6	Very high	98 Å²	98	96.5 Å²	96.5	45%	0.454	51%	0.509	S	S	.	.	H	α-helix	trans	-60.3	-43.6	174.9	-80	-64	0	0	0	112.6	E151 V152 L157 Q158 D159	E151-H155 PolarHBondContact O-CD2 3.19Å; E151-H155 PolarHBondContact O-N 2.91Å; V152-H155 PolarHBondContact O-N 2.98Å; H155-L157 VanDerWaalsContact C-N 3.33Å; H155-L157 PolarHBondContact O-N 3.13Å; H155-Q158 WeakPolarHBondContact O-CB 3.44Å; H155-Q158 PolarHBondContact O-N 3.04Å; H155-D159 PolarHBondContact O-N 3.37Å
156	I	93.7	Very high	94.6	Very high	91 Å²	91	98 Å²	98	47%	0.467	51%	0.51	S	S	.	.	H	α-helix	trans	-62.1	-41.3	177.1	-67.4	165.5	0	0	0	111	V152 G153 G154 Q158 D159 L160	V152-I156 HydrophobicContact CG1-CD1 3.96Å; V152-I156 VanDerWaalsContact O-CG1 3.31Å; V152-I156 WeakPolarHBondContact O-CG1 3.31Å; V152-I156 PolarHBondContact O-N 3.45Å; G153-I156 PolarHBondContact O-N 3.33Å; G154-I156 PolarHBondContact O-N 2.9Å; I156-Q158 VanDerWaalsContact C-N 3.34Å; I156-D159 PolarHBondContact O-N 2.74Å; I156-L160 HydrophobicContact CG2-CD1 4.05Å; I156-L160 HydrophobicContact CG2-CG 4.38Å; I156-L160 WeakPolarHBondContact O-CB 3.09Å; I156-L160 VanDerWaalsContact O-CG 3.24Å; I156-L160 WeakPolarHBondContact O-CG 3.36Å; I156-L160 PolarHBondContact O-N 2.84Å
157	L	95.5	Very high	94.6	Very high	123 Å²	123	101.1 Å²	101.1	64%	0.644	52%	0.518	S	S	*	.	H	α-helix	trans	-64.7	-39.4	176.7	-71.3	173.5	0	0	0	112	G153 G154 H155 L160 S161	G153-L157 WeakPolarHBondContact O-CG 3.32Å; G153-L157 PolarHBondContact O-N 3.35Å; G154-L157 PolarHBondContact O-N 3.29Å; H155-L157 VanDerWaalsContact C-N 3.33Å; H155-L157 PolarHBondContact O-N 3.13Å; L157-L160 PolarHBondContact O-N 3.02Å; L157-S161 WeakPolarHBondContact O-CB 3.03Å; L157-S161 PolarHBondContact O-N 3.48Å
158	Q	95.7	Very high	94.6	Very high	128 Å²	128	101.8 Å²	101.8	60%	0.598	52%	0.518	S	S	*	.	H	α-helix	trans	-63.4	-46.8	174.6	-177.5	176.1	-16	0	0	111.4	G154 H155 I156 L160 S161 E162	G154-Q158 PolarHBondContact O-N 2.89Å; H155-Q158 WeakPolarHBondContact O-CB 3.44Å; H155-Q158 PolarHBondContact O-N 3.04Å; I156-Q158 VanDerWaalsContact C-N 3.34Å; Q158-L160 VanDerWaalsContact C-N 3.34Å; Q158-L160 PolarHBondContact O-N 3.42Å; Q158-S161 WeakPolarHBondContact O-CB 3.42Å; Q158-S161 PolarHBondContact O-N 3.43Å; Q158-S161 VanDerWaalsContact O-N 3.14Å; Q158-E162 PolarHBondContact O-N 3.05Å
159	D	95.3	Very high	94.7	Very high	82 Å²	82	103.1 Å²	103.1	44%	0.439	52%	0.519	S	S	.	.	H	α-helix	trans	-60.3	-43.4	177	-78	-0.6	0	0	0	111.6	H155 I156 S161 E162 Q163	H155-D159 PolarHBondContact O-N 3.37Å; I156-D159 PolarHBondContact O-N 2.74Å; D159-S161 VanDerWaalsContact C-N 3.32Å; D159-S161 PolarHBondContact O-N 2.93Å; D159-E162 PolarHBondContact O-N 3.35Å; D159-Q163 WeakPolarHBondContact O-CB 3.46Å; D159-Q163 VanDerWaalsContact O-CG 3.25Å; D159-Q163 WeakPolarHBondContact O-CG 3.26Å; D159-Q163 PolarHBondContact O-N 3.33Å
160	L	95.7	Very high	94.8	Very high	94 Å²	94	101.7 Å²	101.7	49%	0.492	51%	0.512	S	S	.	.	H	α-helix	trans	-63.5	-38.4	175.8	-73.3	174.2	0	0	0	111.9	I156 L157 Q158 R164	I156-L160 HydrophobicContact CG2-CD1 4.05Å; I156-L160 HydrophobicContact CG2-CG 4.38Å; I156-L160 WeakPolarHBondContact O-CB 3.09Å; I156-L160 VanDerWaalsContact O-CG 3.24Å; I156-L160 WeakPolarHBondContact O-CG 3.36Å; I156-L160 PolarHBondContact O-N 2.84Å; L157-L160 PolarHBondContact O-N 3.02Å; Q158-L160 VanDerWaalsContact C-N 3.34Å; Q158-L160 PolarHBondContact O-N 3.42Å; L160-R164 VanDerWaalsContact O-CB 3.29Å; L160-R164 WeakPolarHBondContact O-CB 3.39Å; L160-R164 PolarHBondContact O-N 3.45Å
161	S	95.1	Very high	94.9	Very high	79 Å²	79	103.8 Å²	103.8	55%	0.552	51%	0.514	S	S	*	.	H	α-helix	trans	-64.4	-44.4	174.4	-174.4	0	0	0	0	111.5	L157 Q158 D159 R164 E165	L157-S161 WeakPolarHBondContact O-CB 3.03Å; L157-S161 PolarHBondContact O-N 3.48Å; Q158-S161 WeakPolarHBondContact O-CB 3.42Å; Q158-S161 PolarHBondContact O-N 3.43Å; Q158-S161 VanDerWaalsContact O-N 3.14Å; D159-S161 VanDerWaalsContact C-N 3.32Å; D159-S161 PolarHBondContact O-N 2.93Å; S161-R164 PolarHBondContact O-N 3.04Å; S161-E165 PolarHBondContact O-N 3.4Å
162	E	96.1	Very high	95	Very high	88 Å²	88	101.6 Å²	101.6	41%	0.411	51%	0.506	S	S	.	.	H	α-helix	trans	-64.1	-43.3	176.3	-167.1	-168.4	166.7	0	0	111.5	Q158 D159 R164 E165 K166	Q158-E162 PolarHBondContact O-N 3.05Å; D159-E162 PolarHBondContact O-N 3.35Å; E162-R164 VanDerWaalsContact C-N 3.35Å; E162-R164 PolarHBondContact O-N 2.69Å; E162-E165 PolarHBondContact O-N 3.45Å; E162-K166 VanDerWaalsContact CD-NZ 3.27Å; E162-K166 HydrophobicContact CG-CD 4.43Å; E162-K166 WeakPolarHBondContact O-CB 3.41Å; E162-K166 WeakPolarHBondContact O-CG 3.26Å; E162-K166 PolarHBondContact O-N 2.94Å; E162-K166 WeakPolarHBondContact OE1-CE 3.42Å; E162-K166 IonicContact OE1-NZ 2.83Å; E162-K166 PolarHBondContact OE1-NZ 2.92Å; E162-K166 IonicContact OE2-NZ 3.62Å
163	Q	94.7	Very high	95.1	Very high	116 Å²	116	104.5 Å²	104.5	54%	0.542	51%	0.512	S	S	.	.	H	α-helix	trans	-63	-41	175.9	-74.4	178.9	17.9	0	0	111.9	D159 E165 K166 L167	D159-Q163 WeakPolarHBondContact O-CB 3.46Å; D159-Q163 VanDerWaalsContact O-CG 3.25Å; D159-Q163 WeakPolarHBondContact O-CG 3.26Å; D159-Q163 PolarHBondContact O-N 3.33Å; Q163-E165 VanDerWaalsContact C-N 3.34Å; Q163-E165 PolarHBondContact O-N 2.84Å; Q163-K166 PolarHBondContact O-N 3.05Å; Q163-L167 WeakPolarHBondContact O-CB 3.44Å; Q163-L167 PolarHBondContact O-N 3.36Å
164	R	95.1	Very high	95.2	Very high	186 Å²	186	108.8 Å²	108.8	70%	0.702	53%	0.527	S	S	*	.	H	α-helix	trans	-60.4	-44.6	174.2	-179.5	-179	177.3	144.3	-0.5	111.1	L160 S161 E162 L167 Q168	L160-R164 VanDerWaalsContact O-CB 3.29Å; L160-R164 WeakPolarHBondContact O-CB 3.39Å; L160-R164 PolarHBondContact O-N 3.45Å; S161-R164 PolarHBondContact O-N 3.04Å; E162-R164 VanDerWaalsContact C-N 3.35Å; E162-R164 PolarHBondContact O-N 2.69Å; R164-L167 PolarHBondContact O-N 3.49Å; R164-Q168 WeakPolarHBondContact O-CB 3.23Å; R164-Q168 PolarHBondContact O-N 3.33Å
165	E	96.2	Very high	95.2	Very high	90 Å²	90	115.9 Å²	115.9	42%	0.421	54%	0.542	S	S	.	.	H	α-helix	trans	-64.2	-44.4	177.2	-167	-169.9	-159.6	0	0	111.6	S161 E162 Q163 L167 Q168 R169	S161-E165 PolarHBondContact O-N 3.4Å; E162-E165 PolarHBondContact O-N 3.45Å; Q163-E165 VanDerWaalsContact C-N 3.34Å; Q163-E165 PolarHBondContact O-N 2.84Å; E165-L167 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 2.87Å; E165-Q168 PolarHBondContact O-N 3.41Å; E165-R169 VanDerWaalsContact CD-NH2 3.3Å; E165-R169 WeakPolarHBondContact O-CG 3.42Å; E165-R169 PolarHBondContact O-N 2.92Å; E165-R169 IonicContact OE1-CZ 2.96Å; E165-R169 IonicContact OE1-NH1 3.48Å; E165-R169 PolarHBondContact OE1-NH1 3.24Å; E165-R169 IonicContact OE1-NH2 3.65Å; E165-R169 PolarHBondContact OE1-NH2 2.93Å; E165-R169 IonicContact OE2-CZ 2.86Å; E165-R169 IonicContact OE2-NH1 2.69Å; E165-R169 PolarHBondContact OE2-NH1 3.29Å; E165-R169 IonicContact OE2-NH2 3.13Å
166	K	95.3	Very high	95.1	Very high	112 Å²	112	116.9 Å²	116.9	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-58.5	-44.2	174.1	-75.4	172.9	-178.2	164.5	0	111.7	E162 Q163 R169 S170	E162-K166 VanDerWaalsContact CD-NZ 3.27Å; E162-K166 HydrophobicContact CG-CD 4.43Å; E162-K166 WeakPolarHBondContact O-CB 3.41Å; E162-K166 WeakPolarHBondContact O-CG 3.26Å; E162-K166 PolarHBondContact O-N 2.94Å; E162-K166 WeakPolarHBondContact OE1-CE 3.42Å; E162-K166 IonicContact OE1-NZ 2.83Å; E162-K166 PolarHBondContact OE1-NZ 2.92Å; E162-K166 IonicContact OE2-NZ 3.62Å; Q163-K166 PolarHBondContact O-N 3.05Å; K166-R169 PolarHBondContact O-N 3.38Å; K166-S170 WeakPolarHBondContact O-CB 3.2Å; K166-S170 PolarHBondContact O-N 3.16Å
167	L	94.8	Very high	95.1	Very high	125 Å²	125	114.8 Å²	114.8	65%	0.654	54%	0.544	S	S	*	.	H	α-helix	trans	-65.5	-41.9	177.9	-176.5	61.5	0	0	0	111.6	Q163 R164 E165 S170 R171	Q163-L167 WeakPolarHBondContact O-CB 3.44Å; Q163-L167 PolarHBondContact O-N 3.36Å; R164-L167 PolarHBondContact O-N 3.49Å; E165-L167 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 2.87Å; L167-S170 PolarHBondContact O-N 3.25Å; L167-R171 WeakPolarHBondContact O-CB 3.33Å; L167-R171 PolarHBondContact O-N 3.23Å
168	Q	96.5	Very high	95	Very high	114 Å²	114	114.1 Å²	114.1	53%	0.533	54%	0.541	S	S	.	.	H	α-helix	trans	-62.9	-47.3	176.1	-172.9	175.6	-36.2	0	0	111.2	R164 E165 S170 R171 D172	R164-Q168 WeakPolarHBondContact O-CB 3.23Å; R164-Q168 PolarHBondContact O-N 3.33Å; E165-Q168 PolarHBondContact O-N 3.41Å; Q168-S170 VanDerWaalsContact C-N 3.33Å; Q168-S170 PolarHBondContact O-N 3.48Å; Q168-R171 PolarHBondContact O-N 2.95Å; Q168-D172 PolarHBondContact O-N 3.42Å
169	R	95.3	Very high	94.9	Very high	132 Å²	132	110.4 Å²	110.4	50%	0.498	53%	0.528	S	S	.	.	H	α-helix	trans	-59.1	-42.3	174.4	-74.9	-179.9	174.4	127.4	4.5	112.3	E165 K166 D172 K173	E165-R169 VanDerWaalsContact CD-NH2 3.3Å; E165-R169 WeakPolarHBondContact O-CG 3.42Å; E165-R169 PolarHBondContact O-N 2.92Å; E165-R169 IonicContact OE1-CZ 2.96Å; E165-R169 IonicContact OE1-NH1 3.48Å; E165-R169 PolarHBondContact OE1-NH1 3.24Å; E165-R169 IonicContact OE1-NH2 3.65Å; E165-R169 PolarHBondContact OE1-NH2 2.93Å; E165-R169 IonicContact OE2-CZ 2.86Å; E165-R169 IonicContact OE2-NH1 2.69Å; E165-R169 PolarHBondContact OE2-NH1 3.29Å; E165-R169 IonicContact OE2-NH2 3.13Å; K166-R169 PolarHBondContact O-N 3.38Å; R169-D172 PolarHBondContact O-N 2.93Å; R169-K173 WeakPolarHBondContact O-CB 3.44Å; R169-K173 WeakPolarHBondContact O-CG 3.32Å; R169-K173 PolarHBondContact O-N 3.5Å
170	S	93.9	Very high	94.9	Very high	58 Å²	58	109.3 Å²	109.3	41%	0.406	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-45.3	176.5	-175.2	0	0	0	0	111.3	K166 L167 Q168 D172 K173 L174	K166-S170 WeakPolarHBondContact O-CB 3.2Å; K166-S170 PolarHBondContact O-N 3.16Å; L167-S170 PolarHBondContact O-N 3.25Å; Q168-S170 VanDerWaalsContact C-N 3.33Å; Q168-S170 PolarHBondContact O-N 3.48Å; S170-D172 PolarHBondContact O-N 3.22Å; S170-K173 PolarHBondContact O-N 3.31Å; S170-L174 WeakPolarHBondContact O-CG 3.38Å; S170-L174 PolarHBondContact O-N 2.88Å
171	R	95.8	Very high	94.7	Very high	186 Å²	186	110.5 Å²	110.5	70%	0.702	53%	0.529	S	S	*	.	H	α-helix	trans	-62.3	-41.6	176.7	-177	178	171.1	174.5	-2.6	112.3	L167 Q168 L174 R175	L167-R171 WeakPolarHBondContact O-CB 3.33Å; L167-R171 PolarHBondContact O-N 3.23Å; Q168-R171 PolarHBondContact O-N 2.95Å; R171-L174 PolarHBondContact O-N 2.93Å; R171-R175 WeakPolarHBondContact O-CB 3.34Å; R171-R175 PolarHBondContact O-N 3.27Å
172	D	96	Very high	94.6	Very high	78 Å²	78	113.6 Å²	113.6	42%	0.417	53%	0.532	S	S	.	.	H	α-helix	trans	-65.9	-42.7	176.8	-73.6	-29.3	0	0	0	111.7	Q168 R169 S170 L174 R175 Q176	Q168-D172 PolarHBondContact O-N 3.42Å; R169-D172 PolarHBondContact O-N 2.93Å; S170-D172 PolarHBondContact O-N 3.22Å; D172-L174 PolarHBondContact O-N 2.92Å; D172-R175 PolarHBondContact O-N 3.39Å; D172-Q176 WeakPolarHBondContact O-CB 3.18Å; D172-Q176 PolarHBondContact O-N 3.02Å
173	K	94.6	Very high	94.3	Very high	149 Å²	149	114.8 Å²	114.8	65%	0.648	54%	0.536	S	S	*	.	H	α-helix	trans	-60.5	-43.1	173	-74.7	178.1	-178.2	-176.1	0	112.1	R169 S170 Q176 A177	R169-K173 WeakPolarHBondContact O-CB 3.44Å; R169-K173 WeakPolarHBondContact O-CG 3.32Å; R169-K173 PolarHBondContact O-N 3.5Å; S170-K173 PolarHBondContact O-N 3.31Å; K173-Q176 PolarHBondContact O-N 3.38Å; K173-A177 WeakPolarHBondContact O-CB 3.45Å; K173-A177 PolarHBondContact O-N 2.93Å
174	L	94	Very high	94.2	Very high	118 Å²	118	112.1 Å²	112.1	62%	0.618	53%	0.531	S	S	*	.	H	α-helix	trans	-62.7	-42.8	176.3	-75.9	171.9	0	0	0	111.6	S170 R171 D172 Q176 A177 D178	S170-L174 WeakPolarHBondContact O-CG 3.38Å; S170-L174 PolarHBondContact O-N 2.88Å; R171-L174 PolarHBondContact O-N 2.93Å; D172-L174 PolarHBondContact O-N 2.92Å; L174-Q176 VanDerWaalsContact C-N 3.35Å; L174-A177 PolarHBondContact O-N 3.37Å; L174-D178 WeakPolarHBondContact O-CB 3.48Å; L174-D178 PolarHBondContact O-N 3.23Å
175	R	94.8	Very high	94	Very high	186 Å²	186	106.9 Å²	106.9	70%	0.702	52%	0.522	S	S	*	.	H	α-helix	trans	-66.4	-37.7	177.5	-165.2	173.9	77	109.8	-1.4	112.1	R171 D172 S179	R171-R175 WeakPolarHBondContact O-CB 3.34Å; R171-R175 PolarHBondContact O-N 3.27Å; D172-R175 PolarHBondContact O-N 3.39Å; R175-S179 PolarHBondContact O-N 3.48Å; R175-S179 VanDerWaalsContact O-N 3.08Å
176	Q	93.8	Very high	93.8	Very high	120 Å²	120	110.5 Å²	110.5	56%	0.561	53%	0.532	S	S	*	.	H	α-helix	trans	-65.8	-46.7	173.8	-175.9	173.8	10.1	0	0	111.3	D172 K173 L174 D178 S179 D180	D172-Q176 WeakPolarHBondContact O-CB 3.18Å; D172-Q176 PolarHBondContact O-N 3.02Å; K173-Q176 PolarHBondContact O-N 3.38Å; L174-Q176 VanDerWaalsContact C-N 3.35Å; Q176-D178 VanDerWaalsContact C-N 3.33Å; Q176-D178 PolarHBondContact O-N 2.92Å; Q176-S179 WeakPolarHBondContact O-CB 3.35Å; Q176-S179 PolarHBondContact O-N 3.41Å; Q176-D180 PolarHBondContact O-N 2.82Å
177	A	92.7	Very high	93.7	Very high	47 Å²	47	109.8 Å²	109.8	39%	0.388	53%	0.532	S	S	.	.	H	α-helix	trans	-58.3	-43.9	176.6	0	0	0	0	0	111.6	K173 L174 D180 L181	K173-A177 WeakPolarHBondContact O-CB 3.45Å; K173-A177 PolarHBondContact O-N 2.93Å; L174-A177 PolarHBondContact O-N 3.37Å; A177-D180 PolarHBondContact O-N 2.92Å; A177-L181 WeakPolarHBondContact O-CB 3.46Å; A177-L181 VanDerWaalsContact O-CG 3.27Å; A177-L181 WeakPolarHBondContact O-CG 3.42Å; A177-L181 PolarHBondContact O-N 2.97Å
178	D	94.2	Very high	93.5	Very high	109 Å²	109	108.7 Å²	108.7	58%	0.583	53%	0.527	S	S	*	.	H	α-helix	trans	-62.2	-43.1	175.8	-174.5	51.7	0	0	0	112.4	L174 Q176 D180 L181 K182	L174-D178 WeakPolarHBondContact O-CB 3.48Å; L174-D178 PolarHBondContact O-N 3.23Å; Q176-D178 VanDerWaalsContact C-N 3.33Å; Q176-D178 PolarHBondContact O-N 2.92Å; D178-D180 VanDerWaalsContact C-N 3.33Å; D178-D180 PolarHBondContact O-N 3.35Å; D178-L181 PolarHBondContact O-N 3.11Å; D178-K182 WeakPolarHBondContact O-CB 3.18Å; D178-K182 PolarHBondContact O-N 3.09Å
179	S	93.8	Very high	93.2	Very high	49 Å²	49	106.9 Å²	106.9	34%	0.343	53%	0.527	S	S	.	.	H	α-helix	trans	-58.1	-45	172.4	152.5	0	0	0	0	111.9	R175 Q176 K182 K183	R175-S179 PolarHBondContact O-N 3.48Å; R175-S179 VanDerWaalsContact O-N 3.08Å; Q176-S179 WeakPolarHBondContact O-CB 3.35Å; Q176-S179 PolarHBondContact O-N 3.41Å; S179-K182 WeakPolarHBondContact O-CB 3.16Å; S179-K182 PolarHBondContact O-N 2.99Å; S179-K183 WeakPolarHBondContact O-CG 3.44Å; S179-K183 PolarHBondContact O-N 3.37Å
180	D	93.6	Very high	93	Very high	60 Å²	60	104 Å²	104	32%	0.321	52%	0.523	S	S	.	.	H	α-helix	trans	-73.8	-32.3	-176.9	-68.2	-18.3	0	0	0	112	Q176 A177 D178 K183 S184	Q176-D180 PolarHBondContact O-N 2.82Å; A177-D180 PolarHBondContact O-N 2.92Å; D178-D180 VanDerWaalsContact C-N 3.33Å; D178-D180 PolarHBondContact O-N 3.35Å; D180-K183 PolarHBondContact O-N 3.41Å; D180-K183 IonicContact OD1-NZ 3.13Å; D180-K183 PolarHBondContact OD1-NZ 2.95Å; D180-K183 VanDerWaalsContact OD1-NZ 3.13Å; D180-S184 VanDerWaalsContact O-CB 3.27Å; D180-S184 WeakPolarHBondContact O-CB 3.38Å; D180-S184 PolarHBondContact O-N 3.13Å; D180-S184 PolarHBondContact O-OG 3.35Å
181	L	91.8	Very high	92.8	Very high	118 Å²	118	106.2 Å²	106.2	62%	0.618	53%	0.529	S	S	*	.	H	α-helix	trans	-62	-42.8	167.8	-73.1	175.6	0	0	0	111.3	A177 D178 S184 S185	A177-L181 WeakPolarHBondContact O-CB 3.46Å; A177-L181 VanDerWaalsContact O-CG 3.27Å; A177-L181 WeakPolarHBondContact O-CG 3.42Å; A177-L181 PolarHBondContact O-N 2.97Å; D178-L181 PolarHBondContact O-N 3.11Å; L181-S184 PolarHBondContact O-N 3.48Å; L181-S185 VanDerWaalsContact O-CB 3.29Å; L181-S185 WeakPolarHBondContact O-CB 3.37Å; L181-S185 PolarHBondContact O-N 2.92Å
182	K	93.3	Very high	92.5	Very high	144 Å²	144	101.6 Å²	101.6	63%	0.626	52%	0.521	S	S	*	.	H	α-helix	trans	-64.4	-41.2	176.4	-171.3	174.4	-175.9	172.7	0	112.4	D178 S179 R186	D178-K182 WeakPolarHBondContact O-CB 3.18Å; D178-K182 PolarHBondContact O-N 3.09Å; S179-K182 WeakPolarHBondContact O-CB 3.16Å; S179-K182 PolarHBondContact O-N 2.99Å; K182-R186 PolarHBondContact O-N 3.11Å
183	K	90.7	Very high	92.3	Very high	114 Å²	114	106.3 Å²	106.3	50%	0.496	53%	0.533	S	S	.	.	H	α-helix	trans	-63.6	-46.3	173.5	-70.3	172.8	-167.8	162.7	0	111.2	S179 D180 S185 R186 I187	S179-K183 WeakPolarHBondContact O-CG 3.44Å; S179-K183 PolarHBondContact O-N 3.37Å; D180-K183 PolarHBondContact O-N 3.41Å; D180-K183 IonicContact OD1-NZ 3.13Å; D180-K183 PolarHBondContact OD1-NZ 2.95Å; D180-K183 VanDerWaalsContact OD1-NZ 3.13Å; K183-S185 PolarHBondContact O-N 2.95Å; K183-R186 WeakPolarHBondContact O-CB 3.13Å; K183-R186 PolarHBondContact O-N 3.25Å; K183-I187 WeakPolarHBondContact O-CG1 3.27Å; K183-I187 PolarHBondContact O-N 3.05Å
184	S	91.4	Very high	92.2	Very high	60 Å²	60	106.9 Å²	106.9	42%	0.42	53%	0.531	S	S	.	.	H	α-helix	trans	-60.9	-44.8	178.6	-60.9	0	0	0	0	111.2	D180 L181 R186 I187 L188	D180-S184 VanDerWaalsContact O-CB 3.27Å; D180-S184 WeakPolarHBondContact O-CB 3.38Å; D180-S184 PolarHBondContact O-N 3.13Å; D180-S184 PolarHBondContact O-OG 3.35Å; L181-S184 PolarHBondContact O-N 3.48Å; S184-R186 VanDerWaalsContact C-N 3.33Å; S184-R186 PolarHBondContact O-N 2.72Å; S184-I187 PolarHBondContact O-N 3.47Å; S184-L188 WeakPolarHBondContact O-CB 3.39Å; S184-L188 VanDerWaalsContact O-CG 3.3Å; S184-L188 WeakPolarHBondContact O-CG 3.44Å; S184-L188 PolarHBondContact O-N 3.47Å
185	S	91.9	Very high	92	Very high	76 Å²	76	105.9 Å²	105.9	53%	0.531	53%	0.526	S	S	.	.	H	α-helix	trans	-58.4	-42.8	174.5	178.4	0	0	0	0	112.1	L181 K183 L188 S189	L181-S185 VanDerWaalsContact O-CB 3.29Å; L181-S185 WeakPolarHBondContact O-CB 3.37Å; L181-S185 PolarHBondContact O-N 2.92Å; K183-S185 PolarHBondContact O-N 2.95Å; S185-L188 PolarHBondContact O-N 2.9Å; S185-S189 WeakPolarHBondContact O-CB 3.45Å; S185-S189 PolarHBondContact O-N 3.29Å
186	R	92.4	Very high	91.8	Very high	166 Å²	166	102.9 Å²	102.9	63%	0.626	52%	0.523	S	S	*	.	H	α-helix	trans	-63.4	-45	175.7	-174.3	-176.8	-65.2	172.4	-2.3	112	K182 K183 S184 S189 V190	K182-R186 PolarHBondContact O-N 3.11Å; K183-R186 WeakPolarHBondContact O-CB 3.13Å; K183-R186 PolarHBondContact O-N 3.25Å; S184-R186 VanDerWaalsContact C-N 3.33Å; S184-R186 PolarHBondContact O-N 2.72Å; R186-S189 PolarHBondContact O-N 3.1Å; R186-V190 WeakPolarHBondContact O-CG2 3.31Å; R186-V190 PolarHBondContact O-N 3.04Å
187	I	92.2	Very high	91.7	Very high	96 Å²	96	102 Å²	102	49%	0.492	52%	0.519	S	S	.	.	H	α-helix	trans	-62.7	-46.2	178.2	-66.9	165.4	0	0	0	110	K183 S184 S189 V190 M191	K183-I187 WeakPolarHBondContact O-CG1 3.27Å; K183-I187 PolarHBondContact O-N 3.05Å; S184-I187 PolarHBondContact O-N 3.47Å; I187-S189 VanDerWaalsContact C-N 3.32Å; I187-S189 PolarHBondContact O-N 3.36Å; I187-V190 PolarHBondContact O-N 3.03Å; I187-V190 VanDerWaalsContact O-N 3.15Å; I187-M191 HydrophobicContact CG2-CE 3.75Å; I187-M191 HydrophobicContact CG2-CG 4.41Å; I187-M191 HydrophobicContact CG2-SD 4.17Å; I187-M191 WeakPolarHBondContact O-CG 3.45Å; I187-M191 PolarHBondContact O-N 2.92Å
188	L	89.8	Confident	91.8	Very high	103 Å²	103	104.8 Å²	104.8	54%	0.539	53%	0.527	S	S	.	.	H	α-helix	trans	-57.9	-44	175.4	-73.7	171.3	0	0	0	111.4	S184 S185 V190 M191 T192	S184-L188 WeakPolarHBondContact O-CB 3.39Å; S184-L188 VanDerWaalsContact O-CG 3.3Å; S184-L188 WeakPolarHBondContact O-CG 3.44Å; S184-L188 PolarHBondContact O-N 3.47Å; S185-L188 PolarHBondContact O-N 2.9Å; L188-V190 VanDerWaalsContact C-N 3.33Å; L188-V190 PolarHBondContact O-N 3.32Å; L188-M191 WeakPolarHBondContact O-CB 3.5Å; L188-M191 PolarHBondContact O-N 3.38Å; L188-T192 WeakPolarHBondContact O-CG2 3.3Å; L188-T192 PolarHBondContact O-N 2.95Å; L188-T192 PolarHBondContact O-OG1 3.32Å
189	S	90.7	Very high	91.7	Very high	76 Å²	76	106 Å²	106	53%	0.531	53%	0.527	S	S	.	.	H	α-helix	trans	-61.3	-38.9	176.3	-176.3	0	0	0	0	112.8	S185 R186 I187 T192 R193	S185-S189 WeakPolarHBondContact O-CB 3.45Å; S185-S189 PolarHBondContact O-N 3.29Å; R186-S189 PolarHBondContact O-N 3.1Å; I187-S189 VanDerWaalsContact C-N 3.32Å; I187-S189 PolarHBondContact O-N 3.36Å; S189-T192 WeakPolarHBondContact CA-OG1 3.32Å; S189-T192 PolarHBondContact O-OG1 3.27Å; S189-R193 WeakPolarHBondContact O-CB 3.49Å; S189-R193 PolarHBondContact O-N 2.93Å; S189-R193 VanDerWaalsContact O-N 3.08Å
190	V	92.3	Very high	91.8	Very high	70 Å²	70	110.5 Å²	110.5	42%	0.424	54%	0.541	S	S	.	.	H	α-helix	trans	-67.4	-41.9	174	173.6	0	0	0	0	110.9	R186 I187 L188 R193 R194	R186-V190 WeakPolarHBondContact O-CG2 3.31Å; R186-V190 PolarHBondContact O-N 3.04Å; I187-V190 PolarHBondContact O-N 3.03Å; I187-V190 VanDerWaalsContact O-N 3.15Å; L188-V190 VanDerWaalsContact C-N 3.33Å; L188-V190 PolarHBondContact O-N 3.32Å; V190-R193 PolarHBondContact O-N 3.44Å; V190-R194 WeakPolarHBondContact O-CG 3.25Å; V190-R194 PolarHBondContact O-N 3.27Å
191	M	89.3	Confident	91.8	Very high	106 Å²	106	112.8 Å²	112.8	52%	0.522	55%	0.553	S	S	.	*	H	α-helix	trans	-62.4	-46.9	176.6	-72.1	-179.9	172.5	0	0	111.6	I187 L188 R193 R194 I195	I187-M191 HydrophobicContact CG2-CE 3.75Å; I187-M191 HydrophobicContact CG2-CG 4.41Å; I187-M191 HydrophobicContact CG2-SD 4.17Å; I187-M191 WeakPolarHBondContact O-CG 3.45Å; I187-M191 PolarHBondContact O-N 2.92Å; L188-M191 WeakPolarHBondContact O-CB 3.5Å; L188-M191 PolarHBondContact O-N 3.38Å; M191-R193 VanDerWaalsContact C-N 3.34Å; M191-R193 PolarHBondContact O-N 2.86Å; M191-R194 PolarHBondContact O-N 2.84Å; M191-I195 VanDerWaalsContact O-CG1 3.26Å; M191-I195 WeakPolarHBondContact O-CG1 3.29Å; M191-I195 PolarHBondContact O-N 3.2Å
192	T	90.1	Very high	91.9	Very high	88 Å²	88	112.2 Å²	112.2	54%	0.54	55%	0.55	S	S	.	.	H	α-helix	trans	-63.1	-40.4	179.5	54.3	0	0	0	0	111.6	L188 S189 I195 L196	L188-T192 WeakPolarHBondContact O-CG2 3.3Å; L188-T192 PolarHBondContact O-N 2.95Å; L188-T192 PolarHBondContact O-OG1 3.32Å; S189-T192 WeakPolarHBondContact CA-OG1 3.32Å; S189-T192 PolarHBondContact O-OG1 3.27Å; T192-I195 PolarHBondContact O-N 3.36Å; T192-L196 WeakPolarHBondContact O-CB 3.42Å; T192-L196 PolarHBondContact O-N 2.91Å
193	R	91.1	Very high	92.1	Very high	177 Å²	177	110.6 Å²	110.6	67%	0.668	55%	0.547	S	S	*	.	H	α-helix	trans	-64.2	-43.5	176	-169.1	175.6	-179.9	-173	0.3	112.5	S189 V190 M191 L196 Q197	S189-R193 WeakPolarHBondContact O-CB 3.49Å; S189-R193 PolarHBondContact O-N 2.93Å; S189-R193 VanDerWaalsContact O-N 3.08Å; V190-R193 PolarHBondContact O-N 3.44Å; M191-R193 VanDerWaalsContact C-N 3.34Å; M191-R193 PolarHBondContact O-N 2.86Å; R193-L196 PolarHBondContact O-N 2.69Å; R193-Q197 WeakPolarHBondContact O-CG 3.47Å; R193-Q197 PolarHBondContact O-N 2.89Å
194	R	91.5	Very high	92.3	Very high	162 Å²	162	108.2 Å²	108.2	61%	0.611	54%	0.542	S	S	*	.	H	α-helix	trans	-63	-42.9	176.2	-73.3	177.5	-179.3	-171	0.5	111.8	V190 M191 L196 Q197 N198	V190-R194 WeakPolarHBondContact O-CG 3.25Å; V190-R194 PolarHBondContact O-N 3.27Å; M191-R194 PolarHBondContact O-N 2.84Å; R194-L196 VanDerWaalsContact C-N 3.31Å; R194-L196 PolarHBondContact O-N 3.36Å; R194-Q197 PolarHBondContact O-N 2.93Å; R194-N198 WeakPolarHBondContact O-CB 3.4Å; R194-N198 VanDerWaalsContact O-CG 3.26Å; R194-N198 PolarHBondContact O-N 3.02Å; R194-N198 PolarHBondContact O-OD1 3.05Å
195	I	90.8	Very high	92.6	Very high	97 Å²	97	109.5 Å²	109.5	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-61.1	-43.1	176.2	-68.7	164.3	0	0	0	110.4	M191 T192 N198 K199	M191-I195 VanDerWaalsContact O-CG1 3.26Å; M191-I195 WeakPolarHBondContact O-CG1 3.29Å; M191-I195 PolarHBondContact O-N 3.2Å; T192-I195 PolarHBondContact O-N 3.36Å; I195-N198 PolarHBondContact O-N 2.9Å; I195-K199 HydrophobicContact CG2-CD 4.33Å; I195-K199 HydrophobicContact CG2-CG 4.48Å; I195-K199 WeakPolarHBondContact O-CB 3.46Å; I195-K199 WeakPolarHBondContact O-CG 3.33Å; I195-K199 PolarHBondContact O-N 3.48Å
196	L	91.4	Very high	92.8	Very high	123 Å²	123	110.2 Å²	110.2	64%	0.644	54%	0.544	S	S	*	.	H	α-helix	trans	-64.1	-43.6	178.2	-171.8	64.1	0	0	0	112	T192 R193 R194 K199 F200	T192-L196 WeakPolarHBondContact O-CB 3.42Å; T192-L196 PolarHBondContact O-N 2.91Å; R193-L196 PolarHBondContact O-N 2.69Å; R194-L196 VanDerWaalsContact C-N 3.31Å; R194-L196 PolarHBondContact O-N 3.36Å; L196-K199 PolarHBondContact O-N 3.24Å; L196-F200 PolarHBondContact O-N 2.92Å
197	Q	91.1	Very high	93	Very high	101 Å²	101	109 Å²	109	47%	0.472	54%	0.543	S	S	.	.	H	α-helix	trans	-60.4	-47.1	174.8	-74.3	175.8	-25.4	0	0	111.9	R193 R194 K199 F200 L201	R193-Q197 WeakPolarHBondContact O-CG 3.47Å; R193-Q197 PolarHBondContact O-N 2.89Å; R194-Q197 PolarHBondContact O-N 2.93Å; Q197-K199 VanDerWaalsContact C-N 3.33Å; Q197-K199 PolarHBondContact O-N 3.42Å; Q197-F200 PolarHBondContact O-N 2.83Å; Q197-L201 PolarHBondContact O-N 3.45Å
198	N	94.2	Very high	93.3	Very high	106 Å²	106	109.5 Å²	109.5	57%	0.567	55%	0.546	S	S	*	.	H	α-helix	trans	-63.1	-40.2	178.3	-70.6	-1.8	0	0	0	111.7	R194 I195 L201 L202	R194-N198 WeakPolarHBondContact O-CB 3.4Å; R194-N198 VanDerWaalsContact O-CG 3.26Å; R194-N198 PolarHBondContact O-N 3.02Å; R194-N198 PolarHBondContact O-OD1 3.05Å; I195-N198 PolarHBondContact O-N 2.9Å; N198-L201 PolarHBondContact O-N 3.32Å; N198-L202 WeakPolarHBondContact O-CB 3.33Å; N198-L202 PolarHBondContact O-N 3.38Å
199	K	93.1	Very high	93.6	Very high	133 Å²	133	109.7 Å²	109.7	58%	0.578	55%	0.547	S	S	*	.	H	α-helix	trans	-62.3	-43.8	174.8	-79.7	-172.9	173.1	-169.9	0	112	I195 L196 Q197 L202 I203	I195-K199 HydrophobicContact CG2-CD 4.33Å; I195-K199 HydrophobicContact CG2-CG 4.48Å; I195-K199 WeakPolarHBondContact O-CB 3.46Å; I195-K199 WeakPolarHBondContact O-CG 3.33Å; I195-K199 PolarHBondContact O-N 3.48Å; L196-K199 PolarHBondContact O-N 3.24Å; Q197-K199 VanDerWaalsContact C-N 3.33Å; Q197-K199 PolarHBondContact O-N 3.42Å; K199-L202 PolarHBondContact O-N 3.32Å; K199-I203 WeakPolarHBondContact O-CG1 3.27Å; K199-I203 PolarHBondContact O-N 3.07Å
200	F	94.5	Very high	93.9	Very high	145 Å²	145	109 Å²	109	64%	0.636	54%	0.539	S	S	*	.	H	α-helix	trans	-63.1	-44.2	177.4	-176.7	-94.5	0	0	0	111.9	L196 Q197 L202 I203 T204	L196-F200 PolarHBondContact O-N 2.92Å; Q197-F200 PolarHBondContact O-N 2.83Å; F200-L202 VanDerWaalsContact C-N 3.34Å; F200-L202 PolarHBondContact O-N 3.3Å; F200-I203 PolarHBondContact O-N 3.15Å; F200-T204 WeakPolarHBondContact O-CB 3.43Å; F200-T204 PolarHBondContact O-N 3.06Å; F200-T204 PolarHBondContact O-OG1 2.89Å
201	L	94	Very high	94.1	Very high	108 Å²	108	109.6 Å²	109.6	57%	0.565	54%	0.54	S	S	*	.	H	α-helix	trans	-59.5	-45.1	174.5	-76.7	-179.9	0	0	0	111.6	Q197 N198 T204 V205	Q197-L201 PolarHBondContact O-N 3.45Å; N198-L201 PolarHBondContact O-N 3.32Å; L201-T204 WeakPolarHBondContact O-CB 3.45Å; L201-T204 PolarHBondContact O-N 3.37Å; L201-V205 WeakPolarHBondContact O-CG2 3.3Å; L201-V205 PolarHBondContact O-N 3.35Å
202	L	94.5	Very high	94.5	Very high	106 Å²	106	108.1 Å²	108.1	56%	0.555	54%	0.536	S	S	*	.	H	α-helix	trans	-61.3	-46.1	178.9	-179.8	140.7	0	0	0	112.3	N198 K199 F200 T204 V205 I206	N198-L202 WeakPolarHBondContact O-CB 3.33Å; N198-L202 PolarHBondContact O-N 3.38Å; K199-L202 PolarHBondContact O-N 3.32Å; F200-L202 VanDerWaalsContact C-N 3.34Å; F200-L202 PolarHBondContact O-N 3.3Å; L202-T204 VanDerWaalsContact C-N 3.31Å; L202-T204 PolarHBondContact O-N 3.27Å; L202-V205 PolarHBondContact O-N 3.09Å; L202-I206 HydrophobicContact CD2-CD1 3.61Å; L202-I206 HydrophobicContact CG-CD1 4.24Å; L202-I206 WeakPolarHBondContact O-CG1 3.4Å; L202-I206 PolarHBondContact O-N 2.86Å
203	I	96.3	Very high	94.8	Very high	110 Å²	110	110 Å²	110	56%	0.564	54%	0.537	S	S	*	.	H	α-helix	trans	-60.9	-42.9	176.2	-68.8	166.6	0	0	0	110.7	K199 F200 V205 I206 F207	K199-I203 WeakPolarHBondContact O-CG1 3.27Å; K199-I203 PolarHBondContact O-N 3.07Å; F200-I203 PolarHBondContact O-N 3.15Å; I203-V205 VanDerWaalsContact C-N 3.34Å; I203-V205 PolarHBondContact O-N 2.87Å; I203-I206 PolarHBondContact O-N 2.96Å; I203-F207 WeakPolarHBondContact O-CB 3.23Å; I203-F207 PolarHBondContact O-N 2.9Å
204	T	96.3	Very high	95	Very high	64 Å²	64	107.9 Å²	107.9	39%	0.393	53%	0.533	S	S	.	.	H	α-helix	trans	-60.2	-43.3	178.3	-54.5	0	0	0	0	111.7	F200 L201 L202 F207 L208	F200-T204 WeakPolarHBondContact O-CB 3.43Å; F200-T204 PolarHBondContact O-N 3.06Å; F200-T204 PolarHBondContact O-OG1 2.89Å; L201-T204 WeakPolarHBondContact O-CB 3.45Å; L201-T204 PolarHBondContact O-N 3.37Å; L202-T204 VanDerWaalsContact C-N 3.31Å; L202-T204 PolarHBondContact O-N 3.27Å; T204-F207 PolarHBondContact O-N 2.84Å; T204-L208 PolarHBondContact O-N 3.21Å
205	V	97	Very high	95.2	Very high	86 Å²	86	104.1 Å²	104.1	52%	0.521	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-44.8	178	171	0	0	0	0	111.4	L201 L202 I203 F207 L208 I209	L201-V205 WeakPolarHBondContact O-CG2 3.3Å; L201-V205 PolarHBondContact O-N 3.35Å; L202-V205 PolarHBondContact O-N 3.09Å; I203-V205 VanDerWaalsContact C-N 3.34Å; I203-V205 PolarHBondContact O-N 2.87Å; V205-F207 VanDerWaalsContact C-N 3.33Å; V205-F207 PolarHBondContact O-N 3.4Å; V205-L208 PolarHBondContact O-N 2.74Å; V205-I209 HydrophobicContact CG1-CD1 4.05Å; V205-I209 WeakPolarHBondContact O-CG1 3.36Å; V205-I209 PolarHBondContact O-N 2.9Å
206	I	96.8	Very high	95.4	Very high	91 Å²	91	102.8 Å²	102.8	47%	0.467	52%	0.521	S	S	.	.	H	α-helix	trans	-60	-45.7	177.2	-68.2	169.8	0	0	0	110.5	L202 I203 L208 I209 V210	L202-I206 HydrophobicContact CD2-CD1 3.61Å; L202-I206 HydrophobicContact CG-CD1 4.24Å; L202-I206 WeakPolarHBondContact O-CG1 3.4Å; L202-I206 PolarHBondContact O-N 2.86Å; I203-I206 PolarHBondContact O-N 2.96Å; I206-L208 VanDerWaalsContact C-N 3.31Å; I206-L208 PolarHBondContact O-N 3.17Å; I206-I209 PolarHBondContact O-N 3.41Å; I206-V210 HydrophobicContact CG2-CG2 4.46Å; I206-V210 WeakPolarHBondContact O-CG2 3.4Å; I206-V210 PolarHBondContact O-N 3.38Å
207	F	97.1	Very high	95.5	Very high	142 Å²	142	100.5 Å²	100.5	62%	0.623	51%	0.509	S	S	*	.	H	α-helix	trans	-59.1	-42.1	177.4	-176.6	-96.4	0	0	0	112.1	I203 T204 V205 V210 L211	I203-F207 WeakPolarHBondContact O-CB 3.23Å; I203-F207 PolarHBondContact O-N 2.9Å; T204-F207 PolarHBondContact O-N 2.84Å; V205-F207 VanDerWaalsContact C-N 3.33Å; V205-F207 PolarHBondContact O-N 3.4Å; F207-V210 PolarHBondContact O-N 2.76Å; F207-L211 HydrophobicContact CE1-CD1 4.06Å; F207-L211 HydrophobicContact CZ-CD1 4.47Å; F207-L211 WeakPolarHBondContact O-CB 3.46Å; F207-L211 PolarHBondContact O-N 3.06Å
208	L	96.9	Very high	95.6	Very high	106 Å²	106	102.1 Å²	102.1	56%	0.555	51%	0.511	S	S	*	.	H	α-helix	trans	-63.9	-41.5	177.6	-173.1	137.8	0	0	0	112.3	T204 V205 I206 L211 V212	T204-L208 PolarHBondContact O-N 3.21Å; V205-L208 PolarHBondContact O-N 2.74Å; I206-L208 VanDerWaalsContact C-N 3.31Å; I206-L208 PolarHBondContact O-N 3.17Å; L208-L211 PolarHBondContact O-N 3.05Å; L208-V212 WeakPolarHBondContact O-CG2 3.47Å; L208-V212 PolarHBondContact O-N 3.14Å
209	I	97.2	Very high	95.5	Very high	106 Å²	106	101.5 Å²	101.5	54%	0.544	51%	0.508	S	S	.	.	H	α-helix	trans	-61.9	-46.9	175.6	-67.7	167.5	0	0	0	110.6	V205 I206 L211 V212 F213	V205-I209 HydrophobicContact CG1-CD1 4.05Å; V205-I209 WeakPolarHBondContact O-CG1 3.36Å; V205-I209 PolarHBondContact O-N 2.9Å; I206-I209 PolarHBondContact O-N 3.41Å; I209-L211 VanDerWaalsContact C-N 3.32Å; I209-L211 PolarHBondContact O-N 3.43Å; I209-V212 PolarHBondContact O-N 3.04Å; I209-F213 WeakPolarHBondContact O-CB 3.39Å; I209-F213 PolarHBondContact O-N 3.4Å
210	V	97.2	Very high	95.4	Very high	63 Å²	63	99.9 Å²	99.9	38%	0.382	51%	0.509	S	S	.	.	H	α-helix	trans	-61.6	-42	178.4	171	0	0	0	0	110.9	I206 F207 F213 F214	I206-V210 HydrophobicContact CG2-CG2 4.46Å; I206-V210 WeakPolarHBondContact O-CG2 3.4Å; I206-V210 PolarHBondContact O-N 3.38Å; F207-V210 PolarHBondContact O-N 2.76Å; V210-F213 WeakPolarHBondContact O-CB 3.26Å; V210-F213 PolarHBondContact O-N 2.91Å; V210-F214 HydrophobicContact CG1-CD2 3.6Å; V210-F214 HydrophobicContact CG1-CE2 3.32Å; V210-F214 HydrophobicContact CG1-CZ 4.48Å; V210-F214 WeakPolarHBondContact O-CD2 3.41Å; V210-F214 PolarHBondContact O-N 3.43Å
211	L	96.3	Very high	95.2	Very high	82 Å²	82	96.6 Å²	96.6	43%	0.429	50%	0.501	S	S	.	.	H	α-helix	trans	-62.7	-43.3	177.1	-177.2	136.7	0	0	0	112.2	F207 L208 I209 F213 F214 L215	F207-L211 HydrophobicContact CE1-CD1 4.06Å; F207-L211 HydrophobicContact CZ-CD1 4.47Å; F207-L211 WeakPolarHBondContact O-CB 3.46Å; F207-L211 PolarHBondContact O-N 3.06Å; L208-L211 PolarHBondContact O-N 3.05Å; I209-L211 VanDerWaalsContact C-N 3.32Å; I209-L211 PolarHBondContact O-N 3.43Å; L211-F213 VanDerWaalsContact C-N 3.35Å; L211-F214 PolarHBondContact O-N 2.87Å; L211-L215 HydrophobicContact CD2-CD1 3.52Å; L211-L215 HydrophobicContact CG-CD1 4.23Å; L211-L215 WeakPolarHBondContact O-CB 3.36Å; L211-L215 PolarHBondContact O-N 3.12Å
212	V	96.4	Very high	95	Very high	75 Å²	75	98.2 Å²	98.2	46%	0.455	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-42.3	174.2	171.5	0	0	0	0	111.1	L208 I209 F214 L215 T216	L208-V212 WeakPolarHBondContact O-CG2 3.47Å; L208-V212 PolarHBondContact O-N 3.14Å; I209-V212 PolarHBondContact O-N 3.04Å; V212-F214 PolarHBondContact O-N 2.91Å; V212-L215 WeakPolarHBondContact O-CB 3.28Å; V212-L215 PolarHBondContact O-N 3.32Å; V212-T216 HydrophobicContact CG1-CG2 4.47Å; V212-T216 WeakPolarHBondContact O-CG2 3.41Å; V212-T216 PolarHBondContact O-N 3.02Å; V212-T216 PolarHBondContact O-OG1 3.34Å
213	F	96.3	Very high	94.5	Very high	127 Å²	127	102.6 Å²	102.6	56%	0.557	51%	0.508	S	S	*	.	H	α-helix	trans	-61.2	-42.5	177.2	-175.7	-99.9	0	0	0	112.4	I209 V210 L211 T216 I217	I209-F213 WeakPolarHBondContact O-CB 3.39Å; I209-F213 PolarHBondContact O-N 3.4Å; V210-F213 WeakPolarHBondContact O-CB 3.26Å; V210-F213 PolarHBondContact O-N 2.91Å; L211-F213 VanDerWaalsContact C-N 3.35Å; F213-T216 PolarHBondContact O-OG1 3.26Å; F213-I217 HydrophobicContact CD1-CD1 3.75Å; F213-I217 HydrophobicContact CE1-CD1 3.31Å; F213-I217 HydrophobicContact CE1-CG1 4.49Å; F213-I217 HydrophobicContact CE2-CD1 4.43Å; F213-I217 HydrophobicContact CG-CD1 4.48Å; F213-I217 HydrophobicContact CZ-CD1 3.7Å; F213-I217 WeakPolarHBondContact O-CG1 3.35Å; F213-I217 PolarHBondContact O-N 2.93Å
214	F	95.8	Very high	93.6	Very high	132 Å²	132	99.8 Å²	99.8	58%	0.579	50%	0.502	S	S	*	.	H	α-helix	trans	-67.8	-37.5	174.2	-76.3	-62.9	0	0	0	112.7	V210 L211 V212 I217 Y218	V210-F214 HydrophobicContact CG1-CD2 3.6Å; V210-F214 HydrophobicContact CG1-CE2 3.32Å; V210-F214 HydrophobicContact CG1-CZ 4.48Å; V210-F214 WeakPolarHBondContact O-CD2 3.41Å; V210-F214 PolarHBondContact O-N 3.43Å; L211-F214 PolarHBondContact O-N 2.87Å; V212-F214 PolarHBondContact O-N 2.91Å; F214-I217 PolarHBondContact O-N 3.32Å; F214-Y218 VanDerWaalsContact O-CB 3.3Å; F214-Y218 WeakPolarHBondContact O-CB 3.44Å; F214-Y218 PolarHBondContact O-N 2.95Å
215	L	95.2	Very high	92.6	Very high	84 Å²	84	101.1 Å²	101.1	44%	0.44	51%	0.51	S	S	.	.	H	α-helix	trans	-61.7	-43.4	175.1	-90.6	154.9	0	0	0	112.3	L211 V212 Y218 L219	L211-L215 HydrophobicContact CD2-CD1 3.52Å; L211-L215 HydrophobicContact CG-CD1 4.23Å; L211-L215 WeakPolarHBondContact O-CB 3.36Å; L211-L215 PolarHBondContact O-N 3.12Å; V212-L215 WeakPolarHBondContact O-CB 3.28Å; V212-L215 PolarHBondContact O-N 3.32Å; L215-Y218 PolarHBondContact O-N 3.27Å; L215-L219 WeakPolarHBondContact O-CB 3.28Å; L215-L219 VanDerWaalsContact O-CG 3.3Å; L215-L219 WeakPolarHBondContact O-CG 3.27Å; L215-L219 PolarHBondContact O-N 3.4Å
216	T	95	Very high	91.3	Very high	69 Å²	69	102.1 Å²	102.1	42%	0.423	51%	0.511	S	S	.	.	H	α-helix	trans	-65.7	-43.6	178.1	56.8	0	0	0	0	111.1	V212 F213 Y218 L219 V220	V212-T216 HydrophobicContact CG1-CG2 4.47Å; V212-T216 WeakPolarHBondContact O-CG2 3.41Å; V212-T216 PolarHBondContact O-N 3.02Å; V212-T216 PolarHBondContact O-OG1 3.34Å; F213-T216 PolarHBondContact O-OG1 3.26Å; T216-Y218 VanDerWaalsContact C-N 3.34Å; T216-Y218 PolarHBondContact O-N 2.98Å; T216-L219 PolarHBondContact O-N 3.33Å; T216-V220 WeakPolarHBondContact O-CB 3.46Å; T216-V220 VanDerWaalsContact O-CG2 3.23Å; T216-V220 WeakPolarHBondContact O-CG2 3.2Å; T216-V220 PolarHBondContact O-N 2.83Å
217	I	94.2	Very high	89.8	Confident	74 Å²	74	101 Å²	101	38%	0.379	51%	0.512	S	S	.	.	H	α-helix	trans	-60.2	-44.6	174.5	-68.6	171.7	0	0	0	110.9	F213 F214 V220 T221	F213-I217 HydrophobicContact CD1-CD1 3.75Å; F213-I217 HydrophobicContact CE1-CD1 3.31Å; F213-I217 HydrophobicContact CE1-CG1 4.49Å; F213-I217 HydrophobicContact CE2-CD1 4.43Å; F213-I217 HydrophobicContact CG-CD1 4.48Å; F213-I217 HydrophobicContact CZ-CD1 3.7Å; F213-I217 WeakPolarHBondContact O-CG1 3.35Å; F213-I217 PolarHBondContact O-N 2.93Å; F214-I217 PolarHBondContact O-N 3.32Å; I217-V220 PolarHBondContact O-N 2.84Å; I217-T221 HydrophobicContact CG2-CG2 4.29Å; I217-T221 WeakPolarHBondContact O-CB 3.35Å; I217-T221 WeakPolarHBondContact O-CG2 3.4Å; I217-T221 PolarHBondContact O-N 3.48Å; I217-T221 PolarHBondContact O-OG1 3.37Å
218	Y	92.9	Very high	88	Confident	135 Å²	135	98.7 Å²	98.7	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-43.6	178.7	178.6	-98.5	0	0	0	112.1	F214 L215 T216 T221 R222	F214-Y218 VanDerWaalsContact O-CB 3.3Å; F214-Y218 WeakPolarHBondContact O-CB 3.44Å; F214-Y218 PolarHBondContact O-N 2.95Å; L215-Y218 PolarHBondContact O-N 3.27Å; T216-Y218 VanDerWaalsContact C-N 3.34Å; T216-Y218 PolarHBondContact O-N 2.98Å; Y218-T221 PolarHBondContact O-OG1 2.86Å; Y218-T221 VanDerWaalsContact O-OG1 3.12Å; Y218-R222 VanDerWaalsContact O-CB 3.23Å; Y218-R222 WeakPolarHBondContact O-CB 3.19Å; Y218-R222 PolarHBondContact O-N 3.43Å
219	L	92.1	Very high	86.2	Confident	94 Å²	94	99.5 Å²	99.5	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-66.6	-39.4	177.5	-72.9	176.2	0	0	0	112.2	L215 T216 R223	L215-L219 WeakPolarHBondContact O-CB 3.28Å; L215-L219 VanDerWaalsContact O-CG 3.3Å; L215-L219 WeakPolarHBondContact O-CG 3.27Å; L215-L219 PolarHBondContact O-N 3.4Å; T216-L219 PolarHBondContact O-N 3.33Å; L219-R223 VanDerWaalsContact O-CB 3.31Å; L219-R223 WeakPolarHBondContact O-CB 3.26Å; L219-R223 WeakPolarHBondContact O-CG 3.49Å; L219-R223 PolarHBondContact O-N 2.89Å
220	V	91.7	Very high	84.4	Confident	99 Å²	99	97.9 Å²	97.9	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-68.4	-48.1	178.7	168.9	0	0	0	0	111.1	T216 I217 R222 R223 A224	T216-V220 WeakPolarHBondContact O-CB 3.46Å; T216-V220 VanDerWaalsContact O-CG2 3.23Å; T216-V220 WeakPolarHBondContact O-CG2 3.2Å; T216-V220 PolarHBondContact O-N 2.83Å; I217-V220 PolarHBondContact O-N 2.84Å; V220-R222 PolarHBondContact O-N 2.66Å; V220-R223 PolarHBondContact O-N 3.5Å; V220-A224 WeakPolarHBondContact O-CB 3.25Å; V220-A224 PolarHBondContact O-N 2.87Å
221	T	89.9	Confident	82.5	Confident	76 Å²	76	98.6 Å²	98.6	47%	0.466	52%	0.52	S	S	.	.	H	α-helix	trans	-62.9	-44	179.1	49.9	0	0	0	0	111.2	I217 Y218 A224 T225	I217-T221 HydrophobicContact CG2-CG2 4.29Å; I217-T221 WeakPolarHBondContact O-CB 3.35Å; I217-T221 WeakPolarHBondContact O-CG2 3.4Å; I217-T221 PolarHBondContact O-N 3.48Å; I217-T221 PolarHBondContact O-OG1 3.37Å; Y218-T221 PolarHBondContact O-OG1 2.86Å; Y218-T221 VanDerWaalsContact O-OG1 3.12Å; T221-A224 PolarHBondContact O-N 3.48Å; T221-T225 PolarHBondContact O-N 3.32Å; T221-T225 VanDerWaalsContact O-N 3.11Å; T221-T225 PolarHBondContact O-OG1 3.49Å
222	R	89.7	Confident	80.6	Confident	142 Å²	142	98.1 Å²	98.1	54%	0.536	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-42.4	175.7	-174.6	178.9	173.5	-166.1	-1.8	112.9	Y218 V220 A224 T225 I226	Y218-R222 VanDerWaalsContact O-CB 3.23Å; Y218-R222 WeakPolarHBondContact O-CB 3.19Å; Y218-R222 PolarHBondContact O-N 3.43Å; V220-R222 PolarHBondContact O-N 2.66Å; R222-A224 VanDerWaalsContact C-N 3.35Å; R222-T225 PolarHBondContact O-N 2.79Å; R222-I226 HydrophobicContact CG-CD1 4.41Å; R222-I226 WeakPolarHBondContact O-CG1 3.41Å; R222-I226 PolarHBondContact O-N 3.5Å
223	R	84.1	Confident	78.7	Confident	197 Å²	197	98.1 Å²	98.1	74%	0.743	53%	0.531	S	S	*	.	H	α-helix	trans	-61.8	-42.6	176.2	-83.9	-176.1	163.5	-152.2	-3.4	111.7	L219 V220 T225 I226 S227	L219-R223 VanDerWaalsContact O-CB 3.31Å; L219-R223 WeakPolarHBondContact O-CB 3.26Å; L219-R223 WeakPolarHBondContact O-CG 3.49Å; L219-R223 PolarHBondContact O-N 2.89Å; V220-R223 PolarHBondContact O-N 3.5Å; R223-T225 VanDerWaalsContact C-N 3.31Å; R223-T225 PolarHBondContact O-N 2.9Å; R223-I226 PolarHBondContact O-N 3.08Å; R223-S227 PolarHBondContact O-N 3.33Å
224	A	77.8	Confident	76.8	Confident	52 Å²	52	96.9 Å²	96.9	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-61	-38.9	177	0	0	0	0	0	112.1	V220 T221 R222 I226 S227 T228	V220-A224 WeakPolarHBondContact O-CB 3.25Å; V220-A224 PolarHBondContact O-N 2.87Å; T221-A224 PolarHBondContact O-N 3.48Å; R222-A224 VanDerWaalsContact C-N 3.35Å; A224-I226 VanDerWaalsContact C-N 3.35Å; A224-I226 PolarHBondContact O-N 3.47Å; A224-S227 PolarHBondContact O-N 3.37Å; A224-S227 PolarHBondContact O-OG 3.35Å; A224-T228 PolarHBondContact O-N 2.77Å
225	T	75.9	Confident	75	Confident	92 Å²	92	95.9 Å²	95.9	56%	0.564	54%	0.539	S	S	*	.	H	α-helix	trans	-66.3	-32.5	176.4	-47.7	0	0	0	0	113.3	T221 R222 R223 T228	T221-T225 PolarHBondContact O-N 3.32Å; T221-T225 VanDerWaalsContact O-N 3.11Å; T221-T225 PolarHBondContact O-OG1 3.49Å; R222-T225 PolarHBondContact O-N 2.79Å; R223-T225 VanDerWaalsContact C-N 3.31Å; R223-T225 PolarHBondContact O-N 2.9Å; T225-T228 PolarHBondContact O-OG1 3.16Å
226	I	68.6	Low	73.2	Confident	106 Å²	106	99.4 Å²	99.4	54%	0.544	56%	0.558	S	S	.	*	H	α-helix	trans	-72.8	-38.9	179.3	-64.5	166.6	0	0	0	111	R222 R223 A224 T228 N229 S230	R222-I226 HydrophobicContact CG-CD1 4.41Å; R222-I226 WeakPolarHBondContact O-CG1 3.41Å; R222-I226 PolarHBondContact O-N 3.5Å; R223-I226 PolarHBondContact O-N 3.08Å; A224-I226 VanDerWaalsContact C-N 3.35Å; A224-I226 PolarHBondContact O-N 3.47Å; I226-T228 VanDerWaalsContact C-N 3.35Å; I226-T228 PolarHBondContact O-N 2.95Å; I226-N229 PolarHBondContact O-N 2.88Å; I226-S230 PolarHBondContact O-N 3.05Å
227	S	65	Low	71.2	Confident	68 Å²	68	101.1 Å²	101.1	48%	0.476	57%	0.573	S	S	.	*	H	α-helix	trans	-67.2	-32	-178.9	50	0	0	0	0	113.8	R223 A224 N229 S230	R223-S227 PolarHBondContact O-N 3.33Å; A224-S227 PolarHBondContact O-N 3.37Å; A224-S227 PolarHBondContact O-OG 3.35Å; S227-N229 VanDerWaalsContact C-N 3.32Å; S227-S230 PolarHBondContact O-OG 2.73Å
228	T	60.9	Low	69.2	Low	93 Å²	93	101.4 Å²	101.4	57%	0.571	58%	0.581	S	S	*	*	H	α-helix	trans	-68.9	-35	177.3	56.7	0	0	0	0	111.4	A224 T225 I226 S230 S231 S232	A224-T228 PolarHBondContact O-N 2.77Å; T225-T228 PolarHBondContact O-OG1 3.16Å; I226-T228 VanDerWaalsContact C-N 3.35Å; I226-T228 PolarHBondContact O-N 2.95Å; T228-S230 PolarHBondContact O-N 3.3Å; T228-S231 PolarHBondContact O-N 3.13Å; T228-S232 PolarHBondContact O-OG 3.45Å
229	N	58.7	Low	66.8	Low	124 Å²	124	103.7 Å²	103.7	66%	0.663	60%	0.597	S	S	*	*	H	α-helix	trans	-74.2	-24.6	-176	-137.4	34.8	0	0	0	113.3	I226 S227 S232	I226-N229 PolarHBondContact O-N 2.88Å; S227-N229 VanDerWaalsContact C-N 3.32Å; N229-S232 PolarHBondContact O-OG 3.49Å
230	S	59.3	Low	64.8	Low	72 Å²	72	108.3 Å²	108.3	50%	0.503	63%	0.632	S	S	.	*	H	α-helix	trans	-75.7	-31.3	173.6	48.3	0	0	0	0	113.2	I226 S227 T228 A233	I226-S230 PolarHBondContact O-N 3.05Å; S227-S230 PolarHBondContact O-OG 2.73Å; T228-S230 PolarHBondContact O-N 3.3Å; S230-A233 PolarHBondContact O-N 2.84Å
231	S	56	Low	63.5	Low	77 Å²	77	108.8 Å²	108.8	54%	0.538	63%	0.634	S	S	.	*	H	α-helix	trans	-73.2	-28.7	-179.4	-65.2	0	0	0	0	112.9	T228 A233 T234	T228-S231 PolarHBondContact O-N 3.13Å; S231-A233 VanDerWaalsContact C-N 3.34Å; S231-T234 PolarHBondContact O-OG1 3.3Å
232	S	56.5	Low	62.1	Low	73 Å²	73	110.5 Å²	110.5	51%	0.51	64%	0.643	S	S	.	*	H	α-helix	trans	-74.7	-22.7	175.1	30.5	0	0	0	0	113.1	T228 N229	T228-S232 PolarHBondContact O-OG 3.45Å; N229-S232 PolarHBondContact O-OG 3.49Å
233	A	56.6	Low	60.5	Low	74 Å²	74	108.7 Å²	108.7	61%	0.612	65%	0.649	S	S	*	*	H	α-helix	trans	-74.8	-25.9	178.2	0	0	0	0	0	113.4	S230 S231	S230-A233 PolarHBondContact O-N 2.84Å; S231-A233 VanDerWaalsContact C-N 3.34Å
234	T	57	Low	59.2	Low	102 Å²	102	103.5 Å²	103.5	63%	0.626	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-14.4	-179	50.7	0	0	0	0	114.3	S231	S231-T234 PolarHBondContact O-OG1 3.3Å
235	V	58.5	Low	58	Low	111 Å²	111	106.8 Å²	106.8	67%	0.673	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-84.9	-18.7	-177.9	179.4	0	0	0	0	112.2
236	N	56.2	Low	56.8	Low	157 Å²	157	107.7 Å²	107.7	84%	0.84	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-96.5	12.6	-173.2	-142.1	23.3	0	0	0	115.4
237	S	54.3	Low	56	Low	105 Å²	105	107.9 Å²	107.9	73%	0.734	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-115.7	21.3	176.2	70.3	0	0	0	0	114.1
238	S	50.9	Low	55.3	Low	80 Å²	80	110.9 Å²	110.9	56%	0.559	69%	0.686	S	S	*	*	S	Bend	trans	-140.5	74.7	-179.9	55.2	0	0	0	0	112
239	H	43.2	Very low	54.8	Low	183 Å²	183	112.4 Å²	112.4	85%	0.847	70%	0.696	S	S	*	*				-179.3	135.1	114.5	-111.5	-89.1	0	0	0	110.5
240	P	50.6	Low	54.4	Low	191 Å²	191	111.4 Å²	111.4	100%	1.24	70%	0.698	S	S	*	*			trans	-71.2	0	178.8	31.9	-36.7	0	0	0	113.7

Retrieved 240 of 240 residues in 202.9 ms (Link to these results)

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