A0A3Q0KMF9_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KMF9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 185 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	76.9	Confident	87.2	Confident	171 Å²	171	93.5 Å²	93.5	84%	0.842	45%	0.452	S	S	*	.				0	-69.6	0	-76.1	-146.7	-75.7	0	0	114.8	E3 E4 L5	M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 2.91Å; M1-E4 PolarHBondContact N-OE1 3.37Å; M1-E4 WeakPolarHBondContact O-CB 3.44Å; M1-E4 PolarHBondContact O-N 3.29Å; M1-E4 VanDerWaalsContact O-N 3.12Å; M1-L5 WeakPolarHBondContact O-CG 3.39Å; M1-L5 PolarHBondContact O-N 3.05Å
2	R	82.6	Confident	87.2	Confident	122 Å²	122	89.3 Å²	89.3	46%	0.46	43%	0.433	S	S	.	.	H	α-helix	trans	-53.5	-46.6	-177.9	-174.8	-176.1	-171.7	-94.4	-4.3	113.3	L5 S6 D123	R2-L5 PolarHBondContact O-N 3.1Å; R2-S6 PolarHBondContact O-N 3.07Å; R2-D123 VanDerWaalsContact CD-OD1 3.25Å; R2-D123 WeakPolarHBondContact CD-OD1 3.41Å; R2-D123 WeakPolarHBondContact CG-OD1 3.49Å; R2-D123 IonicContact CZ-OD1 3.66Å; R2-D123 IonicContact NE-OD1 2.69Å; R2-D123 PolarHBondContact NE-OD1 3.31Å; R2-D123 IonicContact NH2-OD1 3.92Å
3	E	87.4	Confident	87.2	Confident	114 Å²	114	87.5 Å²	87.5	53%	0.533	42%	0.423	S	S	.	.	H	α-helix	trans	-60.9	-45.6	177.9	-174.7	55.1	-146	0	0	111.9	M1 L5 S6 Q7	M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 2.91Å; E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.17Å; E3-S6 PolarHBondContact O-N 3.34Å; E3-Q7 WeakPolarHBondContact O-CB 3.42Å; E3-Q7 VanDerWaalsContact O-CG 3.29Å; E3-Q7 WeakPolarHBondContact O-CG 3.47Å; E3-Q7 PolarHBondContact O-N 3.46Å; E3-Q7 PolarHBondContact OE1-NE2 3.02Å
4	E	89.5	Confident	87.3	Confident	124 Å²	124	85.6 Å²	85.6	58%	0.579	41%	0.414	S	S	*	.	H	α-helix	trans	-61.3	-39.8	176.7	-66.4	152.2	-119.8	0	0	112.5	M1 K8	M1-E4 PolarHBondContact N-OE1 3.37Å; M1-E4 WeakPolarHBondContact O-CB 3.44Å; M1-E4 PolarHBondContact O-N 3.29Å; M1-E4 VanDerWaalsContact O-N 3.12Å; E4-K8 VanDerWaalsContact O-CB 3.28Å; E4-K8 WeakPolarHBondContact O-CB 3.3Å; E4-K8 PolarHBondContact O-N 3.22Å
5	L	88	Confident	87.4	Confident	41 Å²	41	89.6 Å²	89.6	22%	0.215	42%	0.422	C	S	.	.	H	α-helix	trans	-68.2	-41.6	178.4	-69	168	0	0	0	111.6	M1 R2 E3 K8 L9 I122 I127	M1-L5 WeakPolarHBondContact O-CG 3.39Å; M1-L5 PolarHBondContact O-N 3.05Å; R2-L5 PolarHBondContact O-N 3.1Å; E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.17Å; L5-K8 WeakPolarHBondContact O-CB 3.19Å; L5-K8 PolarHBondContact O-N 2.99Å; L5-L9 PolarHBondContact O-N 3.36Å; L5-I122 HydrophobicContact CB-CG2 4.08Å; L5-I122 WeakPolarHBondContact CD1-O 3.32Å; L5-I127 HydrophobicContact CB-CD1 4.02Å; L5-I127 HydrophobicContact CD2-CD1 3.73Å; L5-I127 HydrophobicContact CD2-CG1 3.99Å; L5-I127 HydrophobicContact CG-CD1 4.46Å
6	S	86.7	Confident	87.3	Confident	48 Å²	48	88.7 Å²	88.7	34%	0.336	42%	0.416	S	S	.	.	H	α-helix	trans	-61.5	-47.8	173.8	-174.1	0	0	0	0	111.5	R2 E3 K8 L9 H10	R2-S6 PolarHBondContact O-N 3.07Å; E3-S6 PolarHBondContact O-N 3.34Å; S6-K8 VanDerWaalsContact C-N 3.3Å; S6-K8 PolarHBondContact O-N 2.81Å; S6-L9 PolarHBondContact O-N 3.07Å; S6-H10 PolarHBondContact O-N 3.5Å
7	Q	90.2	Very high	87.3	Confident	111 Å²	111	92.2 Å²	92.2	52%	0.519	43%	0.425	S	S	.	.	H	α-helix	trans	-61.1	-39.3	175.8	-71.6	176	8.5	0	0	112	E3 H10 S11	E3-Q7 WeakPolarHBondContact O-CB 3.42Å; E3-Q7 VanDerWaalsContact O-CG 3.29Å; E3-Q7 WeakPolarHBondContact O-CG 3.47Å; E3-Q7 PolarHBondContact O-N 3.46Å; E3-Q7 PolarHBondContact OE1-NE2 3.02Å; Q7-H10 PolarHBondContact O-N 3.04Å; Q7-S11 WeakPolarHBondContact O-CB 3.4Å; Q7-S11 PolarHBondContact O-N 2.91Å
8	K	91.7	Very high	87.3	Confident	111 Å²	111	91.8 Å²	91.8	48%	0.483	43%	0.426	S	S	.	.	H	α-helix	trans	-63	-45.9	176	-175.7	64.2	173.9	-164.9	0	111.6	E4 L5 S6 S11 L12	E4-K8 VanDerWaalsContact O-CB 3.28Å; E4-K8 WeakPolarHBondContact O-CB 3.3Å; E4-K8 PolarHBondContact O-N 3.22Å; L5-K8 WeakPolarHBondContact O-CB 3.19Å; L5-K8 PolarHBondContact O-N 2.99Å; S6-K8 VanDerWaalsContact C-N 3.3Å; S6-K8 PolarHBondContact O-N 2.81Å; K8-S11 WeakPolarHBondContact O-CB 3.36Å; K8-S11 PolarHBondContact O-N 3.23Å; K8-L12 HydrophobicContact CG-CD1 4.48Å; K8-L12 WeakPolarHBondContact O-CG 3.25Å; K8-L12 PolarHBondContact O-N 3.27Å
9	L	88.9	Confident	87.1	Confident	7 Å²	7	90.6 Å²	90.6	4%	0.037	42%	0.422	C	S	.	.	H	α-helix	trans	-60.1	-48	176.6	179.3	65.1	0	0	0	111.1	L5 S6 S11 L12 Q13 L118 I122 A130 E131	L5-L9 PolarHBondContact O-N 3.36Å; S6-L9 PolarHBondContact O-N 3.07Å; L9-S11 VanDerWaalsContact C-N 3.32Å; L9-S11 PolarHBondContact O-N 3.4Å; L9-L12 WeakPolarHBondContact O-CB 3.43Å; L9-L12 PolarHBondContact O-N 3.2Å; L9-L12 VanDerWaalsContact O-N 3.14Å; L9-Q13 WeakPolarHBondContact O-CG 3.31Å; L9-Q13 PolarHBondContact O-N 3.34Å; L9-L118 HydrophobicContact CD2-CD1 4.13Å; L9-I122 HydrophobicContact CD2-CD1 3.6Å; L9-I122 HydrophobicContact CD2-CG1 3.9Å; L9-A130 HydrophobicContact CD1-CB 4.17Å; L9-A130 HydrophobicContact CD2-CB 4.05Å; L9-E131 HydrophobicContact CD1-CB 4.47Å
10	H	88.9	Confident	87	Confident	122 Å²	122	89.7 Å²	89.7	57%	0.565	43%	0.425	S	S	*	.	H	α-helix	trans	-60	-42.2	177.5	-175.1	-84.9	0	0	0	111.9	S6 Q7 L12 Q13 E14	S6-H10 PolarHBondContact O-N 3.5Å; Q7-H10 PolarHBondContact O-N 3.04Å; H10-L12 VanDerWaalsContact C-N 3.31Å; H10-L12 PolarHBondContact O-N 2.96Å; H10-Q13 PolarHBondContact O-N 3.32Å; H10-E14 WeakPolarHBondContact O-CB 3.3Å; H10-E14 PolarHBondContact O-N 2.99Å
11	S	88.6	Confident	87	Confident	57 Å²	57	89 Å²	89	40%	0.399	43%	0.43	S	S	.	.	H	α-helix	trans	-60.9	-39.1	175.8	-175.6	0	0	0	0	112.7	Q7 K8 L9 R15	Q7-S11 WeakPolarHBondContact O-CB 3.4Å; Q7-S11 PolarHBondContact O-N 2.91Å; K8-S11 WeakPolarHBondContact O-CB 3.36Å; K8-S11 PolarHBondContact O-N 3.23Å; L9-S11 VanDerWaalsContact C-N 3.32Å; L9-S11 PolarHBondContact O-N 3.4Å; S11-R15 VanDerWaalsContact O-CB 3.32Å; S11-R15 WeakPolarHBondContact O-CB 3.46Å; S11-R15 PolarHBondContact O-N 3.31Å
12	L	87.5	Confident	87.4	Confident	43 Å²	43	85.2 Å²	85.2	23%	0.225	41%	0.406	C	S	.	.	H	α-helix	trans	-68.6	-46.4	176.7	-71.2	173.2	0	0	0	111.7	K8 L9 H10 E14 R15 K16 I127	K8-L12 HydrophobicContact CG-CD1 4.48Å; K8-L12 WeakPolarHBondContact O-CG 3.25Å; K8-L12 PolarHBondContact O-N 3.27Å; L9-L12 WeakPolarHBondContact O-CB 3.43Å; L9-L12 PolarHBondContact O-N 3.2Å; L9-L12 VanDerWaalsContact O-N 3.14Å; H10-L12 VanDerWaalsContact C-N 3.31Å; H10-L12 PolarHBondContact O-N 2.96Å; L12-E14 VanDerWaalsContact C-N 3.33Å; L12-E14 PolarHBondContact O-N 3.39Å; L12-R15 PolarHBondContact O-N 3.41Å; L12-K16 WeakPolarHBondContact O-CB 3.44Å; L12-K16 PolarHBondContact O-N 3.32Å; L12-I127 HydrophobicContact CD1-CG2 3.75Å
13	Q	87	Confident	87.5	Confident	66 Å²	66	80.9 Å²	80.9	31%	0.308	40%	0.395	S	S	.	.	H	α-helix	trans	-57.9	-46.4	176	-72	168.8	-29.2	0	0	111.3	L9 H10 K16 R17 S134	L9-Q13 WeakPolarHBondContact O-CG 3.31Å; L9-Q13 PolarHBondContact O-N 3.34Å; H10-Q13 PolarHBondContact O-N 3.32Å; Q13-K16 PolarHBondContact O-N 2.98Å; Q13-R17 WeakPolarHBondContact O-CB 3.44Å; Q13-R17 PolarHBondContact O-N 3.08Å; Q13-S134 PolarHBondContact NE2-OG 3.37Å
14	E	87.9	Confident	87.6	Confident	62 Å²	62	79.6 Å²	79.6	29%	0.29	39%	0.394	S	S	.	.	H	α-helix	trans	-64.9	-43.3	179	-179.2	55.5	-159.5	0	0	111.5	H10 L12 K16 R17 L18	H10-E14 WeakPolarHBondContact O-CB 3.3Å; H10-E14 PolarHBondContact O-N 2.99Å; L12-E14 VanDerWaalsContact C-N 3.33Å; L12-E14 PolarHBondContact O-N 3.39Å; E14-K16 VanDerWaalsContact C-N 3.33Å; E14-K16 PolarHBondContact O-N 3.31Å; E14-R17 PolarHBondContact O-N 3.2Å; E14-R17 IonicContact OE1-CZ 2.92Å; E14-R17 IonicContact OE1-NE 2.81Å; E14-R17 IonicContact OE1-NH2 3.78Å; E14-R17 PolarHBondContact OE1-NH2 2.91Å; E14-R17 IonicContact OE2-CZ 2.82Å; E14-R17 IonicContact OE2-NE 2.98Å; E14-R17 PolarHBondContact OE2-NE 3.18Å; E14-R17 IonicContact OE2-NH2 2.68Å; E14-R17 PolarHBondContact OE2-NH2 3.48Å; E14-L18 HydrophobicContact CG-CD1 4.2Å; E14-L18 WeakPolarHBondContact O-CB 3.36Å; E14-L18 VanDerWaalsContact O-CG 3.29Å; E14-L18 WeakPolarHBondContact O-CG 3.48Å; E14-L18 PolarHBondContact O-N 2.98Å
15	R	88.6	Confident	87.7	Confident	145 Å²	145	76.7 Å²	76.7	55%	0.547	38%	0.38	S	S	.	.	H	α-helix	trans	-58.8	-45.2	174.1	177.1	177	-74.3	140.1	-1.3	111.5	S11 L12 L18 M19	S11-R15 VanDerWaalsContact O-CB 3.32Å; S11-R15 WeakPolarHBondContact O-CB 3.46Å; S11-R15 PolarHBondContact O-N 3.31Å; L12-R15 PolarHBondContact O-N 3.41Å; R15-L18 PolarHBondContact O-N 3.41Å; R15-M19 WeakPolarHBondContact O-CG 3.45Å; R15-M19 PolarHBondContact O-N 2.76Å
16	K	86.4	Confident	87.7	Confident	75 Å²	75	76.3 Å²	76.3	33%	0.326	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-47.5	177.9	-175.1	177.5	-176.6	172	0	110.9	L12 Q13 E14 L18 M19 C20 E131 D135	L12-K16 WeakPolarHBondContact O-CB 3.44Å; L12-K16 PolarHBondContact O-N 3.32Å; Q13-K16 PolarHBondContact O-N 2.98Å; E14-K16 VanDerWaalsContact C-N 3.33Å; E14-K16 PolarHBondContact O-N 3.31Å; K16-L18 VanDerWaalsContact C-N 3.35Å; K16-L18 PolarHBondContact O-N 2.84Å; K16-M19 PolarHBondContact O-N 3.49Å; K16-C20 PolarHBondContact O-N 3.43Å; K16-C20 PolarHBondContact O-SG 3.24Å; K16-C20 VanDerWaalsContact O-SG 3.37Å; K16-E131 IonicContact NZ-OE1 3.91Å; K16-D135 IonicContact NZ-OD1 3.22Å; K16-D135 PolarHBondContact NZ-OD1 3.39Å; K16-D135 IonicContact NZ-OD2 3.53Å; K16-D135 PolarHBondContact NZ-OD2 2.93Å
17	R	87.7	Confident	87.9	Confident	148 Å²	148	82 Å²	82	56%	0.558	39%	0.392	S	S	*	.	H	α-helix	trans	-55.9	-47.3	176	-170.2	-175.1	74.1	92.6	0.4	111.9	Q13 E14 C20 S21	Q13-R17 WeakPolarHBondContact O-CB 3.44Å; Q13-R17 PolarHBondContact O-N 3.08Å; E14-R17 PolarHBondContact O-N 3.2Å; E14-R17 IonicContact OE1-CZ 2.92Å; E14-R17 IonicContact OE1-NE 2.81Å; E14-R17 IonicContact OE1-NH2 3.78Å; E14-R17 PolarHBondContact OE1-NH2 2.91Å; E14-R17 IonicContact OE2-CZ 2.82Å; E14-R17 IonicContact OE2-NE 2.98Å; E14-R17 PolarHBondContact OE2-NE 3.18Å; E14-R17 IonicContact OE2-NH2 2.68Å; E14-R17 PolarHBondContact OE2-NH2 3.48Å; R17-C20 PolarHBondContact O-N 2.97Å; R17-S21 WeakPolarHBondContact O-CB 3.42Å; R17-S21 PolarHBondContact O-N 3.42Å
18	L	86.2	Confident	87.9	Confident	86 Å²	86	79.9 Å²	79.9	45%	0.45	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-41.6	177.7	-70.9	172	0	0	0	112.2	E14 R15 K16 R22	E14-L18 HydrophobicContact CG-CD1 4.2Å; E14-L18 WeakPolarHBondContact O-CB 3.36Å; E14-L18 VanDerWaalsContact O-CG 3.29Å; E14-L18 WeakPolarHBondContact O-CG 3.48Å; E14-L18 PolarHBondContact O-N 2.98Å; R15-L18 PolarHBondContact O-N 3.41Å; K16-L18 VanDerWaalsContact C-N 3.35Å; K16-L18 PolarHBondContact O-N 2.84Å; L18-R22 WeakPolarHBondContact O-CB 3.34Å; L18-R22 PolarHBondContact O-N 2.95Å
19	M	83.5	Confident	87.9	Confident	69 Å²	69	74.6 Å²	74.6	34%	0.34	36%	0.359	S	S	.	.	H	α-helix	trans	-65.2	-43.6	176.3	-72.7	-57.7	98.1	0	0	112.2	R15 K16 R22 S23 W171	R15-M19 WeakPolarHBondContact O-CG 3.45Å; R15-M19 PolarHBondContact O-N 2.76Å; K16-M19 PolarHBondContact O-N 3.49Å; M19-R22 PolarHBondContact O-N 3.42Å; M19-S23 VanDerWaalsContact O-CB 3.28Å; M19-S23 WeakPolarHBondContact O-CB 3.36Å; M19-S23 PolarHBondContact O-N 2.94Å; M19-W171 HydrophobicContact CB-CH2 4.13Å; M19-W171 HydrophobicContact CG-CH2 4.39Å; M19-W171 HydrophobicContact SD-CH2 4.35Å
20	C	86.1	Confident	88	Confident	72 Å²	72	78.8 Å²	78.8	49%	0.486	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-50.6	175.4	-71.2	0	0	0	0	111.3	K16 R17 R22 S23 T24	K16-C20 PolarHBondContact O-N 3.43Å; K16-C20 PolarHBondContact O-SG 3.24Å; K16-C20 VanDerWaalsContact O-SG 3.37Å; R17-C20 PolarHBondContact O-N 2.97Å; C20-R22 VanDerWaalsContact C-N 3.31Å; C20-R22 PolarHBondContact O-N 3.48Å; C20-S23 WeakPolarHBondContact O-CB 3.33Å; C20-S23 PolarHBondContact O-N 3.37Å; C20-S23 VanDerWaalsContact O-N 3.15Å; C20-T24 PolarHBondContact O-N 3.45Å; C20-T24 PolarHBondContact O-OG1 3.12Å; C20-T24 VanDerWaalsContact O-OG1 3.12Å
21	S	86.5	Confident	88.3	Confident	75 Å²	75	77.9 Å²	77.9	52%	0.524	38%	0.377	S	S	.	.	H	α-helix	trans	-55.5	-46.8	177.2	177.1	0	0	0	0	111.7	R17 S23 T24 K25	R17-S21 WeakPolarHBondContact O-CB 3.42Å; R17-S21 PolarHBondContact O-N 3.42Å; S21-S23 PolarHBondContact O-N 2.96Å; S21-T24 PolarHBondContact O-N 3.27Å; S21-K25 PolarHBondContact O-N 2.77Å
22	R	86.3	Confident	88.6	Confident	91 Å²	91	79 Å²	79	34%	0.343	38%	0.375	S	S	.	.	H	α-helix	trans	-63.8	-41.8	177.4	-175.2	175.6	175.7	-155.9	-11.4	112.7	L18 M19 C20 K25 I26 V67	L18-R22 WeakPolarHBondContact O-CB 3.34Å; L18-R22 PolarHBondContact O-N 2.95Å; M19-R22 PolarHBondContact O-N 3.42Å; C20-R22 VanDerWaalsContact C-N 3.31Å; C20-R22 PolarHBondContact O-N 3.48Å; R22-K25 PolarHBondContact O-N 3.19Å; R22-I26 HydrophobicContact CG-CD1 4.15Å; R22-I26 WeakPolarHBondContact O-CB 3.49Å; R22-I26 VanDerWaalsContact O-CG1 3.29Å; R22-I26 WeakPolarHBondContact O-CG1 3.49Å; R22-I26 PolarHBondContact O-N 3.38Å; R22-V67 VanDerWaalsContact CZ-O 3.23Å; R22-V67 PolarHBondContact NE-O 3.21Å; R22-V67 PolarHBondContact NH2-O 3.02Å
23	S	84.8	Confident	88.8	Confident	32 Å²	32	79.9 Å²	79.9	22%	0.224	38%	0.375	C	S	.	.	H	α-helix	trans	-63.1	-44.5	177.1	-173.5	0	0	0	0	111.5	M19 C20 S21 K25 I26 R27	M19-S23 VanDerWaalsContact O-CB 3.28Å; M19-S23 WeakPolarHBondContact O-CB 3.36Å; M19-S23 PolarHBondContact O-N 2.94Å; C20-S23 WeakPolarHBondContact O-CB 3.33Å; C20-S23 PolarHBondContact O-N 3.37Å; C20-S23 VanDerWaalsContact O-N 3.15Å; S21-S23 PolarHBondContact O-N 2.96Å; S23-K25 PolarHBondContact O-N 2.91Å; S23-I26 WeakPolarHBondContact O-CB 3.44Å; S23-I26 PolarHBondContact O-N 3.08Å; S23-R27 PolarHBondContact O-N 3.3Å
24	T	89.7	Confident	89.1	Confident	86 Å²	86	83 Å²	83	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-59.7	-46.6	174.4	-61.1	0	0	0	0	111.2	C20 S21 I26 R27 E28	C20-T24 PolarHBondContact O-N 3.45Å; C20-T24 PolarHBondContact O-OG1 3.12Å; C20-T24 VanDerWaalsContact O-OG1 3.12Å; S21-T24 PolarHBondContact O-N 3.27Å; T24-I26 VanDerWaalsContact C-N 3.31Å; T24-I26 PolarHBondContact O-N 3.24Å; T24-R27 PolarHBondContact O-N 2.56Å; T24-R27 VanDerWaalsContact O-N 3.17Å; T24-E28 PolarHBondContact O-N 3.07Å
25	K	90.2	Very high	89.4	Confident	64 Å²	64	84.2 Å²	84.2	28%	0.278	40%	0.395	S	S	.	.	H	α-helix	trans	-64.7	-36.2	178.9	-166.8	68.5	-167.7	170.9	0	112.5	S21 R22 S23 E28 V29 V67	S21-K25 PolarHBondContact O-N 2.77Å; R22-K25 PolarHBondContact O-N 3.19Å; S23-K25 PolarHBondContact O-N 2.91Å; K25-E28 VanDerWaalsContact CD-OE2 3.3Å; K25-E28 WeakPolarHBondContact CD-OE2 3.47Å; K25-E28 IonicContact NZ-OE1 3.41Å; K25-E28 PolarHBondContact NZ-OE1 3.13Å; K25-E28 IonicContact NZ-OE2 3.58Å; K25-E28 PolarHBondContact NZ-OE2 3.22Å; K25-E28 PolarHBondContact O-N 3.18Å; K25-V29 WeakPolarHBondContact O-CG2 3.46Å; K25-V29 PolarHBondContact O-N 3.15Å; K25-V67 HydrophobicContact CB-CG1 4.04Å; K25-V67 HydrophobicContact CG-CG1 3.58Å
26	I	88.3	Confident	89.7	Confident	33 Å²	33	77.9 Å²	77.9	17%	0.169	37%	0.372	C	S	.	.	H	α-helix	trans	-59.9	-47.1	172.8	-78.4	166.9	0	0	0	110.9	R22 S23 T24 E28 V29 E30 V67 R68	R22-I26 HydrophobicContact CG-CD1 4.15Å; R22-I26 WeakPolarHBondContact O-CB 3.49Å; R22-I26 VanDerWaalsContact O-CG1 3.29Å; R22-I26 WeakPolarHBondContact O-CG1 3.49Å; R22-I26 PolarHBondContact O-N 3.38Å; S23-I26 WeakPolarHBondContact O-CB 3.44Å; S23-I26 PolarHBondContact O-N 3.08Å; T24-I26 VanDerWaalsContact C-N 3.31Å; T24-I26 PolarHBondContact O-N 3.24Å; I26-E28 PolarHBondContact O-N 2.9Å; I26-V29 PolarHBondContact O-N 3.28Å; I26-E30 WeakPolarHBondContact O-CG 3.25Å; I26-E30 PolarHBondContact O-N 3.46Å; I26-V67 HydrophobicContact CG1-CB 4.03Å; I26-V67 HydrophobicContact CG1-CG2 3.75Å; I26-R68 HydrophobicContact CD1-CG 4.27Å; I26-R68 HydrophobicContact CG1-CG 4.35Å; I26-R68 VanDerWaalsContact CG2-NH2 3.34Å
27	R	90.6	Very high	89.9	Confident	166 Å²	166	77.3 Å²	77.3	63%	0.626	37%	0.373	S	S	*	.	H	α-helix	trans	-63.7	-40.7	178.5	-170.7	-176.8	-58.8	158.2	4.5	112.1	S23 T24 V29 E30 L31	S23-R27 PolarHBondContact O-N 3.3Å; T24-R27 PolarHBondContact O-N 2.56Å; T24-R27 VanDerWaalsContact O-N 3.17Å; R27-V29 VanDerWaalsContact C-N 3.35Å; R27-E30 PolarHBondContact O-N 3.46Å; R27-L31 WeakPolarHBondContact O-CB 3.42Å; R27-L31 PolarHBondContact O-N 3.08Å
28	E	91.5	Very high	90.2	Very high	67 Å²	67	73.8 Å²	73.8	31%	0.313	37%	0.365	S	S	.	.	H	α-helix	trans	-60.3	-45.2	175.7	-170.7	-159.8	140.8	0	0	111.4	T24 K25 I26 L31 K32	T24-E28 PolarHBondContact O-N 3.07Å; K25-E28 VanDerWaalsContact CD-OE2 3.3Å; K25-E28 WeakPolarHBondContact CD-OE2 3.47Å; K25-E28 IonicContact NZ-OE1 3.41Å; K25-E28 PolarHBondContact NZ-OE1 3.13Å; K25-E28 IonicContact NZ-OE2 3.58Å; K25-E28 PolarHBondContact NZ-OE2 3.22Å; K25-E28 PolarHBondContact O-N 3.18Å; I26-E28 PolarHBondContact O-N 2.9Å; E28-L31 PolarHBondContact O-N 2.84Å; E28-K32 HydrophobicContact CG-CD 4.35Å; E28-K32 WeakPolarHBondContact O-CB 3.44Å; E28-K32 WeakPolarHBondContact O-CG 3.46Å; E28-K32 PolarHBondContact O-N 2.99Å; E28-K32 WeakPolarHBondContact OE1-CE 3.39Å; E28-K32 IonicContact OE1-NZ 2.68Å; E28-K32 PolarHBondContact OE1-NZ 3.38Å
29	V	91.5	Very high	90.5	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.8	-44.2	176.5	164.1	0	0	0	0	111.5	K25 I26 R27 K32 R33 I60 Q63 D64	K25-V29 WeakPolarHBondContact O-CG2 3.46Å; K25-V29 PolarHBondContact O-N 3.15Å; I26-V29 PolarHBondContact O-N 3.28Å; R27-V29 VanDerWaalsContact C-N 3.35Å; V29-K32 PolarHBondContact O-N 2.91Å; V29-R33 WeakPolarHBondContact O-CB 3.46Å; V29-R33 PolarHBondContact O-N 3.35Å; V29-I60 HydrophobicContact CG1-CG2 3.96Å; V29-Q63 HydrophobicContact CG2-CB 4.21Å; V29-D64 HydrophobicContact CG1-CB 3.61Å
30	E	90.4	Very high	90.9	Very high	95 Å²	95	71 Å²	71	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-43.7	176.4	-74.8	173	170.7	0	0	111.7	I26 R27 R33 K34 R68	I26-E30 WeakPolarHBondContact O-CG 3.25Å; I26-E30 PolarHBondContact O-N 3.46Å; R27-E30 PolarHBondContact O-N 3.46Å; E30-R33 PolarHBondContact O-N 3.06Å; E30-K34 WeakPolarHBondContact O-CB 3.33Å; E30-K34 PolarHBondContact O-N 3.49Å; E30-R68 IonicContact OE1-CZ 2.69Å; E30-R68 IonicContact OE1-NH1 2.64Å; E30-R68 IonicContact OE1-NH2 3.7Å; E30-R68 PolarHBondContact OE1-NH2 3.02Å
31	L	94.8	Very high	91.1	Very high	104 Å²	104	75.4 Å²	75.4	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-64	-47.6	177.7	-178.6	62	0	0	0	111.7	R27 E28 R33 K34 I35	R27-L31 WeakPolarHBondContact O-CB 3.42Å; R27-L31 PolarHBondContact O-N 3.08Å; E28-L31 PolarHBondContact O-N 2.84Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.13Å; L31-K34 PolarHBondContact O-N 3.46Å; L31-I35 HydrophobicContact CD1-CD1 4.14Å; L31-I35 HydrophobicContact CD1-CG1 4.44Å; L31-I35 HydrophobicContact CG-CD1 3.96Å; L31-I35 WeakPolarHBondContact O-CG1 3.32Å; L31-I35 PolarHBondContact O-N 2.66Å
32	K	94.9	Very high	91.4	Very high	79 Å²	79	78.5 Å²	78.5	34%	0.343	38%	0.376	S	S	.	.	H	α-helix	trans	-59.8	-42.8	177	-75	176.8	167.6	175.2	0	111.8	E28 V29 I35 I36 I60	E28-K32 HydrophobicContact CG-CD 4.35Å; E28-K32 WeakPolarHBondContact O-CB 3.44Å; E28-K32 WeakPolarHBondContact O-CG 3.46Å; E28-K32 PolarHBondContact O-N 2.99Å; E28-K32 WeakPolarHBondContact OE1-CE 3.39Å; E28-K32 IonicContact OE1-NZ 2.68Å; E28-K32 PolarHBondContact OE1-NZ 3.38Å; V29-K32 PolarHBondContact O-N 2.91Å; K32-I35 PolarHBondContact O-N 2.95Å; K32-I36 WeakPolarHBondContact O-CG1 3.37Å; K32-I36 PolarHBondContact O-N 3.3Å; K32-I60 HydrophobicContact CB-CD1 3.66Å; K32-I60 HydrophobicContact CB-CG1 4.24Å; K32-I60 HydrophobicContact CD-CD1 4.36Å; K32-I60 HydrophobicContact CD-CG1 4.34Å
33	R	92.3	Very high	91.6	Very high	62 Å²	62	75.7 Å²	75.7	23%	0.234	37%	0.369	C	S	.	.	H	α-helix	trans	-61.6	-45.5	176.3	-174.4	-173.8	-66.4	-93.5	4.9	111.3	V29 E30 L31 I36 N37 N61 D64	V29-R33 WeakPolarHBondContact O-CB 3.46Å; V29-R33 PolarHBondContact O-N 3.35Å; E30-R33 PolarHBondContact O-N 3.06Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.13Å; R33-I36 PolarHBondContact O-N 3.02Å; R33-N37 WeakPolarHBondContact O-CB 3.33Å; R33-N37 PolarHBondContact O-N 2.96Å; R33-N37 PolarHBondContact O-OD1 2.98Å; R33-N61 PolarHBondContact NH2-OD1 3.1Å; R33-N61 VanDerWaalsContact NH2-OD1 3.12Å; R33-D64 IonicContact CZ-OD2 3.73Å; R33-D64 IonicContact NE-OD2 3.99Å; R33-D64 IonicContact NH2-OD2 2.77Å; R33-D64 PolarHBondContact NH2-OD2 2.92Å
34	K	93.3	Very high	91.9	Very high	131 Å²	131	78.2 Å²	78.2	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-57.9	-52.4	176.7	-174.3	-177	176.4	-174.4	0	111	E30 L31 I36 N37 D38	E30-K34 WeakPolarHBondContact O-CB 3.33Å; E30-K34 PolarHBondContact O-N 3.49Å; L31-K34 PolarHBondContact O-N 3.46Å; K34-I36 VanDerWaalsContact C-N 3.32Å; K34-I36 PolarHBondContact O-N 2.68Å; K34-N37 PolarHBondContact O-N 3.17Å; K34-D38 PolarHBondContact O-N 2.91Å
35	I	94.1	Very high	91.7	Very high	88 Å²	88	82.8 Å²	82.8	45%	0.451	40%	0.397	S	S	.	.	H	α-helix	trans	-57.3	-45.5	179.9	-67.2	165.6	0	0	0	111.2	L31 K32 D38 V39	L31-I35 HydrophobicContact CD1-CD1 4.14Å; L31-I35 HydrophobicContact CD1-CG1 4.44Å; L31-I35 HydrophobicContact CG-CD1 3.96Å; L31-I35 WeakPolarHBondContact O-CG1 3.32Å; L31-I35 PolarHBondContact O-N 2.66Å; K32-I35 PolarHBondContact O-N 2.95Å; I35-D38 PolarHBondContact O-N 3.32Å; I35-V39 HydrophobicContact CG2-CG2 4.45Å; I35-V39 VanDerWaalsContact O-CG2 3.25Å; I35-V39 WeakPolarHBondContact O-CG2 3.47Å; I35-V39 PolarHBondContact O-N 3.49Å
36	I	93.5	Very high	91.6	Very high	13 Å²	13	85.3 Å²	85.3	7%	0.067	42%	0.423	C	S	.	.	H	α-helix	trans	-65.7	-41.7	-179.5	-72.6	172.1	0	0	0	111.6	K32 R33 K34 V39 L40 L53 I56 E57 I60	K32-I36 WeakPolarHBondContact O-CG1 3.37Å; K32-I36 PolarHBondContact O-N 3.3Å; R33-I36 PolarHBondContact O-N 3.02Å; K34-I36 VanDerWaalsContact C-N 3.32Å; K34-I36 PolarHBondContact O-N 2.68Å; I36-V39 PolarHBondContact O-N 3.21Å; I36-L40 HydrophobicContact CG2-CD1 3.66Å; I36-L40 HydrophobicContact CG2-CG 4.11Å; I36-L40 VanDerWaalsContact O-CB 3.3Å; I36-L40 WeakPolarHBondContact O-CB 3.43Å; I36-L40 VanDerWaalsContact O-CG 3.31Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 3.48Å; I36-L53 HydrophobicContact CG1-CD2 4.5Å; I36-I56 HydrophobicContact CD1-CB 4.12Å; I36-I56 HydrophobicContact CD1-CG2 3.48Å; I36-I56 VanDerWaalsContact CD1-CG2 3.48Å; I36-E57 HydrophobicContact CG2-CB 4.1Å; I36-E57 HydrophobicContact CG2-CG 4.42Å; I36-I60 HydrophobicContact CD1-CD1 3.11Å; I36-I60 HydrophobicContact CG1-CD1 4.43Å
37	N	92.2	Very high	91.7	Very high	63 Å²	63	85.9 Å²	85.9	34%	0.337	43%	0.43	S	S	.	.	H	α-helix	trans	-61.2	-48.4	176	-71.6	-2.9	0	0	0	110.8	R33 K34 V39 L40 E41	R33-N37 WeakPolarHBondContact O-CB 3.33Å; R33-N37 PolarHBondContact O-N 2.96Å; R33-N37 PolarHBondContact O-OD1 2.98Å; K34-N37 PolarHBondContact O-N 3.17Å; N37-V39 VanDerWaalsContact C-N 3.26Å; N37-V39 PolarHBondContact O-N 3.23Å; N37-L40 PolarHBondContact O-N 3.09Å; N37-E41 WeakPolarHBondContact O-CG 3.3Å; N37-E41 PolarHBondContact O-N 3.21Å
38	D	93.4	Very high	91.7	Very high	73 Å²	73	82.1 Å²	82.1	39%	0.39	43%	0.434	S	S	.	.	H	α-helix	trans	-57.3	-40.4	178.2	-62.8	-10.2	0	0	0	110.9	K34 I35 I42	K34-D38 PolarHBondContact O-N 2.91Å; I35-D38 PolarHBondContact O-N 3.32Å; D38-I42 WeakPolarHBondContact O-CD1 3.46Å; D38-I42 WeakPolarHBondContact O-CG1 3.42Å
39	V	92.8	Very high	91.6	Very high	55 Å²	55	81.1 Å²	81.1	33%	0.333	44%	0.438	S	S	.	.	H	α-helix	trans	-74.6	-39.1	177.7	178.7	0	0	0	0	112.2	I35 I36 N37 E41 I42 V43 L53	I35-V39 HydrophobicContact CG2-CG2 4.45Å; I35-V39 VanDerWaalsContact O-CG2 3.25Å; I35-V39 WeakPolarHBondContact O-CG2 3.47Å; I35-V39 PolarHBondContact O-N 3.49Å; I36-V39 PolarHBondContact O-N 3.21Å; N37-V39 VanDerWaalsContact C-N 3.26Å; N37-V39 PolarHBondContact O-N 3.23Å; V39-E41 PolarHBondContact O-N 3.11Å; V39-I42 PolarHBondContact O-N 3.23Å; V39-V43 HydrophobicContact CG1-CG2 3.82Å; V39-V43 WeakPolarHBondContact O-CG2 3.48Å; V39-V43 PolarHBondContact O-N 2.81Å; V39-L53 HydrophobicContact CB-CD1 4.27Å; V39-L53 HydrophobicContact CG1-CD1 3.49Å; V39-L53 VanDerWaalsContact CG1-CD1 3.49Å; V39-L53 HydrophobicContact CG1-CD2 4.4Å
40	L	90.7	Very high	91.6	Very high	41 Å²	41	81.2 Å²	81.2	22%	0.215	44%	0.439	C	S	.	.	H	α-helix	trans	-64.6	-27.4	178.4	-81.7	174.2	0	0	0	112.7	I36 N37 I42 A50 L53 R54	I36-L40 HydrophobicContact CG2-CD1 3.66Å; I36-L40 HydrophobicContact CG2-CG 4.11Å; I36-L40 VanDerWaalsContact O-CB 3.3Å; I36-L40 WeakPolarHBondContact O-CB 3.43Å; I36-L40 VanDerWaalsContact O-CG 3.31Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 3.48Å; N37-L40 PolarHBondContact O-N 3.09Å; L40-I42 VanDerWaalsContact C-N 3.29Å; L40-A50 HydrophobicContact CD2-CB 4.43Å; L40-L53 HydrophobicContact CD2-CB 3.63Å; L40-L53 HydrophobicContact CD2-CD1 3.99Å; L40-L53 HydrophobicContact CD2-CG 4.48Å; L40-L53 HydrophobicContact CG-CB 4.04Å; L40-L53 HydrophobicContact CG-CD1 4.29Å; L40-R54 HydrophobicContact CD2-CG 4.46Å
41	E	90.6	Very high	91.6	Very high	165 Å²	165	79 Å²	79	77%	0.771	44%	0.437	S	S	*	.	H	α-helix	trans	-68.2	-29.9	172.7	-73.9	-177.1	-179.6	0	0	112.5	N37 V39	N37-E41 WeakPolarHBondContact O-CG 3.3Å; N37-E41 PolarHBondContact O-N 3.21Å; V39-E41 PolarHBondContact O-N 3.11Å
42	I	92.6	Very high	91.5	Very high	140 Å²	140	77.6 Å²	77.6	72%	0.718	43%	0.434	S	S	*	.	H	α-helix	trans	-90.1	-35.9	-176.5	-58.5	164.8	0	0	0	111.4	D38 V39 L40	D38-I42 WeakPolarHBondContact O-CD1 3.46Å; D38-I42 WeakPolarHBondContact O-CG1 3.42Å; V39-I42 PolarHBondContact O-N 3.23Å; L40-I42 VanDerWaalsContact C-N 3.29Å
43	V	91.1	Very high	91.4	Very high	32 Å²	32	75.1 Å²	75.1	19%	0.194	43%	0.425	C	S	.	.	S	Bend	trans	-80.7	133.2	-173.4	176.8	0	0	0	0	111.3	V39 K45 A49 A50 L53	V39-V43 HydrophobicContact CG1-CG2 3.82Å; V39-V43 WeakPolarHBondContact O-CG2 3.48Å; V39-V43 PolarHBondContact O-N 2.81Å; V43-K45 PolarHBondContact O-N 3.28Å; V43-A49 HydrophobicContact CG1-CB 4.02Å; V43-A50 HydrophobicContact CG1-CB 4Å; V43-L53 HydrophobicContact CG2-CD1 4.31Å
44	P	90.8	Very high	91.3	Very high	85 Å²	85	77.8 Å²	77.8	55%	0.552	44%	0.435	S	S	*	.			trans	-56.5	133.3	175.1	-24.9	33.2	0	0	0	112.3	S46 S47 A50	P44-S46 PolarHBondContact O-N 3.43Å; P44-S46 VanDerWaalsContact O-N 3.1Å; P44-S47 WeakPolarHBondContact O-CB 3.29Å; P44-S47 PolarHBondContact O-N 3.17Å; P44-A50 WeakPolarHBondContact O-CB 3.5Å
45	K	86.5	Confident	91.3	Very high	182 Å²	182	77.2 Å²	77.2	79%	0.791	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.3	-176.6	-66.2	178.8	-179.3	175	0	114.1	V43 S47	V43-K45 PolarHBondContact O-N 3.28Å; K45-S47 VanDerWaalsContact C-N 3.34Å
46	S	87.5	Confident	91.2	Very high	118 Å²	118	76.8 Å²	76.8	83%	0.825	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.4	178.1	53.3	0	0	0	0	114	P44	P44-S46 PolarHBondContact O-N 3.43Å; P44-S46 VanDerWaalsContact O-N 3.1Å
47	S	90.2	Very high	91.1	Very high	44 Å²	44	79.1 Å²	79.1	31%	0.308	44%	0.443	S	S	.	.	S	Bend	trans	-72.1	144.1	-179.5	179.4	0	0	0	0	111.7	P44 K45 A49 A50 A51	P44-S47 WeakPolarHBondContact O-CB 3.29Å; P44-S47 PolarHBondContact O-N 3.17Å; K45-S47 VanDerWaalsContact C-N 3.34Å; S47-A49 PolarHBondContact O-N 3Å; S47-A49 PolarHBondContact OG-N 3.48Å; S47-A50 WeakPolarHBondContact O-CB 3.44Å; S47-A50 PolarHBondContact O-N 3.41Å; S47-A51 PolarHBondContact O-N 3.1Å
48	A	90.1	Very high	91.1	Very high	87 Å²	87	81.3 Å²	81.3	72%	0.719	45%	0.449	S	S	*	.	H	α-helix	trans	-56.9	-31.7	170.4	0	0	0	0	0	112.1	A50 A51 C52	A48-A50 VanDerWaalsContact C-N 3.34Å; A48-A50 PolarHBondContact O-N 3.29Å; A48-A51 PolarHBondContact O-N 3.18Å; A48-C52 PolarHBondContact O-N 3.33Å
49	A	90.6	Very high	91.1	Very high	47 Å²	47	81.6 Å²	81.6	39%	0.388	45%	0.448	S	S	.	.	H	α-helix	trans	-63.1	-38.8	175.1	0	0	0	0	0	112	V43 S47 A51 C52 L53	V43-A49 HydrophobicContact CG1-CB 4.02Å; S47-A49 PolarHBondContact O-N 3Å; S47-A49 PolarHBondContact OG-N 3.48Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3Å; A49-C52 PolarHBondContact O-N 2.81Å; A49-L53 VanDerWaalsContact O-CG 3.3Å; A49-L53 WeakPolarHBondContact O-CG 3.3Å; A49-L53 PolarHBondContact O-N 3.06Å
50	A	90.4	Very high	91	Very high	2 Å²	2	79.3 Å²	79.3	2%	0.017	43%	0.434	C	S	.	.	H	α-helix	trans	-66.5	-36.3	176.9	0	0	0	0	0	111.9	L40 V43 P44 S47 A48 L53 R54	L40-A50 HydrophobicContact CD2-CB 4.43Å; V43-A50 HydrophobicContact CG1-CB 4Å; P44-A50 WeakPolarHBondContact O-CB 3.5Å; S47-A50 WeakPolarHBondContact O-CB 3.44Å; S47-A50 PolarHBondContact O-N 3.41Å; A48-A50 VanDerWaalsContact C-N 3.34Å; A48-A50 PolarHBondContact O-N 3.29Å; A50-L53 PolarHBondContact O-N 3.35Å; A50-R54 WeakPolarHBondContact O-CG 3.28Å; A50-R54 PolarHBondContact O-N 2.87Å; A50-R54 VanDerWaalsContact O-N 3.07Å
51	A	90.6	Very high	90.9	Very high	49 Å²	49	80.1 Å²	80.1	41%	0.405	44%	0.439	S	S	.	.	H	α-helix	trans	-64.5	-44.8	173.7	0	0	0	0	0	111.6	S47 A48 A49 L53 R54 E55	S47-A51 PolarHBondContact O-N 3.1Å; A48-A51 PolarHBondContact O-N 3.18Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3Å; A51-L53 PolarHBondContact O-N 3.45Å; A51-R54 PolarHBondContact O-N 2.87Å; A51-E55 PolarHBondContact O-N 3.37Å
52	C	92.9	Very high	90.8	Very high	73 Å²	73	76.3 Å²	76.3	49%	0.493	42%	0.42	S	S	.	.	H	α-helix	trans	-59.7	-45.4	175.2	-174.7	0	0	0	0	112	A48 A49 R54 E55 I56	A48-C52 PolarHBondContact O-N 3.33Å; A49-C52 PolarHBondContact O-N 2.81Å; C52-R54 VanDerWaalsContact C-N 3.34Å; C52-R54 PolarHBondContact O-N 3.19Å; C52-E55 WeakPolarHBondContact O-CB 3.4Å; C52-E55 PolarHBondContact O-N 3.22Å; C52-I56 WeakPolarHBondContact O-CG1 3.34Å; C52-I56 PolarHBondContact O-N 2.98Å; C52-I56 VanDerWaalsContact O-N 3.08Å
53	L	92.7	Very high	90.6	Very high	28 Å²	28	72.4 Å²	72.4	15%	0.147	40%	0.398	C	S	.	.	H	α-helix	trans	-63.3	-37.1	178.3	-72.6	168.1	0	0	0	113	I36 V39 L40 V43 A49 A50 A51 E55 I56 E57	I36-L53 HydrophobicContact CG1-CD2 4.5Å; V39-L53 HydrophobicContact CB-CD1 4.27Å; V39-L53 HydrophobicContact CG1-CD1 3.49Å; V39-L53 VanDerWaalsContact CG1-CD1 3.49Å; V39-L53 HydrophobicContact CG1-CD2 4.4Å; L40-L53 HydrophobicContact CD2-CB 3.63Å; L40-L53 HydrophobicContact CD2-CD1 3.99Å; L40-L53 HydrophobicContact CD2-CG 4.48Å; L40-L53 HydrophobicContact CG-CB 4.04Å; L40-L53 HydrophobicContact CG-CD1 4.29Å; V43-L53 HydrophobicContact CG2-CD1 4.31Å; A49-L53 VanDerWaalsContact O-CG 3.3Å; A49-L53 WeakPolarHBondContact O-CG 3.3Å; A49-L53 PolarHBondContact O-N 3.06Å; A50-L53 PolarHBondContact O-N 3.35Å; A51-L53 PolarHBondContact O-N 3.45Å; L53-E55 VanDerWaalsContact C-N 3.35Å; L53-I56 PolarHBondContact O-N 3.38Å; L53-E57 WeakPolarHBondContact O-CB 3.44Å; L53-E57 PolarHBondContact O-N 3.05Å
54	R	90.8	Very high	90.3	Very high	118 Å²	118	71 Å²	71	45%	0.445	39%	0.39	S	S	.	.	H	α-helix	trans	-64.9	-37.3	174.6	-75.9	-169.5	-66.2	-96.2	4.6	112.6	L40 A50 A51 C52 E57 F58	L40-R54 HydrophobicContact CD2-CG 4.46Å; A50-R54 WeakPolarHBondContact O-CG 3.28Å; A50-R54 PolarHBondContact O-N 2.87Å; A50-R54 VanDerWaalsContact O-N 3.07Å; A51-R54 PolarHBondContact O-N 2.87Å; C52-R54 VanDerWaalsContact C-N 3.34Å; C52-R54 PolarHBondContact O-N 3.19Å; R54-E57 WeakPolarHBondContact O-CB 3.47Å; R54-E57 PolarHBondContact O-N 3.48Å; R54-F58 PolarHBondContact O-N 3.42Å
55	E	92.4	Very high	89.9	Confident	119 Å²	119	68.5 Å²	68.5	56%	0.556	37%	0.372	S	S	*	.	H	α-helix	trans	-64.7	-42.9	174.2	-171.8	59.3	-143.9	0	0	111	A51 C52 L53 E57 F58 E59	A51-E55 PolarHBondContact O-N 3.37Å; C52-E55 WeakPolarHBondContact O-CB 3.4Å; C52-E55 PolarHBondContact O-N 3.22Å; L53-E55 VanDerWaalsContact C-N 3.35Å; E55-E57 VanDerWaalsContact C-N 3.35Å; E55-E57 PolarHBondContact O-N 3.36Å; E55-F58 WeakPolarHBondContact O-CB 3.29Å; E55-F58 PolarHBondContact O-N 3.02Å; E55-E59 PolarHBondContact O-N 3.49Å; E55-E59 VanDerWaalsContact O-N 3.07Å
56	I	92.8	Very high	89.7	Confident	78 Å²	78	64.3 Å²	64.3	40%	0.4	36%	0.361	S	S	.	.	H	α-helix	trans	-64	-41.6	175.8	-60.3	168	0	0	0	110.8	I36 C52 L53 F58 E59 I60	I36-I56 HydrophobicContact CD1-CB 4.12Å; I36-I56 HydrophobicContact CD1-CG2 3.48Å; I36-I56 VanDerWaalsContact CD1-CG2 3.48Å; C52-I56 WeakPolarHBondContact O-CG1 3.34Å; C52-I56 PolarHBondContact O-N 2.98Å; C52-I56 VanDerWaalsContact O-N 3.08Å; L53-I56 PolarHBondContact O-N 3.38Å; I56-F58 VanDerWaalsContact C-N 3.32Å; I56-F58 PolarHBondContact O-N 3.3Å; I56-E59 PolarHBondContact O-N 3.25Å; I56-I60 HydrophobicContact CG2-CD1 3.87Å; I56-I60 WeakPolarHBondContact O-CD1 3.28Å; I56-I60 WeakPolarHBondContact O-CG1 2.96Å; I56-I60 PolarHBondContact O-N 3.26Å
57	E	92.5	Very high	89.4	Confident	63 Å²	63	59.7 Å²	59.7	29%	0.294	33%	0.328	S	S	.	.	H	α-helix	trans	-57.6	-45.4	175.2	-168.9	-169.1	178.9	0	0	111.3	I36 L53 R54 E55 E59 I60 N61	I36-E57 HydrophobicContact CG2-CB 4.1Å; I36-E57 HydrophobicContact CG2-CG 4.42Å; L53-E57 WeakPolarHBondContact O-CB 3.44Å; L53-E57 PolarHBondContact O-N 3.05Å; R54-E57 WeakPolarHBondContact O-CB 3.47Å; R54-E57 PolarHBondContact O-N 3.48Å; E55-E57 VanDerWaalsContact C-N 3.35Å; E55-E57 PolarHBondContact O-N 3.36Å; E57-E59 VanDerWaalsContact C-N 3.34Å; E57-E59 PolarHBondContact O-N 3.01Å; E57-I60 PolarHBondContact O-N 2.93Å; E57-N61 WeakPolarHBondContact O-CB 3.49Å; E57-N61 PolarHBondContact O-N 2.82Å
58	F	91.1	Very high	88.9	Confident	108 Å²	108	59.6 Å²	59.6	47%	0.474	32%	0.321	S	S	.	.	H	α-helix	trans	-60.2	-43.9	177.7	-180	-114.1	0	0	0	111.7	R54 E55 I56 N61 K62	R54-F58 PolarHBondContact O-N 3.42Å; E55-F58 WeakPolarHBondContact O-CB 3.29Å; E55-F58 PolarHBondContact O-N 3.02Å; I56-F58 VanDerWaalsContact C-N 3.32Å; I56-F58 PolarHBondContact O-N 3.3Å; F58-N61 WeakPolarHBondContact O-CB 3.19Å; F58-N61 PolarHBondContact O-N 2.92Å; F58-K62 HydrophobicContact CE1-CD 4.43Å; F58-K62 PolarHBondContact O-N 2.95Å; F58-K62 VanDerWaalsContact O-N 3.08Å
59	E	92.6	Very high	87.9	Confident	79 Å²	79	58.3 Å²	58.3	37%	0.369	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-39.9	177.7	-167.8	52.4	-136.5	0	0	112.3	E55 I56 E57 N61 K62 Q63	E55-E59 PolarHBondContact O-N 3.49Å; E55-E59 VanDerWaalsContact O-N 3.07Å; I56-E59 PolarHBondContact O-N 3.25Å; E57-E59 VanDerWaalsContact C-N 3.34Å; E57-E59 PolarHBondContact O-N 3.01Å; E59-N61 VanDerWaalsContact C-N 3.26Å; E59-N61 PolarHBondContact O-N 3.34Å; E59-K62 WeakPolarHBondContact O-CB 3.38Å; E59-K62 PolarHBondContact O-N 3.39Å; E59-K62 WeakPolarHBondContact OE2-CD 3.33Å; E59-K62 IonicContact OE2-NZ 2.79Å; E59-K62 PolarHBondContact OE2-NZ 3.41Å; E59-Q63 PolarHBondContact O-N 2.94Å; E59-Q63 VanDerWaalsContact O-N 3.11Å
60	I	91.8	Very high	87.1	Confident	8 Å²	8	61.2 Å²	61.2	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-62.1	-38.2	172.9	-73.6	158	0	0	0	111	V29 K32 I36 I56 E57 K62 Q63 D64	V29-I60 HydrophobicContact CG1-CG2 3.96Å; K32-I60 HydrophobicContact CB-CD1 3.66Å; K32-I60 HydrophobicContact CB-CG1 4.24Å; K32-I60 HydrophobicContact CD-CD1 4.36Å; K32-I60 HydrophobicContact CD-CG1 4.34Å; I36-I60 HydrophobicContact CD1-CD1 3.11Å; I36-I60 HydrophobicContact CG1-CD1 4.43Å; I56-I60 HydrophobicContact CG2-CD1 3.87Å; I56-I60 WeakPolarHBondContact O-CD1 3.28Å; I56-I60 WeakPolarHBondContact O-CG1 2.96Å; I56-I60 PolarHBondContact O-N 3.26Å; E57-I60 PolarHBondContact O-N 2.93Å; I60-K62 VanDerWaalsContact C-N 3.35Å; I60-K62 PolarHBondContact O-N 3.17Å; I60-Q63 WeakPolarHBondContact O-CB 3.37Å; I60-Q63 PolarHBondContact O-N 3.4Å; I60-D64 PolarHBondContact O-N 3.06Å
61	N	88.4	Confident	86	Confident	58 Å²	58	63.6 Å²	63.6	31%	0.31	32%	0.316	S	S	.	.	H	α-helix	trans	-65.1	-37.6	177.8	-166.3	59.6	0	0	0	112.1	R33 E57 F58 E59 D64 I65	R33-N61 PolarHBondContact NH2-OD1 3.1Å; R33-N61 VanDerWaalsContact NH2-OD1 3.12Å; E57-N61 WeakPolarHBondContact O-CB 3.49Å; E57-N61 PolarHBondContact O-N 2.82Å; F58-N61 WeakPolarHBondContact O-CB 3.19Å; F58-N61 PolarHBondContact O-N 2.92Å; E59-N61 VanDerWaalsContact C-N 3.26Å; E59-N61 PolarHBondContact O-N 3.34Å; N61-D64 WeakPolarHBondContact O-CB 3.3Å; N61-D64 PolarHBondContact O-N 3.09Å; N61-I65 VanDerWaalsContact O-CG1 3.28Å; N61-I65 WeakPolarHBondContact O-CG1 3.35Å; N61-I65 PolarHBondContact O-N 3.08Å
62	K	88.5	Confident	84.8	Confident	85 Å²	85	66 Å²	66	37%	0.37	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-42.8	171.1	-67.8	178.5	-164.5	154.7	0	112.2	F58 E59 I60 D64 I65 T66	F58-K62 HydrophobicContact CE1-CD 4.43Å; F58-K62 PolarHBondContact O-N 2.95Å; F58-K62 VanDerWaalsContact O-N 3.08Å; E59-K62 WeakPolarHBondContact O-CB 3.38Å; E59-K62 PolarHBondContact O-N 3.39Å; E59-K62 WeakPolarHBondContact OE2-CD 3.33Å; E59-K62 IonicContact OE2-NZ 2.79Å; E59-K62 PolarHBondContact OE2-NZ 3.41Å; I60-K62 VanDerWaalsContact C-N 3.35Å; I60-K62 PolarHBondContact O-N 3.17Å; K62-D64 VanDerWaalsContact C-N 3.34Å; K62-D64 PolarHBondContact O-N 3.26Å; K62-I65 PolarHBondContact O-N 3.44Å; K62-T66 PolarHBondContact O-N 3.02Å; K62-T66 PolarHBondContact O-OG1 3.27Å; K62-T66 VanDerWaalsContact O-OG1 3.1Å
63	Q	87.7	Confident	83.4	Confident	57 Å²	57	70.5 Å²	70.5	27%	0.266	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-43.6	176.2	-67.4	179.7	34	0	0	111.2	V29 E59 I60 I65 T66 V67	V29-Q63 HydrophobicContact CG2-CB 4.21Å; E59-Q63 PolarHBondContact O-N 2.94Å; E59-Q63 VanDerWaalsContact O-N 3.11Å; I60-Q63 WeakPolarHBondContact O-CB 3.37Å; I60-Q63 PolarHBondContact O-N 3.4Å; Q63-I65 PolarHBondContact O-N 3.48Å; Q63-T66 WeakPolarHBondContact O-CB 3.49Å; Q63-T66 PolarHBondContact O-N 3.38Å; Q63-T66 VanDerWaalsContact O-N 3.08Å; Q63-V67 PolarHBondContact O-N 2.95Å
64	D	85.7	Confident	82	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.011	35%	0.346	C	S	.	.	H	α-helix	trans	-59.6	-43.9	178.2	-163.4	-0.4	0	0	0	112.6	V29 R33 I60 N61 K62 T66 V67 R68 K71	V29-D64 HydrophobicContact CG1-CB 3.61Å; R33-D64 IonicContact CZ-OD2 3.73Å; R33-D64 IonicContact NE-OD2 3.99Å; R33-D64 IonicContact NH2-OD2 2.77Å; R33-D64 PolarHBondContact NH2-OD2 2.92Å; I60-D64 PolarHBondContact O-N 3.06Å; N61-D64 WeakPolarHBondContact O-CB 3.3Å; N61-D64 PolarHBondContact O-N 3.09Å; K62-D64 VanDerWaalsContact C-N 3.34Å; K62-D64 PolarHBondContact O-N 3.26Å; D64-T66 PolarHBondContact O-N 2.74Å; D64-V67 WeakPolarHBondContact O-CG2 3.33Å; D64-V67 PolarHBondContact O-N 2.88Å; D64-R68 WeakPolarHBondContact O-CB 3.29Å; D64-R68 PolarHBondContact O-N 3.03Å; D64-R68 WeakPolarHBondContact OD1-CD 3.4Å; D64-R68 IonicContact OD1-CZ 3.56Å; D64-R68 IonicContact OD1-NE 3.56Å; D64-R68 PolarHBondContact OD1-NE 3.43Å; D64-K71 IonicContact OD1-NZ 3.24Å; D64-K71 PolarHBondContact OD1-NZ 2.89Å; D64-K71 IonicContact OD2-NZ 2.56Å; D64-K71 PolarHBondContact OD2-NZ 3.49Å
65	I	81.8	Confident	80.5	Confident	34 Å²	34	74.6 Å²	74.6	17%	0.174	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-36.9	175.7	-69.4	167.4	0	0	0	110.9	N61 K62 Q63 R68 K71 K72 L75	N61-I65 VanDerWaalsContact O-CG1 3.28Å; N61-I65 WeakPolarHBondContact O-CG1 3.35Å; N61-I65 PolarHBondContact O-N 3.08Å; K62-I65 PolarHBondContact O-N 3.44Å; Q63-I65 PolarHBondContact O-N 3.48Å; I65-R68 CarbonylContact O-C 3.4Å; I65-K71 HydrophobicContact CG1-CB 4.4Å; I65-K72 HydrophobicContact CG2-CB 4.36Å; I65-K72 HydrophobicContact CG2-CD 4.13Å; I65-K72 HydrophobicContact CG2-CG 3.22Å; I65-L75 HydrophobicContact CD1-CD2 4.5Å
66	T	82.4	Confident	78.9	Confident	94 Å²	94	74.4 Å²	74.4	58%	0.577	35%	0.348	S	S	*	.	H	α-helix	trans	-68.9	-42.7	178	-59.3	0	0	0	0	111.9	K62 Q63 D64	K62-T66 PolarHBondContact O-N 3.02Å; K62-T66 PolarHBondContact O-OG1 3.27Å; K62-T66 VanDerWaalsContact O-OG1 3.1Å; Q63-T66 WeakPolarHBondContact O-CB 3.49Å; Q63-T66 PolarHBondContact O-N 3.38Å; Q63-T66 VanDerWaalsContact O-N 3.08Å; D64-T66 PolarHBondContact O-N 2.74Å
67	V	82.1	Confident	77.3	Confident	20 Å²	20	78.1 Å²	78.1	12%	0.121	36%	0.362	C	S	.	.	H	α-helix	trans	-80.1	-16.7	178.5	-61.9	0	0	0	0	113.8	R22 K25 I26 Q63 D64	R22-V67 VanDerWaalsContact CZ-O 3.23Å; R22-V67 PolarHBondContact NE-O 3.21Å; R22-V67 PolarHBondContact NH2-O 3.02Å; K25-V67 HydrophobicContact CB-CG1 4.04Å; K25-V67 HydrophobicContact CG-CG1 3.58Å; I26-V67 HydrophobicContact CG1-CB 4.03Å; I26-V67 HydrophobicContact CG1-CG2 3.75Å; Q63-V67 PolarHBondContact O-N 2.95Å; D64-V67 WeakPolarHBondContact O-CG2 3.33Å; D64-V67 PolarHBondContact O-N 2.88Å
68	R	79.2	Confident	75.5	Confident	43 Å²	43	79 Å²	79	16%	0.162	38%	0.375	C	S	.	.			trans	-122.3	84.7	175.3	-60.6	-172.5	-151.1	-135.9	9	110.9	I26 E30 D64 I65 W70 K71	I26-R68 HydrophobicContact CD1-CG 4.27Å; I26-R68 HydrophobicContact CG1-CG 4.35Å; I26-R68 VanDerWaalsContact CG2-NH2 3.34Å; E30-R68 IonicContact OE1-CZ 2.69Å; E30-R68 IonicContact OE1-NH1 2.64Å; E30-R68 IonicContact OE1-NH2 3.7Å; E30-R68 PolarHBondContact OE1-NH2 3.02Å; D64-R68 WeakPolarHBondContact O-CB 3.29Å; D64-R68 PolarHBondContact O-N 3.03Å; D64-R68 WeakPolarHBondContact OD1-CD 3.4Å; D64-R68 IonicContact OD1-CZ 3.56Å; D64-R68 IonicContact OD1-NE 3.56Å; D64-R68 PolarHBondContact OD1-NE 3.43Å; I65-R68 CarbonylContact O-C 3.4Å; R68-W70 PolarHBondContact O-N 3.12Å; R68-K71 HydrophobicContact CB-CB 4.44Å; R68-K71 HydrophobicContact CB-CD 4.11Å; R68-K71 HydrophobicContact CB-CG 4.02Å; R68-K71 WeakPolarHBondContact O-CA 3.47Å; R68-K71 VanDerWaalsContact O-CB 3.29Å; R68-K71 WeakPolarHBondContact O-CB 3.39Å; R68-K71 PolarHBondContact O-N 2.86Å
69	P	69.1	Low	73.9	Confident	60 Å²	60	77.9 Å²	77.9	39%	0.39	37%	0.373	S	S	.	.	H	α-helix	trans	-59.1	-21.9	-178.8	-25.4	35.5	0	0	0	114.7	K71 K72 R73	P69-K71 PolarHBondContact O-N 3.38Å; P69-K72 WeakPolarHBondContact O-CB 3.45Å; P69-K72 PolarHBondContact O-N 3.15Å; P69-R73 PolarHBondContact O-N 2.94Å
70	W	73.2	Confident	72	Confident	107 Å²	107	80.2 Å²	80.2	41%	0.405	39%	0.388	S	S	.	.	H	α-helix	trans	-67.4	-25.5	172.5	66.5	-96.4	0	0	0	112.8	R68 R73 K74	R68-W70 PolarHBondContact O-N 3.12Å; W70-R73 PolarHBondContact O-N 2.87Å; W70-K74 HydrophobicContact CE3-CD 4.06Å; W70-K74 HydrophobicContact CE3-CG 4.43Å; W70-K74 HydrophobicContact CZ3-CD 3.92Å; W70-K74 PolarHBondContact O-N 3.37Å
71	K	67.3	Low	70.1	Confident	52 Å²	52	84.8 Å²	84.8	23%	0.226	42%	0.42	C	S	.	.	H	α-helix	trans	-67.2	-40.7	169.2	-70	-172.4	170.8	-179.1	0	111.1	D64 I65 R68 P69 R73 K74 L75	D64-K71 IonicContact OD1-NZ 3.24Å; D64-K71 PolarHBondContact OD1-NZ 2.89Å; D64-K71 IonicContact OD2-NZ 2.56Å; D64-K71 PolarHBondContact OD2-NZ 3.49Å; I65-K71 HydrophobicContact CG1-CB 4.4Å; R68-K71 HydrophobicContact CB-CB 4.44Å; R68-K71 HydrophobicContact CB-CD 4.11Å; R68-K71 HydrophobicContact CB-CG 4.02Å; R68-K71 WeakPolarHBondContact O-CA 3.47Å; R68-K71 VanDerWaalsContact O-CB 3.29Å; R68-K71 WeakPolarHBondContact O-CB 3.39Å; R68-K71 PolarHBondContact O-N 2.86Å; P69-K71 PolarHBondContact O-N 3.38Å; K71-R73 VanDerWaalsContact C-N 3.33Å; K71-R73 PolarHBondContact O-N 3.3Å; K71-K74 PolarHBondContact O-N 2.87Å; K71-L75 WeakPolarHBondContact O-CB 3.07Å; K71-L75 PolarHBondContact O-N 3.18Å
72	K	65	Low	68	Low	100 Å²	100	86 Å²	86	44%	0.435	43%	0.43	S	S	.	.	H	α-helix	trans	-55.7	-48.7	169.5	-67.2	-175.3	177.6	-172.9	0	111.1	I65 P69 K74 L75 M76	I65-K72 HydrophobicContact CG2-CB 4.36Å; I65-K72 HydrophobicContact CG2-CD 4.13Å; I65-K72 HydrophobicContact CG2-CG 3.22Å; P69-K72 WeakPolarHBondContact O-CB 3.45Å; P69-K72 PolarHBondContact O-N 3.15Å; K72-K74 VanDerWaalsContact C-N 3.33Å; K72-K74 PolarHBondContact O-N 3.41Å; K72-L75 PolarHBondContact O-N 3.4Å; K72-M76 WeakPolarHBondContact O-CG 3.42Å; K72-M76 PolarHBondContact O-N 3.35Å
73	R	63.5	Low	65.6	Low	167 Å²	167	88.6 Å²	88.6	63%	0.63	45%	0.448	S	S	*	.	H	α-helix	trans	-59	-40.8	177.5	-72.1	-172.1	-73.6	148.8	-4.7	112.8	P69 W70 K71 K77	P69-R73 PolarHBondContact O-N 2.94Å; W70-R73 PolarHBondContact O-N 2.87Å; K71-R73 VanDerWaalsContact C-N 3.33Å; K71-R73 PolarHBondContact O-N 3.3Å; R73-K77 WeakPolarHBondContact O-CB 3.43Å; R73-K77 VanDerWaalsContact O-CG 3.25Å; R73-K77 WeakPolarHBondContact O-CG 3.43Å; R73-K77 PolarHBondContact O-N 2.94Å
74	K	64.8	Low	63.1	Low	141 Å²	141	95.5 Å²	95.5	61%	0.613	48%	0.477	S	S	*	.	H	α-helix	trans	-66.8	-41.4	175.6	-75.3	-166.7	177	-168.2	0	112.2	W70 K71 K72 K77 S78	W70-K74 HydrophobicContact CE3-CD 4.06Å; W70-K74 HydrophobicContact CE3-CG 4.43Å; W70-K74 HydrophobicContact CZ3-CD 3.92Å; W70-K74 PolarHBondContact O-N 3.37Å; K71-K74 PolarHBondContact O-N 2.87Å; K72-K74 VanDerWaalsContact C-N 3.33Å; K72-K74 PolarHBondContact O-N 3.41Å; K74-K77 PolarHBondContact O-N 3.4Å; K74-S78 PolarHBondContact O-N 3.35Å; K74-S78 VanDerWaalsContact O-N 3.13Å
75	L	59.4	Low	60.7	Low	91 Å²	91	101.5 Å²	101.5	48%	0.476	51%	0.514	S	S	.	.	H	α-helix	trans	-63.1	-47.2	177.7	-174.9	66.2	0	0	0	111.2	I65 K71 K72 K77 S78 I79	I65-L75 HydrophobicContact CD1-CD2 4.5Å; K71-L75 WeakPolarHBondContact O-CB 3.07Å; K71-L75 PolarHBondContact O-N 3.18Å; K72-L75 PolarHBondContact O-N 3.4Å; L75-K77 PolarHBondContact O-N 2.92Å; L75-S78 WeakPolarHBondContact O-CB 3.32Å; L75-S78 PolarHBondContact O-N 3.43Å; L75-S78 VanDerWaalsContact O-N 3.15Å; L75-I79 HydrophobicContact CD1-CD1 4.33Å; L75-I79 HydrophobicContact CG-CD1 3.93Å; L75-I79 WeakPolarHBondContact O-CG1 3.37Å; L75-I79 PolarHBondContact O-N 2.84Å; L75-I79 VanDerWaalsContact O-N 3.08Å
76	M	57.8	Low	58.6	Low	116 Å²	116	105.5 Å²	105.5	57%	0.571	54%	0.54	S	S	*	.	H	α-helix	trans	-63.9	-41.8	177.7	-64.4	-151.8	81.5	0	0	112.2	K72 S78 I79 D80	K72-M76 WeakPolarHBondContact O-CG 3.42Å; K72-M76 PolarHBondContact O-N 3.35Å; M76-S78 PolarHBondContact O-N 3.01Å; M76-I79 PolarHBondContact O-N 3.1Å; M76-D80 VanDerWaalsContact O-CG 3.31Å; M76-D80 PolarHBondContact O-N 2.91Å
77	K	58.5	Low	56.3	Low	156 Å²	156	106.7 Å²	106.7	68%	0.678	55%	0.55	S	S	*	.	H	α-helix	trans	-58.7	-32.6	173.9	-76.5	-179.5	177.6	-159.2	0	113.5	R73 K74 L75	R73-K77 WeakPolarHBondContact O-CB 3.43Å; R73-K77 VanDerWaalsContact O-CG 3.25Å; R73-K77 WeakPolarHBondContact O-CG 3.43Å; R73-K77 PolarHBondContact O-N 2.94Å; K74-K77 PolarHBondContact O-N 3.4Å; L75-K77 PolarHBondContact O-N 2.92Å
78	S	56.4	Low	54.2	Low	82 Å²	82	114.2 Å²	114.2	57%	0.573	59%	0.588	S	S	*	*	H	α-helix	trans	-75.1	-32.2	176.3	-166.8	0	0	0	0	112.3	K74 L75 M76	K74-S78 PolarHBondContact O-N 3.35Å; K74-S78 VanDerWaalsContact O-N 3.13Å; L75-S78 WeakPolarHBondContact O-CB 3.32Å; L75-S78 PolarHBondContact O-N 3.43Å; L75-S78 VanDerWaalsContact O-N 3.15Å; M76-S78 PolarHBondContact O-N 3.01Å
79	I	56	Low	52	Low	83 Å²	83	117.2 Å²	117.2	43%	0.426	62%	0.616	S	S	.	*	H	α-helix	trans	-78.7	-35.1	179	-65.9	162	0	0	0	111	L75 M76 S81 T82	L75-I79 HydrophobicContact CD1-CD1 4.33Å; L75-I79 HydrophobicContact CG-CD1 3.93Å; L75-I79 WeakPolarHBondContact O-CG1 3.37Å; L75-I79 PolarHBondContact O-N 2.84Å; L75-I79 VanDerWaalsContact O-N 3.08Å; M76-I79 PolarHBondContact O-N 3.1Å; I79-S81 PolarHBondContact O-N 3.2Å; I79-S81 VanDerWaalsContact O-N 3.13Å; I79-T82 CarbonylContact O-C 3.11Å; I79-T82 WeakPolarHBondContact O-CA 3.31Å; I79-T82 PolarHBondContact O-N 3.1Å; I79-T82 VanDerWaalsContact O-O 3.06Å
80	D	54	Low	50.5	Low	128 Å²	128	119.3 Å²	119.3	68%	0.684	63%	0.632	S	S	*	*	H	α-helix	trans	-62.9	-21.8	177.2	-68.4	-27.9	0	0	0	112.1	M76 T82	M76-D80 VanDerWaalsContact O-CG 3.31Å; M76-D80 PolarHBondContact O-N 2.91Å; D80-T82 VanDerWaalsContact C-N 3.31Å
81	S	51.1	Low	48.5	Very low	104 Å²	104	120.1 Å²	120.1	73%	0.727	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-15.1	169.5	-178.6	0	0	0	0	113.7	I79	I79-S81 PolarHBondContact O-N 3.2Å; I79-S81 VanDerWaalsContact O-N 3.13Å
82	T	44	Very low	46.8	Very low	85 Å²	85	122.9 Å²	122.9	52%	0.521	67%	0.67	S	S	.	*	S	Bend	trans	-140.6	84.1	-172.1	-32.8	0	0	0	0	109.9	I79 D80	I79-T82 CarbonylContact O-C 3.11Å; I79-T82 WeakPolarHBondContact O-CA 3.31Å; I79-T82 PolarHBondContact O-N 3.1Å; I79-T82 VanDerWaalsContact O-O 3.06Å; D80-T82 VanDerWaalsContact C-N 3.31Å
83	N	39.4	Very low	45.3	Very low	138 Å²	138	125.7 Å²	125.7	74%	0.738	69%	0.688	S	S	*	*			trans	92	119.4	162.7	-51.4	-39.2	0	0	0	118
84	K	34.7	Very low	43.9	Very low	202 Å²	202	124.2 Å²	124.2	88%	0.878	69%	0.693	S	S	*	*			trans	-45.4	138.6	156.4	-67.1	172	173.6	176.4	0	109.8
85	T	35.4	Very low	42.6	Very low	128 Å²	128	123.2 Å²	123.2	79%	0.785	70%	0.701	S	S	*	*				151.1	118.4	129.7	-64	0	0	0	0	112.9
86	T	36.3	Very low	41.5	Very low	118 Å²	118	124.3 Å²	124.3	72%	0.724	72%	0.716	S	S	*	*			trans	78.2	115.7	154.9	-41	0	0	0	0	120.8
87	P	36	Very low	40.2	Very low	120 Å²	120	125.4 Å²	125.4	78%	0.779	73%	0.73	S	S	*	*			trans	-82.2	135.2	176.3	32	-31	0	0	0	112.3
88	L	37.3	Very low	39.1	Very low	177 Å²	177	123.7 Å²	123.7	93%	0.927	74%	0.737	S	S	*	*			trans	-97	120.2	170.9	-80.2	166.5	0	0	0	111.1
89	S	33.6	Very low	38.1	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	75%	0.749	S	S	*	*			trans	-22.1	128.6	169.9	-168.6	0	0	0	0	117.1
90	S	37.2	Very low	37.1	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	76%	0.764	S	S	*	*			trans	-75.1	115.7	171	54.9	0	0	0	0	111
91	V	31.3	Very low	36.5	Very low	125 Å²	125	132 Å²	132	76%	0.758	77%	0.767	S	S	*	*			trans	-87.8	109.3	165.7	178.1	0	0	0	0	108.2	L93	V91-L93 HydrophobicContact CG1-CG 4.49Å; V91-L93 PolarHBondContact O-N 2.97Å
92	V	31.6	Very low	36.4	Very low	110 Å²	110	132.3 Å²	132.3	67%	0.667	77%	0.768	S	S	*	*			trans	-77	104.8	170.6	176.1	0	0	0	0	107.6	N94	V92-N94 PolarHBondContact O-N 3.35Å
93	L	33.8	Very low	36.3	Very low	158 Å²	158	139.3 Å²	139.3	83%	0.827	79%	0.785	S	S	*	*			trans	-85.8	104.1	167	-86	156	0	0	0	108.1	V91	V91-L93 HydrophobicContact CG1-CG 4.49Å; V91-L93 PolarHBondContact O-N 2.97Å
94	N	33.2	Very low	36.5	Very low	136 Å²	136	139 Å²	139	73%	0.727	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-67.8	134	169.8	-72.2	-35.4	0	0	0	109.7	V92 S96	V92-N94 PolarHBondContact O-N 3.35Å; N94-S96 PolarHBondContact O-N 2.78Å
95	P	37.2	Very low	37.1	Very low	121 Å²	121	136 Å²	136	79%	0.786	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-66.7	121.1	174.4	25.7	-30.8	0	0	0	109.8
96	S	35.8	Very low	37.6	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-64.7	132.6	172.5	41.3	0	0	0	0	110.2	N94 S98	N94-S96 PolarHBondContact O-N 2.78Å; S96-S98 PolarHBondContact O-N 2.81Å
97	T	32.3	Very low	38.2	Very low	139 Å²	139	136 Å²	136	85%	0.853	76%	0.762	S	S	*	*			trans	-54	97.4	176.3	41	0	0	0	0	111.3	K99	T97-K99 PolarHBondContact O-N 3.04Å
98	S	34.8	Very low	38.9	Very low	119 Å²	119	134.3 Å²	134.3	83%	0.832	75%	0.754	S	S	*	*			trans	-72.5	115.6	168.7	63.4	0	0	0	0	108.9	S96 D100	S96-S98 PolarHBondContact O-N 2.81Å; S98-D100 PolarHBondContact O-N 3.33Å
99	K	35.9	Very low	39.8	Very low	191 Å²	191	128.5 Å²	128.5	83%	0.83	72%	0.723	S	S	*	*			trans	-40.8	126.5	178	-79.4	163.9	174	170.9	0	113.2	T97 L101	T97-K99 PolarHBondContact O-N 3.04Å; K99-L101 PolarHBondContact O-N 2.77Å
100	D	34	Very low	41.3	Very low	137 Å²	137	130.5 Å²	130.5	73%	0.733	72%	0.72	S	S	*	*			trans	-50.1	94.3	167.8	-158.2	-1.5	0	0	0	111	S98 S102	S98-D100 PolarHBondContact O-N 3.33Å; D100-S102 PolarHBondContact OD1-OG 3.38Å
101	L	42.1	Very low	42.9	Very low	141 Å²	141	134 Å²	134	74%	0.738	72%	0.723	S	S	*	*			trans	-111.8	5.8	170.9	-85.4	165.2	0	0	0	111.8	K99	K99-L101 PolarHBondContact O-N 2.77Å
102	S	48.7	Very low	44.8	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-1.4	-173.8	37.7	0	0	0	0	115.2	D100 I104	D100-S102 PolarHBondContact OD1-OG 3.38Å; S102-I104 PolarHBondContact O-N 3.46Å
103	R	42.6	Very low	47.1	Very low	232 Å²	232	127.4 Å²	127.4	88%	0.875	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	17.9	-178.9	-148.4	179.1	-179.4	-159.5	0.1	114.6	H105	R103-H105 PolarHBondContact O-N 3.49Å
104	I	43	Very low	49.3	Very low	132 Å²	132	121.1 Å²	121.1	68%	0.677	66%	0.66	S	S	*	*	S	Bend	trans	-77.8	93.6	174.8	-56.4	176.8	0	0	0	108.7	S102 A106	S102-I104 PolarHBondContact O-N 3.46Å; I104-A106 PolarHBondContact O-N 3.4Å
105	H	46.1	Very low	51.6	Low	137 Å²	137	118.4 Å²	118.4	63%	0.634	64%	0.643	S	S	*	*			trans	38.1	74.6	153.3	-63.3	-82.9	0	0	0	117.4	R103 E107 S108	R103-H105 PolarHBondContact O-N 3.49Å; H105-E107 PolarHBondContact O-N 3.16Å; H105-S108 PolarHBondContact O-N 2.83Å
106	A	47.1	Very low	53.8	Low	49 Å²	49	116.2 Å²	116.2	41%	0.405	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-59.7	-24.3	164.4	0	0	0	0	0	112.6	I104	I104-A106 PolarHBondContact O-N 3.4Å
107	E	48	Very low	56.2	Low	197 Å²	197	116.7 Å²	116.7	92%	0.921	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-82	-10.2	-176.5	-65.9	177.2	-172.7	0	0	114.3	H105	H105-E107 PolarHBondContact O-N 3.16Å
108	S	50.7	Low	58.7	Low	86 Å²	86	111.5 Å²	111.5	60%	0.601	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-108.1	18.6	-177.8	-152.7	0	0	0	0	113.8	H105	H105-S108 PolarHBondContact O-N 2.83Å
109	L	57.6	Low	61.1	Low	54 Å²	54	107.6 Å²	107.6	28%	0.283	54%	0.54	S	S	.	.	S	Bend	trans	-87.2	122.4	174.6	-66.6	167.6	0	0	0	109.3	K111 E115 W116 N119	L109-K111 PolarHBondContact O-N 2.64Å; L109-E115 HydrophobicContact CD1-CB 3.48Å; L109-E115 VanDerWaalsContact CD1-CB 3.48Å; L109-E115 HydrophobicContact CD2-CB 3.77Å; L109-E115 HydrophobicContact CD2-CG 4.36Å; L109-E115 HydrophobicContact CG-CB 4.18Å; L109-W116 HydrophobicContact CB-CB 4.03Å; L109-N119 VanDerWaalsContact CD1-ND2 3.35Å; L109-N119 WeakPolarHBondContact CD1-ND2 3.33Å
110	H	65.4	Low	63.6	Low	149 Å²	149	102.6 Å²	102.6	69%	0.69	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-58.1	129.2	179.7	-68.2	27.2	0	0	0	109.3	G112 T113	H110-G112 PolarHBondContact O-N 2.69Å; H110-T113 HydrophobicContact CB-CG2 4.02Å; H110-T113 WeakPolarHBondContact O-CG2 3.41Å; H110-T113 PolarHBondContact O-N 2.89Å; H110-T113 PolarHBondContact O-OG1 2.79Å
111	K	70.3	Confident	66.1	Low	177 Å²	177	96.1 Å²	96.1	77%	0.77	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	120.1	178.4	-177.4	173	-178.4	-179.9	0	109.4	L109 W116	L109-K111 PolarHBondContact O-N 2.64Å; K111-W116 HydrophobicContact CB-CD2 4.5Å; K111-W116 HydrophobicContact CD-CZ2 4.26Å; K111-W116 HydrophobicContact CG-CD2 4.24Å; K111-W116 HydrophobicContact CG-CE3 4.38Å; K111-W116 HydrophobicContact CG-CH2 4.02Å; K111-W116 HydrophobicContact CG-CZ2 3.84Å; K111-W116 HydrophobicContact CG-CZ3 4.28Å
112	G	71.4	Confident	68.2	Low	50 Å²	50	89.9 Å²	89.9	52%	0.515	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.5	-14.2	-178	0	0	0	0	0	115.5	H110	H110-G112 PolarHBondContact O-N 2.69Å
113	T	79.3	Confident	69.9	Low	46 Å²	46	88.5 Å²	88.5	28%	0.282	44%	0.436	S	S	.	.	S	Bend	trans	-65.6	157.6	171.6	66.7	0	0	0	0	111.3	H110 E115 W116 R117	H110-T113 HydrophobicContact CB-CG2 4.02Å; H110-T113 WeakPolarHBondContact O-CG2 3.41Å; H110-T113 PolarHBondContact O-N 2.89Å; H110-T113 PolarHBondContact O-OG1 2.79Å; T113-E115 VanDerWaalsContact CB-OE2 3.28Å; T113-E115 WeakPolarHBondContact CB-OE2 3.37Å; T113-E115 PolarHBondContact O-N 3.28Å; T113-E115 PolarHBondContact OG1-OE2 2.88Å; T113-W116 PolarHBondContact O-N 3.31Å; T113-W116 WeakPolarHBondContact OG1-CB 3.36Å; T113-W116 PolarHBondContact OG1-N 3.42Å; T113-R117 WeakPolarHBondContact O-CG 3.47Å; T113-R117 PolarHBondContact O-N 3.27Å
114	L	80	Confident	72	Confident	26 Å²	26	81.8 Å²	81.8	14%	0.136	42%	0.418	C	S	.	.	H	α-helix	trans	-63.4	-35	179.3	-71.8	174.9	0	0	0	111.1	R117 L118 I133 I137	L114-R117 PolarHBondContact O-N 2.92Å; L114-L118 VanDerWaalsContact O-CB 3.31Å; L114-L118 WeakPolarHBondContact O-CB 3.44Å; L114-L118 PolarHBondContact O-N 2.68Å; L114-I133 HydrophobicContact CB-CG2 4.36Å; L114-I133 HydrophobicContact CD2-CG2 4.37Å; L114-I133 WeakPolarHBondContact O-CG2 3.41Å; L114-I137 HydrophobicContact CB-CD1 3.99Å; L114-I137 HydrophobicContact CB-CG1 3.81Å; L114-I137 HydrophobicContact CD1-CG1 4.02Å
115	E	80.8	Confident	73.9	Confident	80 Å²	80	77.2 Å²	77.2	37%	0.374	40%	0.404	S	S	.	.	H	α-helix	trans	-67.6	-39.2	176.3	-55.6	72	-154.9	0	0	110.8	L109 T113 L118 N119	L109-E115 HydrophobicContact CD1-CB 3.48Å; L109-E115 VanDerWaalsContact CD1-CB 3.48Å; L109-E115 HydrophobicContact CD2-CB 3.77Å; L109-E115 HydrophobicContact CD2-CG 4.36Å; L109-E115 HydrophobicContact CG-CB 4.18Å; T113-E115 VanDerWaalsContact CB-OE2 3.28Å; T113-E115 WeakPolarHBondContact CB-OE2 3.37Å; T113-E115 PolarHBondContact O-N 3.28Å; T113-E115 PolarHBondContact OG1-OE2 2.88Å; E115-L118 PolarHBondContact O-N 3.48Å; E115-N119 PolarHBondContact O-N 3.12Å; E115-N119 PolarHBondContact O-ND2 2.99Å
116	W	83.5	Confident	75.8	Confident	75 Å²	75	75.4 Å²	75.4	28%	0.284	40%	0.395	S	S	.	.	H	α-helix	trans	-64	-45.7	173.1	-176.7	88.6	0	0	0	110.9	L109 K111 T113 L118 N119 H120	L109-W116 HydrophobicContact CB-CB 4.03Å; K111-W116 HydrophobicContact CB-CD2 4.5Å; K111-W116 HydrophobicContact CD-CZ2 4.26Å; K111-W116 HydrophobicContact CG-CD2 4.24Å; K111-W116 HydrophobicContact CG-CE3 4.38Å; K111-W116 HydrophobicContact CG-CH2 4.02Å; K111-W116 HydrophobicContact CG-CZ2 3.84Å; K111-W116 HydrophobicContact CG-CZ3 4.28Å; T113-W116 PolarHBondContact O-N 3.31Å; T113-W116 WeakPolarHBondContact OG1-CB 3.36Å; T113-W116 PolarHBondContact OG1-N 3.42Å; W116-L118 VanDerWaalsContact C-N 3.3Å; W116-L118 PolarHBondContact O-N 3.36Å; W116-N119 PolarHBondContact O-N 3.35Å; W116-H120 HydrophobicContact CH2-CB 4.35Å; W116-H120 AromaticContact CH2-CD2 3.8Å; W116-H120 AromaticContact CZ2-CD2 4Å; W116-H120 HydrophobicContact CZ3-CB 4.33Å; W116-H120 WeakPolarHBondContact O-CB 3.31Å; W116-H120 PolarHBondContact O-N 3.44Å
117	R	86.3	Confident	77.6	Confident	123 Å²	123	74.3 Å²	74.3	46%	0.464	38%	0.382	S	S	.	.	H	α-helix	trans	-63.3	-36.4	177.6	-68.9	174.3	64.2	179.6	0.5	112.2	T113 L114 A121 I133	T113-R117 WeakPolarHBondContact O-CG 3.47Å; T113-R117 PolarHBondContact O-N 3.27Å; L114-R117 PolarHBondContact O-N 2.92Å; R117-A121 WeakPolarHBondContact O-CB 3.49Å; R117-A121 PolarHBondContact O-N 3.22Å; R117-I133 HydrophobicContact CB-CD1 3.93Å
118	L	85.8	Confident	79.3	Confident	30 Å²	30	70.8 Å²	70.8	16%	0.157	37%	0.37	C	S	.	.	H	α-helix	trans	-62.7	-52.1	175.7	178.8	62.7	0	0	0	110.7	L9 L114 E115 W116 H120 A121 I122 A130 I133 I137	L9-L118 HydrophobicContact CD2-CD1 4.13Å; L114-L118 VanDerWaalsContact O-CB 3.31Å; L114-L118 WeakPolarHBondContact O-CB 3.44Å; L114-L118 PolarHBondContact O-N 2.68Å; E115-L118 PolarHBondContact O-N 3.48Å; W116-L118 VanDerWaalsContact C-N 3.3Å; W116-L118 PolarHBondContact O-N 3.36Å; L118-H120 PolarHBondContact O-N 3.41Å; L118-A121 PolarHBondContact O-N 3.18Å; L118-I122 HydrophobicContact CD1-CD1 4.46Å; L118-I122 HydrophobicContact CG-CD1 4.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.24Å; L118-I122 PolarHBondContact O-N 3.08Å; L118-A130 HydrophobicContact CD1-CB 3.87Å; L118-A130 VanDerWaalsContact CD1-O 3.24Å; L118-A130 WeakPolarHBondContact CD1-O 3.37Å; L118-I133 HydrophobicContact CB-CG2 3.93Å; L118-I133 HydrophobicContact CD1-CB 4.41Å; L118-I133 HydrophobicContact CD1-CG2 4.42Å; L118-I137 HydrophobicContact CD2-CD1 4.2Å
119	N	84.7	Confident	81	Confident	38 Å²	38	69.8 Å²	69.8	20%	0.203	36%	0.357	C	S	.	.	H	α-helix	trans	-60	-45.8	177.6	-76.6	-52.1	0	0	0	111.6	L109 E115 W116 A121 I122 D123	L109-N119 VanDerWaalsContact CD1-ND2 3.35Å; L109-N119 WeakPolarHBondContact CD1-ND2 3.33Å; E115-N119 PolarHBondContact O-N 3.12Å; E115-N119 PolarHBondContact O-ND2 2.99Å; W116-N119 PolarHBondContact O-N 3.35Å; N119-A121 VanDerWaalsContact C-N 3.3Å; N119-A121 PolarHBondContact O-N 3.07Å; N119-I122 WeakPolarHBondContact O-CB 3.4Å; N119-I122 PolarHBondContact O-N 3.09Å; N119-I122 VanDerWaalsContact O-N 3.13Å; N119-D123 VanDerWaalsContact O-CG 3.23Å; N119-D123 PolarHBondContact O-N 3.02Å
120	H	87.8	Confident	82.3	Confident	85 Å²	85	67.2 Å²	67.2	39%	0.394	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-35.2	177.6	-173.4	-93.7	0	0	0	112.9	W116 L118 N124	W116-H120 HydrophobicContact CH2-CB 4.35Å; W116-H120 AromaticContact CH2-CD2 3.8Å; W116-H120 AromaticContact CZ2-CD2 4Å; W116-H120 HydrophobicContact CZ3-CB 4.33Å; W116-H120 WeakPolarHBondContact O-CB 3.31Å; W116-H120 PolarHBondContact O-N 3.44Å; L118-H120 PolarHBondContact O-N 3.41Å; H120-N124 PolarHBondContact CE1-ND2 2.92Å; H120-N124 PolarHBondContact ND1-ND2 2.73Å; H120-N124 WeakPolarHBondContact O-CB 3.37Å; H120-N124 VanDerWaalsContact O-CG 3.29Å; H120-N124 PolarHBondContact O-N 3.32Å; H120-N124 VanDerWaalsContact O-N 3.12Å; H120-N124 PolarHBondContact O-ND2 3.18Å
121	A	86.2	Confident	83.2	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-68.4	-39.4	174.4	0	0	0	0	0	112.2	R117 L118 N119 N124 G125 Q126 L129 A130 I133	R117-A121 WeakPolarHBondContact O-CB 3.49Å; R117-A121 PolarHBondContact O-N 3.22Å; L118-A121 PolarHBondContact O-N 3.18Å; N119-A121 VanDerWaalsContact C-N 3.3Å; N119-A121 PolarHBondContact O-N 3.07Å; A121-N124 PolarHBondContact O-N 3Å; A121-G125 PolarHBondContact O-N 2.67Å; A121-Q126 PolarHBondContact O-N 3.11Å; A121-L129 HydrophobicContact CB-CB 4.42Å; A121-L129 HydrophobicContact CB-CD2 4.17Å; A121-L129 HydrophobicContact CB-CG 4.25Å; A121-A130 HydrophobicContact CB-CB 4.05Å; A121-I133 HydrophobicContact CB-CD1 4.34Å
122	I	86.3	Confident	83.9	Confident	10 Å²	10	61.4 Å²	61.4	5%	0.051	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-46.4	174	-64.6	166.1	0	0	0	110.2	L5 L9 L118 N119 N124 G125 A130	L5-I122 HydrophobicContact CB-CG2 4.08Å; L5-I122 WeakPolarHBondContact CD1-O 3.32Å; L9-I122 HydrophobicContact CD2-CD1 3.6Å; L9-I122 HydrophobicContact CD2-CG1 3.9Å; L118-I122 HydrophobicContact CD1-CD1 4.46Å; L118-I122 HydrophobicContact CG-CD1 4.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.24Å; L118-I122 PolarHBondContact O-N 3.08Å; N119-I122 WeakPolarHBondContact O-CB 3.4Å; N119-I122 PolarHBondContact O-N 3.09Å; N119-I122 VanDerWaalsContact O-N 3.13Å; I122-N124 VanDerWaalsContact C-N 3.26Å; I122-N124 PolarHBondContact O-N 3.25Å; I122-G125 PolarHBondContact O-N 3.43Å; I122-A130 HydrophobicContact CG1-CB 4.05Å
123	D	85	Confident	84.6	Confident	81 Å²	81	59.4 Å²	59.4	43%	0.433	30%	0.295	S	S	.	.	H	α-helix	trans	-63	-33.6	-178.7	-66	-24.2	0	0	0	112.1	R2 N119 G125	R2-D123 VanDerWaalsContact CD-OD1 3.25Å; R2-D123 WeakPolarHBondContact CD-OD1 3.41Å; R2-D123 WeakPolarHBondContact CG-OD1 3.49Å; R2-D123 IonicContact CZ-OD1 3.66Å; R2-D123 IonicContact NE-OD1 2.69Å; R2-D123 PolarHBondContact NE-OD1 3.31Å; R2-D123 IonicContact NH2-OD1 3.92Å; N119-D123 VanDerWaalsContact O-CG 3.23Å; N119-D123 PolarHBondContact O-N 3.02Å; D123-G125 VanDerWaalsContact C-N 3.33Å
124	N	87	Confident	84.8	Confident	91 Å²	91	58.4 Å²	58.4	49%	0.487	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	2.5	176.1	-67.9	-22.9	0	0	0	114.3	H120 A121 I122 Q126	H120-N124 PolarHBondContact CE1-ND2 2.92Å; H120-N124 PolarHBondContact ND1-ND2 2.73Å; H120-N124 WeakPolarHBondContact O-CB 3.37Å; H120-N124 VanDerWaalsContact O-CG 3.29Å; H120-N124 PolarHBondContact O-N 3.32Å; H120-N124 VanDerWaalsContact O-N 3.12Å; H120-N124 PolarHBondContact O-ND2 3.18Å; A121-N124 PolarHBondContact O-N 3Å; I122-N124 VanDerWaalsContact C-N 3.26Å; I122-N124 PolarHBondContact O-N 3.25Å; N124-Q126 VanDerWaalsContact C-N 3.27Å; N124-Q126 HydrophobicContact CB-CG 4.28Å; N124-Q126 PolarHBondContact O-N 2.93Å
125	G	82.8	Confident	84.8	Confident	37 Å²	37	60 Å²	60	38%	0.381	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	12.7	-179.1	0	0	0	0	0	115.4	A121 I122 D123 I127	A121-G125 PolarHBondContact O-N 2.67Å; I122-G125 PolarHBondContact O-N 3.43Å; D123-G125 VanDerWaalsContact C-N 3.33Å; G125-I127 PolarHBondContact O-N 3.39Å; G125-I127 VanDerWaalsContact O-N 3.08Å
126	Q	85.6	Confident	84.9	Confident	98 Å²	98	58 Å²	58	46%	0.458	29%	0.293	S	S	.	.			trans	-86	70.8	-179	-62.8	-175.9	-5.7	0	0	111.4	A121 N124 D128 L129 A130	A121-Q126 PolarHBondContact O-N 3.11Å; N124-Q126 VanDerWaalsContact C-N 3.27Å; N124-Q126 HydrophobicContact CB-CG 4.28Å; N124-Q126 PolarHBondContact O-N 2.93Å; Q126-D128 PolarHBondContact O-N 3.18Å; Q126-L129 HydrophobicContact CB-CB 4.04Å; Q126-L129 PolarHBondContact O-N 2.88Å; Q126-A130 PolarHBondContact O-N 3.35Å
127	I	84.8	Confident	84.8	Confident	27 Å²	27	56.2 Å²	56.2	14%	0.138	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-41.7	-175	-60.7	-57.9	0	0	0	113	L5 L12 G125 L129 A130 E131	L5-I127 HydrophobicContact CB-CD1 4.02Å; L5-I127 HydrophobicContact CD2-CD1 3.73Å; L5-I127 HydrophobicContact CD2-CG1 3.99Å; L5-I127 HydrophobicContact CG-CD1 4.46Å; L12-I127 HydrophobicContact CD1-CG2 3.75Å; G125-I127 PolarHBondContact O-N 3.39Å; G125-I127 VanDerWaalsContact O-N 3.08Å; I127-L129 VanDerWaalsContact C-N 3.28Å; I127-L129 PolarHBondContact O-N 3.37Å; I127-A130 WeakPolarHBondContact O-CB 3.49Å; I127-A130 PolarHBondContact O-N 3.47Å; I127-E131 PolarHBondContact O-N 2.87Å
128	D	83.7	Confident	84	Confident	122 Å²	122	51.4 Å²	51.4	65%	0.652	28%	0.278	S	S	*	.	H	α-helix	trans	-64	-33.9	179.3	-62	-25.2	0	0	0	112.3	Q126 K132	Q126-D128 PolarHBondContact O-N 3.18Å; D128-K132 WeakPolarHBondContact O-CG 3.42Å; D128-K132 PolarHBondContact O-N 3.18Å
129	L	86.9	Confident	83.2	Confident	66 Å²	66	55 Å²	55	35%	0.346	30%	0.297	S	S	.	.	H	α-helix	trans	-73.1	-42.1	175.4	-178.8	63.1	0	0	0	110.7	A121 Q126 I127 E131 K132 I133	A121-L129 HydrophobicContact CB-CB 4.42Å; A121-L129 HydrophobicContact CB-CD2 4.17Å; A121-L129 HydrophobicContact CB-CG 4.25Å; Q126-L129 HydrophobicContact CB-CB 4.04Å; Q126-L129 PolarHBondContact O-N 2.88Å; I127-L129 VanDerWaalsContact C-N 3.28Å; I127-L129 PolarHBondContact O-N 3.37Å; L129-E131 VanDerWaalsContact C-N 3.29Å; L129-E131 PolarHBondContact O-N 3.42Å; L129-K132 PolarHBondContact O-N 3.38Å; L129-I133 HydrophobicContact CD1-CD1 4.23Å; L129-I133 HydrophobicContact CD1-CG1 4.39Å; L129-I133 HydrophobicContact CD2-CD1 4.47Å; L129-I133 HydrophobicContact CG-CD1 3.89Å; L129-I133 HydrophobicContact CG-CG1 4.47Å; L129-I133 VanDerWaalsContact O-CG1 3.31Å; L129-I133 WeakPolarHBondContact O-CG1 3.5Å; L129-I133 PolarHBondContact O-N 2.76Å
130	A	85.6	Confident	82.2	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-40.5	175.2	0	0	0	0	0	111.5	L9 L118 A121 I122 Q126 I127 I133 S134	L9-A130 HydrophobicContact CD1-CB 4.17Å; L9-A130 HydrophobicContact CD2-CB 4.05Å; L118-A130 HydrophobicContact CD1-CB 3.87Å; L118-A130 VanDerWaalsContact CD1-O 3.24Å; L118-A130 WeakPolarHBondContact CD1-O 3.37Å; A121-A130 HydrophobicContact CB-CB 4.05Å; I122-A130 HydrophobicContact CG1-CB 4.05Å; Q126-A130 PolarHBondContact O-N 3.35Å; I127-A130 WeakPolarHBondContact O-CB 3.49Å; I127-A130 PolarHBondContact O-N 3.47Å; A130-I133 PolarHBondContact O-N 3.2Å; A130-S134 WeakPolarHBondContact O-CB 3.31Å; A130-S134 PolarHBondContact O-N 3.04Å
131	E	83	Confident	80.9	Confident	57 Å²	57	62 Å²	62	27%	0.266	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-49.1	173.9	-173.4	177.1	-175	0	0	111.5	L9 K16 I127 L129 I133 S134 D135	L9-E131 HydrophobicContact CD1-CB 4.47Å; K16-E131 IonicContact NZ-OE1 3.91Å; I127-E131 PolarHBondContact O-N 2.87Å; L129-E131 VanDerWaalsContact C-N 3.29Å; L129-E131 PolarHBondContact O-N 3.42Å; E131-I133 VanDerWaalsContact C-N 3.33Å; E131-I133 PolarHBondContact O-N 2.87Å; E131-S134 WeakPolarHBondContact O-CB 3.37Å; E131-S134 PolarHBondContact O-N 3.33Å; E131-D135 PolarHBondContact O-N 2.94Å
132	K	86.2	Confident	79.2	Confident	147 Å²	147	69.1 Å²	69.1	64%	0.639	36%	0.356	S	S	*	.	H	α-helix	trans	-59.7	-40.9	177.5	-72.2	171.7	-175.4	176.4	0	112.9	D128 L129 D135 S136	D128-K132 WeakPolarHBondContact O-CG 3.42Å; D128-K132 PolarHBondContact O-N 3.18Å; L129-K132 PolarHBondContact O-N 3.38Å; K132-D135 PolarHBondContact O-N 3.41Å; K132-S136 PolarHBondContact O-N 2.97Å; K132-S136 VanDerWaalsContact O-N 3.08Å
133	I	85.8	Confident	77.6	Confident	8 Å²	8	71.6 Å²	71.6	4%	0.041	37%	0.374	C	S	.	.	H	α-helix	trans	-66.9	-44.4	177	-66.1	165.3	0	0	0	109.8	L114 R117 L118 A121 L129 A130 E131 D135 S136 I137	L114-I133 HydrophobicContact CB-CG2 4.36Å; L114-I133 HydrophobicContact CD2-CG2 4.37Å; L114-I133 WeakPolarHBondContact O-CG2 3.41Å; R117-I133 HydrophobicContact CB-CD1 3.93Å; L118-I133 HydrophobicContact CB-CG2 3.93Å; L118-I133 HydrophobicContact CD1-CB 4.41Å; L118-I133 HydrophobicContact CD1-CG2 4.42Å; A121-I133 HydrophobicContact CB-CD1 4.34Å; L129-I133 HydrophobicContact CD1-CD1 4.23Å; L129-I133 HydrophobicContact CD1-CG1 4.39Å; L129-I133 HydrophobicContact CD2-CD1 4.47Å; L129-I133 HydrophobicContact CG-CD1 3.89Å; L129-I133 HydrophobicContact CG-CG1 4.47Å; L129-I133 VanDerWaalsContact O-CG1 3.31Å; L129-I133 WeakPolarHBondContact O-CG1 3.5Å; L129-I133 PolarHBondContact O-N 2.76Å; A130-I133 PolarHBondContact O-N 3.2Å; E131-I133 VanDerWaalsContact C-N 3.33Å; E131-I133 PolarHBondContact O-N 2.87Å; I133-D135 VanDerWaalsContact C-N 3.3Å; I133-D135 PolarHBondContact O-N 3.14Å; I133-S136 WeakPolarHBondContact O-CB 3.5Å; I133-S136 PolarHBondContact O-N 3.46Å; I133-S136 VanDerWaalsContact O-N 3.11Å; I133-S136 PolarHBondContact O-OG 3.29Å; I133-I137 HydrophobicContact CG2-CD1 4.11Å; I133-I137 WeakPolarHBondContact O-CG1 3.29Å; I133-I137 PolarHBondContact O-N 3Å
134	S	83.6	Confident	75.9	Confident	24 Å²	24	71.6 Å²	71.6	17%	0.168	38%	0.377	C	S	.	.	H	α-helix	trans	-58.3	-42.1	175.8	179.5	0	0	0	0	112.3	Q13 A130 E131 S136 I137 G138	Q13-S134 PolarHBondContact NE2-OG 3.37Å; A130-S134 WeakPolarHBondContact O-CB 3.31Å; A130-S134 PolarHBondContact O-N 3.04Å; E131-S134 WeakPolarHBondContact O-CB 3.37Å; E131-S134 PolarHBondContact O-N 3.33Å; S134-S136 VanDerWaalsContact C-N 3.34Å; S134-I137 PolarHBondContact O-N 3.08Å; S134-G138 PolarHBondContact O-N 2.94Å
135	D	80.4	Confident	73.9	Confident	59 Å²	59	71.5 Å²	71.5	32%	0.316	38%	0.38	S	S	.	.	H	α-helix	trans	-60.9	-44.8	175.1	-75.7	-14.4	0	0	0	110.7	K16 E131 K132 I133 I137 G138 D139	K16-D135 IonicContact NZ-OD1 3.22Å; K16-D135 PolarHBondContact NZ-OD1 3.39Å; K16-D135 IonicContact NZ-OD2 3.53Å; K16-D135 PolarHBondContact NZ-OD2 2.93Å; E131-D135 PolarHBondContact O-N 2.94Å; K132-D135 PolarHBondContact O-N 3.41Å; I133-D135 VanDerWaalsContact C-N 3.3Å; I133-D135 PolarHBondContact O-N 3.14Å; D135-I137 VanDerWaalsContact C-N 3.28Å; D135-I137 PolarHBondContact O-N 3.34Å; D135-G138 CarbonylContact O-C 3.6Å; D135-G138 WeakPolarHBondContact O-CA 3.48Å; D135-G138 PolarHBondContact O-N 3.23Å; D135-G138 VanDerWaalsContact O-N 3.09Å; D135-D139 PolarHBondContact O-N 2.99Å
136	S	82.7	Confident	72	Confident	39 Å²	39	71.9 Å²	71.9	27%	0.273	38%	0.377	S	S	.	.	H	α-helix	trans	-62.5	-33.4	178.1	80	0	0	0	0	113.6	K132 I133 S134 R140	K132-S136 PolarHBondContact O-N 2.97Å; K132-S136 VanDerWaalsContact O-N 3.08Å; I133-S136 WeakPolarHBondContact O-CB 3.5Å; I133-S136 PolarHBondContact O-N 3.46Å; I133-S136 VanDerWaalsContact O-N 3.11Å; I133-S136 PolarHBondContact O-OG 3.29Å; S134-S136 VanDerWaalsContact C-N 3.34Å; S136-R140 WeakPolarHBondContact O-CG 3.28Å; S136-R140 PolarHBondContact O-N 3.38Å; S136-R140 VanDerWaalsContact O-N 3.12Å
137	I	80.6	Confident	69.8	Low	38 Å²	38	72.8 Å²	72.8	20%	0.195	39%	0.385	C	S	.	.	H	α-helix	trans	-68.2	-45.3	174.1	-66.5	168	0	0	0	109.3	L114 L118 I133 S134 D135 R140 L141	L114-I137 HydrophobicContact CB-CD1 3.99Å; L114-I137 HydrophobicContact CB-CG1 3.81Å; L114-I137 HydrophobicContact CD1-CG1 4.02Å; L118-I137 HydrophobicContact CD2-CD1 4.2Å; I133-I137 HydrophobicContact CG2-CD1 4.11Å; I133-I137 WeakPolarHBondContact O-CG1 3.29Å; I133-I137 PolarHBondContact O-N 3Å; S134-I137 PolarHBondContact O-N 3.08Å; D135-I137 VanDerWaalsContact C-N 3.28Å; D135-I137 PolarHBondContact O-N 3.34Å; I137-R140 PolarHBondContact O-N 3.42Å; I137-L141 WeakPolarHBondContact O-CG 3.28Å; I137-L141 PolarHBondContact O-N 3.01Å
138	G	70.2	Confident	67.8	Low	22 Å²	22	80.2 Å²	80.2	23%	0.227	42%	0.416	C	S	.	.	H	α-helix	trans	-57.5	-49.2	174.7	0	0	0	0	0	112.4	S134 D135 R140 L141 F142	S134-G138 PolarHBondContact O-N 2.94Å; D135-G138 CarbonylContact O-C 3.6Å; D135-G138 WeakPolarHBondContact O-CA 3.48Å; D135-G138 PolarHBondContact O-N 3.23Å; D135-G138 VanDerWaalsContact O-N 3.09Å; G138-R140 VanDerWaalsContact C-N 3.31Å; G138-R140 PolarHBondContact O-N 3.24Å; G138-L141 WeakPolarHBondContact O-CB 3.35Å; G138-L141 PolarHBondContact O-N 2.87Å; G138-F142 WeakPolarHBondContact O-CD2 3.42Å; G138-F142 PolarHBondContact O-N 2.97Å; G138-F142 VanDerWaalsContact O-N 3.16Å
139	D	69.5	Low	65.7	Low	104 Å²	104	81.3 Å²	81.3	56%	0.556	42%	0.422	S	S	*	.	H	α-helix	trans	-62.8	-35.3	-179.5	-71	-17	0	0	0	112.5	D135 F142 S143	D135-D139 PolarHBondContact O-N 2.99Å; D139-F142 PolarHBondContact O-N 3.31Å; D139-S143 WeakPolarHBondContact O-CB 3.34Å; D139-S143 PolarHBondContact O-N 3.33Å; D139-S143 PolarHBondContact O-OG 3.28Å
140	R	63.4	Low	63.5	Low	159 Å²	159	82.9 Å²	82.9	60%	0.6	43%	0.43	S	S	*	.	H	α-helix	trans	-66.4	-36	173.2	-79.6	-176.7	177.3	-157.6	-1.3	112.5	S136 I137 G138 F142 S143 T144	S136-R140 WeakPolarHBondContact O-CG 3.28Å; S136-R140 PolarHBondContact O-N 3.38Å; S136-R140 VanDerWaalsContact O-N 3.12Å; I137-R140 PolarHBondContact O-N 3.42Å; G138-R140 VanDerWaalsContact C-N 3.31Å; G138-R140 PolarHBondContact O-N 3.24Å; R140-F142 VanDerWaalsContact C-N 3.3Å; R140-F142 PolarHBondContact O-N 3.4Å; R140-S143 PolarHBondContact O-N 2.92Å; R140-T144 WeakPolarHBondContact O-CB 3.35Å; R140-T144 VanDerWaalsContact O-CG2 3.31Å; R140-T144 WeakPolarHBondContact O-CG2 3.43Å; R140-T144 PolarHBondContact O-N 3.19Å; R140-T144 PolarHBondContact O-OG1 3.37Å
141	L	59.7	Low	60.9	Low	113 Å²	113	90.9 Å²	90.9	59%	0.592	47%	0.467	S	S	*	.	H	α-helix	trans	-66.2	-34.9	175.6	-67.3	169.3	0	0	0	111.4	I137 G138 T144 T145	I137-L141 WeakPolarHBondContact O-CG 3.28Å; I137-L141 PolarHBondContact O-N 3.01Å; G138-L141 WeakPolarHBondContact O-CB 3.35Å; G138-L141 PolarHBondContact O-N 2.87Å; L141-T144 PolarHBondContact O-OG1 2.93Å; L141-T145 WeakPolarHBondContact O-CG2 3.35Å; L141-T145 PolarHBondContact O-N 3.2Å; L141-T145 PolarHBondContact O-OG1 3.22Å
142	F	51	Low	58.6	Low	150 Å²	150	95.8 Å²	95.8	66%	0.658	49%	0.494	S	S	*	.	H	α-helix	trans	-75.9	-38.8	172.8	-66.5	-67.5	0	0	0	113.1	G138 D139 R140 T145 S146	G138-F142 WeakPolarHBondContact O-CD2 3.42Å; G138-F142 PolarHBondContact O-N 2.97Å; G138-F142 VanDerWaalsContact O-N 3.16Å; D139-F142 PolarHBondContact O-N 3.31Å; R140-F142 VanDerWaalsContact C-N 3.3Å; R140-F142 PolarHBondContact O-N 3.4Å; F142-T145 WeakPolarHBondContact CA-OG1 3.48Å; F142-T145 PolarHBondContact O-N 3Å; F142-T145 PolarHBondContact O-OG1 2.95Å; F142-S146 WeakPolarHBondContact O-CB 3.36Å; F142-S146 PolarHBondContact O-N 3.35Å
143	S	52.3	Low	56.4	Low	61 Å²	61	94.6 Å²	94.6	43%	0.427	50%	0.499	S	S	.	.	H	α-helix	trans	-65.9	-47.1	179.3	-56.1	0	0	0	0	111.1	D139 R140 T145 S146 D147	D139-S143 WeakPolarHBondContact O-CB 3.34Å; D139-S143 PolarHBondContact O-N 3.33Å; D139-S143 PolarHBondContact O-OG 3.28Å; R140-S143 PolarHBondContact O-N 2.92Å; S143-T145 VanDerWaalsContact C-N 3.3Å; S143-T145 PolarHBondContact O-N 3.38Å; S143-S146 PolarHBondContact O-N 3.07Å; S143-S146 VanDerWaalsContact O-N 3.1Å; S143-S146 PolarHBondContact O-OG 2.82Å; S143-D147 PolarHBondContact O-N 3.35Å
144	T	48.8	Very low	54.1	Low	81 Å²	81	102.5 Å²	102.5	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-67.8	-27	179.8	53.3	0	0	0	0	113.7	R140 L141	R140-T144 WeakPolarHBondContact O-CB 3.35Å; R140-T144 VanDerWaalsContact O-CG2 3.31Å; R140-T144 WeakPolarHBondContact O-CG2 3.43Å; R140-T144 PolarHBondContact O-N 3.19Å; R140-T144 PolarHBondContact O-OG1 3.37Å; L141-T144 PolarHBondContact O-OG1 2.93Å
145	T	45	Very low	51.6	Low	89 Å²	89	104 Å²	104	55%	0.546	56%	0.56	S	S	.	*	H	α-helix	trans	-79.6	-30.2	171.6	47.9	0	0	0	0	112.2	L141 F142 S143	L141-T145 WeakPolarHBondContact O-CG2 3.35Å; L141-T145 PolarHBondContact O-N 3.2Å; L141-T145 PolarHBondContact O-OG1 3.22Å; F142-T145 WeakPolarHBondContact CA-OG1 3.48Å; F142-T145 PolarHBondContact O-N 3Å; F142-T145 PolarHBondContact O-OG1 2.95Å; S143-T145 VanDerWaalsContact C-N 3.3Å; S143-T145 PolarHBondContact O-N 3.38Å
146	S	43.8	Very low	49.5	Very low	46 Å²	46	110.8 Å²	110.8	32%	0.322	59%	0.587	S	S	.	*	H	α-helix	trans	-71	-37.9	175.8	81.1	0	0	0	0	112.9	F142 S143 K148 N149 I150	F142-S146 WeakPolarHBondContact O-CB 3.36Å; F142-S146 PolarHBondContact O-N 3.35Å; S143-S146 PolarHBondContact O-N 3.07Å; S143-S146 VanDerWaalsContact O-N 3.1Å; S143-S146 PolarHBondContact O-OG 2.82Å; S146-K148 PolarHBondContact O-N 3.42Å; S146-N149 PolarHBondContact O-N 3.43Å; S146-N149 VanDerWaalsContact O-N 3.1Å; S146-I150 WeakPolarHBondContact O-CD1 3.47Å; S146-I150 VanDerWaalsContact O-CG1 3.3Å; S146-I150 WeakPolarHBondContact O-CG1 3.39Å; S146-I150 PolarHBondContact O-N 3.03Å
147	D	39.5	Very low	47.6	Very low	116 Å²	116	116.5 Å²	116.5	62%	0.62	61%	0.609	S	S	*	*	H	α-helix	trans	-65.2	-26.9	-176.4	-73	-25	0	0	0	113	S143 N149	S143-D147 PolarHBondContact O-N 3.35Å; D147-N149 VanDerWaalsContact C-N 3.31Å; D147-N149 PolarHBondContact O-N 2.93Å
148	K	42.8	Very low	45.7	Very low	184 Å²	184	122.2 Å²	122.2	80%	0.8	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-15.5	178.1	-68.1	-173.5	-180	-179	0	114.2	S146	S146-K148 PolarHBondContact O-N 3.42Å
149	N	39.5	Very low	44.4	Very low	144 Å²	144	129.7 Å²	129.7	77%	0.77	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-5.1	-178.8	-77.1	-31.8	0	0	0	114.5	S146 D147	S146-N149 PolarHBondContact O-N 3.43Å; S146-N149 VanDerWaalsContact O-N 3.1Å; D147-N149 VanDerWaalsContact C-N 3.31Å; D147-N149 PolarHBondContact O-N 2.93Å
150	I	39.8	Very low	43.2	Very low	100 Å²	100	132.6 Å²	132.6	51%	0.513	67%	0.673	S	S	.	*			trans	-103.6	6.6	-172.8	-60.2	169.8	0	0	0	113.3	S146 L152	S146-I150 WeakPolarHBondContact O-CD1 3.47Å; S146-I150 VanDerWaalsContact O-CG1 3.3Å; S146-I150 WeakPolarHBondContact O-CG1 3.39Å; S146-I150 PolarHBondContact O-N 3.03Å; I150-L152 PolarHBondContact O-N 3.23Å
151	H	32.1	Very low	42.4	Very low	168 Å²	168	132.3 Å²	132.3	78%	0.778	68%	0.676	S	S	*	*	S	Bend	trans	-69.3	9.8	174.8	-147.4	-70.1	0	0	0	114.8
152	L	34.6	Very low	41.9	Very low	159 Å²	159	134.6 Å²	134.6	83%	0.832	68%	0.684	S	S	*	*	S	Bend	trans	-127.1	68.5	174.1	-80.8	152.9	0	0	0	110	I150	I150-L152 PolarHBondContact O-N 3.23Å
153	T	39.8	Very low	41.9	Very low	122 Å²	122	133.5 Å²	133.5	75%	0.748	68%	0.681	S	S	*	*			trans	168.6	57.9	150.4	36.8	0	0	0	0	110.3	G155	T153-G155 PolarHBondContact O-N 3.47Å
154	L	37.3	Very low	41.8	Very low	174 Å²	174	136.4 Å²	136.4	91%	0.911	69%	0.691	S	S	*	*			trans	-79.8	75.7	167.7	-129.9	112.9	0	0	0	108.7
155	G	30.7	Very low	42	Very low	56 Å²	56	140.9 Å²	140.9	58%	0.577	70%	0.704	S	S	*	*	S	Bend	trans	-166.1	109.8	176.7	0	0	0	0	0	109.6	T153	T153-G155 PolarHBondContact O-N 3.47Å
156	K	37	Very low	42.3	Very low	202 Å²	202	143.5 Å²	143.5	88%	0.878	71%	0.714	S	S	*	*			trans	88.3	61.5	-179.9	-47.7	176.1	-176.6	-175.5	0	115.7
157	Q	42.5	Very low	42.6	Very low	159 Å²	159	150.5 Å²	150.5	74%	0.743	73%	0.734	S	S	*	*			trans	-105.2	-3.4	168.3	-113.4	-154.1	-0.4	0	0	115.7
158	D	41.3	Very low	43	Very low	158 Å²	158	154 Å²	154	85%	0.845	74%	0.738	S	S	*	*	S	Bend	trans	-84.3	-12.8	-174.9	-70.4	-32.6	0	0	0	114.9
159	E	42	Very low	43.2	Very low	178 Å²	178	149.3 Å²	149.3	83%	0.832	73%	0.727	S	S	*	*	S	Bend	trans	-93.4	-16.1	-177.4	-140.6	169.7	-167.9	0	0	114.1
160	Y	44.9	Very low	43.8	Very low	166 Å²	166	148.1 Å²	148.1	65%	0.651	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-8.7	-176	-91.5	-81.6	0	0	0	115.3
161	K	46.1	Very low	44.4	Very low	152 Å²	152	151 Å²	151	66%	0.661	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-20.4	-175.3	-80.2	-172	179	172.6	0	114.3
162	E	49.2	Very low	45.1	Very low	161 Å²	161	148.9 Å²	148.9	75%	0.752	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-38.4	176.5	-82	-153.4	139.1	0	0	113.3	L164 K165	E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.12Å; E162-K165 PolarHBondContact O-N 3.32Å
163	E	51	Low	45.8	Very low	127 Å²	127	146.5 Å²	146.5	59%	0.593	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-69.6	-23.8	-175.2	-70.4	-163.7	156.8	0	0	114.1	K165	E163-K165 VanDerWaalsContact C-N 3.34Å; E163-K165 PolarHBondContact O-N 3.13Å
164	L	49.6	Very low	46.3	Very low	123 Å²	123	147.3 Å²	147.3	64%	0.644	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-74.7	-21.3	179.5	-71.9	174.4	0	0	0	113.5	E162 N166 R167	E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.12Å; L164-N166 PolarHBondContact O-N 3.05Å; L164-R167 PolarHBondContact O-N 2.89Å
165	K	52.8	Low	46.8	Very low	175 Å²	175	141.3 Å²	141.3	76%	0.761	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-65.9	-24.4	177.8	-71.9	-175.5	-179	174	0	112.7	E162 E163	E162-K165 PolarHBondContact O-N 3.32Å; E163-K165 VanDerWaalsContact C-N 3.34Å; E163-K165 PolarHBondContact O-N 3.13Å
166	N	52.6	Low	47.5	Very low	144 Å²	144	144.6 Å²	144.6	77%	0.77	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-95.7	-7.8	-177.8	-68.8	-21.7	0	0	0	114.1	L164 R168	L164-N166 PolarHBondContact O-N 3.05Å; N166-R168 VanDerWaalsContact C-N 3.3Å; N166-R168 PolarHBondContact O-N 3.27Å
167	R	49.3	Very low	48.2	Very low	192 Å²	192	141.1 Å²	141.1	73%	0.725	66%	0.662	S	S	*	*			trans	-84.1	75.6	175.6	-69.6	-166.7	179.3	-152.6	1.6	110.6	L164	L164-R167 PolarHBondContact O-N 2.89Å
168	R	47.4	Very low	48.7	Very low	190 Å²	190	142.9 Å²	142.9	72%	0.717	66%	0.662	S	S	*	*			trans	-59.2	134.6	163.3	-71.6	-172.5	-179.9	-145.4	0.9	108.8	N166 V170	N166-R168 VanDerWaalsContact C-N 3.3Å; N166-R168 PolarHBondContact O-N 3.27Å; R168-V170 PolarHBondContact O-N 2.89Å
169	P	47.3	Very low	49	Very low	86 Å²	86	145.4 Å²	145.4	56%	0.558	66%	0.659	S	S	*	*			trans	-57	114.1	177.5	-22.6	31.4	0	0	0	110.4	W171 L172	P169-W171 PolarHBondContact O-N 3.34Å; P169-L172 PolarHBondContact O-N 3.22Å
170	V	52.8	Low	49.7	Very low	119 Å²	119	142.4 Å²	142.4	72%	0.721	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-22.9	-177.2	174.6	0	0	0	0	112.6	R168 L172 F173	R168-V170 PolarHBondContact O-N 2.89Å; V170-L172 VanDerWaalsContact C-N 3.33Å; V170-L172 PolarHBondContact O-N 3.46Å; V170-F173 PolarHBondContact O-N 3.02Å
171	W	51.6	Low	50.1	Low	161 Å²	161	137.8 Å²	137.8	61%	0.61	64%	0.641	S	S	*	*	H	α-helix	trans	-68.3	-23.8	178.1	-117.4	39.6	0	0	0	115.2	M19 P169	M19-W171 HydrophobicContact CB-CH2 4.13Å; M19-W171 HydrophobicContact CG-CH2 4.39Å; M19-W171 HydrophobicContact SD-CH2 4.35Å; P169-W171 PolarHBondContact O-N 3.34Å
172	L	46.8	Very low	50.5	Low	123 Å²	123	138.8 Å²	138.8	64%	0.644	65%	0.646	S	S	*	*	H	α-helix	trans	-75.4	-25.2	176.6	-70.3	172.9	0	0	0	112.4	P169 V170 K176	P169-L172 PolarHBondContact O-N 3.22Å; V170-L172 VanDerWaalsContact C-N 3.33Å; V170-L172 PolarHBondContact O-N 3.46Å; L172-K176 PolarHBondContact O-N 3.26Å; L172-K176 VanDerWaalsContact O-N 3.1Å
173	F	49.4	Very low	50.7	Low	109 Å²	109	135.6 Å²	135.6	48%	0.478	64%	0.641	S	S	.	*	H	α-helix	trans	-78.7	-40.7	-179.3	-89.9	-88.6	0	0	0	113.6	V170 A175 K176 E177	V170-F173 PolarHBondContact O-N 3.02Å; F173-A175 PolarHBondContact O-N 3.03Å; F173-K176 PolarHBondContact O-N 3.31Å; F173-K176 VanDerWaalsContact O-N 3.09Å; F173-E177 PolarHBondContact O-N 2.74Å
174	Q	50.7	Low	50.9	Low	139 Å²	139	136.9 Å²	136.9	65%	0.65	65%	0.652	S	S	*	*	H	α-helix	trans	-62.6	-27.5	174.9	-93.3	-172.5	1.5	0	0	112.9
175	A	48.2	Very low	50.8	Low	48 Å²	48	141.7 Å²	141.7	40%	0.397	67%	0.674	S	S	.	*	H	α-helix	trans	-73.7	-49.3	171	0	0	0	0	0	110.7	F173 R178 W179	F173-A175 PolarHBondContact O-N 3.03Å; A175-R178 WeakPolarHBondContact O-CB 3.4Å; A175-R178 PolarHBondContact O-N 3.05Å; A175-W179 PolarHBondContact O-N 3.46Å
176	K	44.2	Very low	50.7	Low	124 Å²	124	140.1 Å²	140.1	54%	0.539	67%	0.67	S	S	.	*	H	α-helix	trans	-62.2	-46.6	-176.2	-171.7	165.4	177.2	174.9	0	113.5	L172 F173 R178 W179 E180	L172-K176 PolarHBondContact O-N 3.26Å; L172-K176 VanDerWaalsContact O-N 3.1Å; F173-K176 PolarHBondContact O-N 3.31Å; F173-K176 VanDerWaalsContact O-N 3.09Å; K176-R178 PolarHBondContact O-N 3.28Å; K176-W179 PolarHBondContact O-N 3.12Å; K176-E180 WeakPolarHBondContact CE-OE1 3.25Å; K176-E180 IonicContact NZ-OE1 2.66Å; K176-E180 PolarHBondContact O-N 3.28Å; K176-E180 VanDerWaalsContact O-N 3.09Å
177	E	52.4	Low	50.6	Low	129 Å²	129	139.8 Å²	139.8	60%	0.603	67%	0.665	S	S	*	*	H	α-helix	trans	-60.1	-33	176.7	-73.9	-176.8	158.7	0	0	112.2	F173 W179 A181	F173-E177 PolarHBondContact O-N 2.74Å; E177-W179 VanDerWaalsContact C-N 3.34Å; E177-W179 PolarHBondContact O-N 2.88Å; E177-A181 VanDerWaalsContact O-CB 3.3Å; E177-A181 WeakPolarHBondContact O-CB 3.46Å; E177-A181 PolarHBondContact O-N 3.41Å
178	R	53.3	Low	50.7	Low	197 Å²	197	136.9 Å²	136.9	74%	0.743	66%	0.661	S	S	*	*	H	α-helix	trans	-69.4	-29.4	176.9	-107.8	-179.3	173.2	176.3	0.5	113.9	A175 K176	A175-R178 WeakPolarHBondContact O-CB 3.4Å; A175-R178 PolarHBondContact O-N 3.05Å; K176-R178 PolarHBondContact O-N 3.28Å
179	W	48.4	Very low	50.8	Low	211 Å²	211	133.8 Å²	133.8	80%	0.799	66%	0.658	S	S	*	*	H	α-helix	trans	-81.1	-40.4	177.8	-78.7	64.9	0	0	0	110.7	A175 K176 E177 K182 S183	A175-W179 PolarHBondContact O-N 3.46Å; K176-W179 PolarHBondContact O-N 3.12Å; E177-W179 VanDerWaalsContact C-N 3.34Å; E177-W179 PolarHBondContact O-N 2.88Å; W179-K182 PolarHBondContact O-N 2.69Å; W179-S183 PolarHBondContact O-N 2.99Å
180	E	55	Low	51.1	Low	114 Å²	114	136.8 Å²	136.8	53%	0.533	66%	0.664	S	S	.	*	H	α-helix	trans	-67.1	-41.4	177.1	-70.5	178.7	-171.5	0	0	112	K176 K182 S183 N184	K176-E180 WeakPolarHBondContact CE-OE1 3.25Å; K176-E180 IonicContact NZ-OE1 2.66Å; K176-E180 PolarHBondContact O-N 3.28Å; K176-E180 VanDerWaalsContact O-N 3.09Å; E180-K182 VanDerWaalsContact C-N 3.25Å; E180-K182 PolarHBondContact O-N 3.37Å; E180-S183 PolarHBondContact O-N 3.22Å; E180-N184 PolarHBondContact O-N 3.05Å
181	A	54.5	Low	51	Low	69 Å²	69	138 Å²	138	57%	0.57	66%	0.661	S	S	*	*	H	α-helix	trans	-67.4	-22.9	177	0	0	0	0	0	114	E177	E177-A181 VanDerWaalsContact O-CB 3.3Å; E177-A181 WeakPolarHBondContact O-CB 3.46Å; E177-A181 PolarHBondContact O-N 3.41Å
182	K	54.2	Low	50.9	Low	173 Å²	173	136.4 Å²	136.4	75%	0.752	66%	0.664	S	S	*	*	H	α-helix	trans	-85.4	-19.6	174.8	-91.9	-176.1	170.3	-169.6	0	113.7	W179 E180	W179-K182 PolarHBondContact O-N 2.69Å; E180-K182 VanDerWaalsContact C-N 3.25Å; E180-K182 PolarHBondContact O-N 3.37Å
183	S	52.4	Low	51.2	Low	94 Å²	94	137.4 Å²	137.4	66%	0.657	67%	0.666	S	S	*	*	H	α-helix	trans	-84.3	-19.7	178.9	178.6	0	0	0	0	112.9	W179 E180	W179-S183 PolarHBondContact O-N 2.99Å; E180-S183 PolarHBondContact O-N 3.22Å
184	N	55.2	Low	51.4	Low	155 Å²	155	139.8 Å²	139.8	83%	0.829	68%	0.681	S	S	*	*			trans	-100.5	13.7	178.8	-93.7	4.1	0	0	0	113.5	E180	E180-N184 PolarHBondContact O-N 3.05Å
185	M	48.1	Very low	51.4	Low	224 Å²	224	139.8 Å²	139.8	100%	1.103	68%	0.684	S	S	*	*			trans	-114.4	0	165.9	-73.4	-155.2	75.3	0	0	109.4

Retrieved 185 of 185 residues in 176.2 ms (Link to these results)

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