A0A096NP89_PAPAN Loading...

Serum amyloid A protein

Major acute phase reactant. Apolipoprotein of the HDL complex.

AlphaFold DB , UniProt , Accession A0A096NP89, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 122 aa.

						>A0A096NP89_PAPAN|A0A096NP89
MKLLTGLVFCSLVLGVSSRGWFSFLGEAYDGARDMWRAYSDMREANYINSDKYFHARGNYDAAQRGPGGAWAAEVISDARENIQKLLGRGAEDTLADQAANEWGRSGKDPNHFRPAGLPEKY
					

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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	60.7	Low	67.4	Low	203 Å²	203	118.3 Å²	118.3	100%	1	64%	0.639	S	S	*	*				0	-54.9	0	-61.8	-171.7	77.3	0	0	112.5	L3 L4 T5	M1-L3 PolarHBondContact O-N 3.13Å; M1-L4 PolarHBondContact O-N 3.18Å; M1-T5 PolarHBondContact O-N 3.27Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 2.81Å
2	K	56.6	Low	67.3	Low	195 Å²	195	117.1 Å²	117.1	85%	0.848	63%	0.631	S	S	*	*	H	α-helix	trans	-55.8	-39.6	-177.1	-62	-179.6	179	178.1	0	115.9	G6	K2-G6 PolarHBondContact O-N 3.38Å; K2-G6 VanDerWaalsContact O-N 3.09Å
3	L	62.6	Low	66.9	Low	147 Å²	147	113.8 Å²	113.8	77%	0.77	62%	0.617	S	S	*	*	H	α-helix	trans	-67.7	-40.2	177.2	-92.7	154.4	0	0	0	113.4	M1 G6 L7	M1-L3 PolarHBondContact O-N 3.13Å; L3-G6 PolarHBondContact O-N 3.01Å; L3-L7 PolarHBondContact O-N 2.98Å
4	L	69.6	Low	66.4	Low	131 Å²	131	114.3 Å²	114.3	69%	0.686	62%	0.618	S	S	*	*	H	α-helix	trans	-67.8	-41	178.8	-152.5	92.3	0	0	0	110.4	M1 L7 V8	M1-L4 PolarHBondContact O-N 3.18Å; L4-L7 PolarHBondContact O-N 2.9Å; L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.42Å; L4-V8 PolarHBondContact O-N 3.09Å
5	T	71.6	Confident	66.1	Low	94 Å²	94	109.1 Å²	109.1	58%	0.577	60%	0.602	S	S	*	*	H	α-helix	trans	-63.1	-41.5	175.6	-37.9	0	0	0	0	111.6	M1 V8 F9	M1-T5 PolarHBondContact O-N 3.27Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 2.81Å; T5-V8 PolarHBondContact O-N 2.76Å; T5-F9 WeakPolarHBondContact O-CB 3.31Å; T5-F9 PolarHBondContact O-N 2.91Å
6	G	71.1	Confident	65.7	Low	38 Å²	38	108.9 Å²	108.9	39%	0.392	61%	0.605	S	S	.	*	H	α-helix	trans	-65.3	-40.7	175.7	0	0	0	0	0	113.5	K2 L3 F9 C10	K2-G6 PolarHBondContact O-N 3.38Å; K2-G6 VanDerWaalsContact O-N 3.09Å; L3-G6 PolarHBondContact O-N 3.01Å; G6-F9 PolarHBondContact O-N 3.34Å; G6-C10 WeakPolarHBondContact O-CB 3.45Å; G6-C10 PolarHBondContact O-N 3.48Å
7	L	72.1	Confident	65.6	Low	118 Å²	118	106.9 Å²	106.9	62%	0.618	60%	0.6	S	S	*	*	H	α-helix	trans	-65.5	-40.9	175.8	-93.2	157	0	0	0	112.7	L3 L4 S11	L3-L7 PolarHBondContact O-N 2.98Å; L4-L7 PolarHBondContact O-N 2.9Å; L7-S11 WeakPolarHBondContact O-CB 3.38Å; L7-S11 PolarHBondContact O-N 3.48Å; L7-S11 PolarHBondContact O-OG 3.34Å
8	V	74.9	Confident	65.7	Low	78 Å²	78	103.7 Å²	103.7	47%	0.473	59%	0.586	S	S	.	*	H	α-helix	trans	-64.2	-41.9	174.1	172.7	0	0	0	0	110.6	L4 T5 S11 L12	L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.42Å; L4-V8 PolarHBondContact O-N 3.09Å; T5-V8 PolarHBondContact O-N 2.76Å; V8-S11 WeakPolarHBondContact CA-OG 3.23Å; V8-S11 PolarHBondContact O-N 2.94Å; V8-S11 PolarHBondContact O-OG 3Å; V8-L12 HydrophobicContact CG1-CD1 3.95Å; V8-L12 WeakPolarHBondContact O-CB 3.38Å; V8-L12 VanDerWaalsContact O-CG 3.23Å; V8-L12 WeakPolarHBondContact O-CG 3.33Å; V8-L12 PolarHBondContact O-N 3.5Å
9	F	68.9	Low	66.3	Low	149 Å²	149	109.2 Å²	109.2	65%	0.654	60%	0.596	S	S	*	*	H	α-helix	trans	-67.7	-43.8	178.2	-150.7	-93.9	0	0	0	112.3	T5 G6 S11 L12 V13	T5-F9 WeakPolarHBondContact O-CB 3.31Å; T5-F9 PolarHBondContact O-N 2.91Å; G6-F9 PolarHBondContact O-N 3.34Å; F9-S11 PolarHBondContact O-N 3Å; F9-L12 PolarHBondContact O-N 3.01Å; F9-V13 HydrophobicContact CD1-CG2 4.14Å; F9-V13 HydrophobicContact CE1-CG2 4.17Å; F9-V13 WeakPolarHBondContact O-CG2 3.37Å; F9-V13 PolarHBondContact O-N 2.97Å
10	C	67.4	Low	67.2	Low	78 Å²	78	106 Å²	106	53%	0.527	59%	0.589	S	S	.	*	H	α-helix	trans	-61.3	-42.3	174.6	-94.3	0	0	0	0	112.6	G6 V13 L14	G6-C10 WeakPolarHBondContact O-CB 3.45Å; G6-C10 PolarHBondContact O-N 3.48Å; C10-V13 PolarHBondContact O-N 3.18Å; C10-L14 WeakPolarHBondContact O-CB 3.44Å; C10-L14 VanDerWaalsContact O-CG 3.26Å; C10-L14 WeakPolarHBondContact O-CG 3.38Å; C10-L14 PolarHBondContact O-N 3Å
11	S	65.7	Low	68.2	Low	70 Å²	70	108.8 Å²	108.8	49%	0.49	59%	0.591	S	S	.	*	H	α-helix	trans	-69.4	-33.2	178.3	50.8	0	0	0	0	112.8	L7 V8 F9 G15	L7-S11 WeakPolarHBondContact O-CB 3.38Å; L7-S11 PolarHBondContact O-N 3.48Å; L7-S11 PolarHBondContact O-OG 3.34Å; V8-S11 WeakPolarHBondContact CA-OG 3.23Å; V8-S11 PolarHBondContact O-N 2.94Å; V8-S11 PolarHBondContact O-OG 3Å; F9-S11 PolarHBondContact O-N 3Å; S11-G15 WeakPolarHBondContact O-CA 3.22Å; S11-G15 PolarHBondContact O-N 2.87Å
12	L	66.1	Low	69.7	Low	104 Å²	104	106 Å²	106	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-67.2	-44.1	171.6	-73.1	168	0	0	0	111.8	V8 F9 G15 V16	V8-L12 HydrophobicContact CG1-CD1 3.95Å; V8-L12 WeakPolarHBondContact O-CB 3.38Å; V8-L12 VanDerWaalsContact O-CG 3.23Å; V8-L12 WeakPolarHBondContact O-CG 3.33Å; V8-L12 PolarHBondContact O-N 3.5Å; F9-L12 PolarHBondContact O-N 3.01Å; L12-G15 PolarHBondContact O-N 3.44Å; L12-V16 WeakPolarHBondContact O-CB 3.45Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 3.4Å
13	V	61.9	Low	71.5	Confident	74 Å²	74	99.7 Å²	99.7	45%	0.448	55%	0.554	S	S	.	*	H	α-helix	trans	-62.2	-50.7	176.3	172.3	0	0	0	0	110.6	F9 C10 G15 V16 S17	F9-V13 HydrophobicContact CD1-CG2 4.14Å; F9-V13 HydrophobicContact CE1-CG2 4.17Å; F9-V13 WeakPolarHBondContact O-CG2 3.37Å; F9-V13 PolarHBondContact O-N 2.97Å; C10-V13 PolarHBondContact O-N 3.18Å; V13-G15 PolarHBondContact O-N 3.44Å; V13-V16 PolarHBondContact O-N 2.92Å; V13-S17 WeakPolarHBondContact O-CB 3.42Å; V13-S17 PolarHBondContact O-N 2.92Å; V13-S17 PolarHBondContact O-OG 3.47Å
14	L	61.1	Low	73.1	Confident	121 Å²	121	95.6 Å²	95.6	63%	0.634	53%	0.53	S	S	*	.	H	α-helix	trans	-66.1	-35	178.5	-67	172.7	0	0	0	113	C10 S18	C10-L14 WeakPolarHBondContact O-CB 3.44Å; C10-L14 VanDerWaalsContact O-CG 3.26Å; C10-L14 WeakPolarHBondContact O-CG 3.38Å; C10-L14 PolarHBondContact O-N 3Å; L14-S18 WeakPolarHBondContact O-CB 3.38Å; L14-S18 PolarHBondContact O-N 2.87Å; L14-S18 PolarHBondContact O-OG 2.91Å
15	G	60.9	Low	74.3	Confident	36 Å²	36	93.2 Å²	93.2	37%	0.371	52%	0.518	S	S	.	.	H	α-helix	trans	-67.3	-40.2	175.6	0	0	0	0	0	112.9	S11 L12 V13 S18 R19	S11-G15 WeakPolarHBondContact O-CA 3.22Å; S11-G15 PolarHBondContact O-N 2.87Å; L12-G15 PolarHBondContact O-N 3.44Å; V13-G15 PolarHBondContact O-N 3.44Å; G15-S18 WeakPolarHBondContact CA-OG 3.26Å; G15-S18 PolarHBondContact O-OG 2.93Å; G15-R19 PolarHBondContact O-N 3.41Å
16	V	60.2	Low	75.6	Confident	107 Å²	107	90.4 Å²	90.4	65%	0.648	51%	0.507	S	S	*	.	H	α-helix	trans	-69.5	-42.2	174.1	171.3	0	0	0	0	110.8	L12 V13 S18 R19 G20	L12-V16 WeakPolarHBondContact O-CB 3.45Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 3.4Å; V13-V16 PolarHBondContact O-N 2.92Å; V16-S18 PolarHBondContact O-N 3.36Å; V16-R19 PolarHBondContact O-N 3.21Å; V16-G20 PolarHBondContact O-N 2.86Å; V16-G20 VanDerWaalsContact O-N 3.14Å
17	S	64.1	Low	76.9	Confident	75 Å²	75	90.3 Å²	90.3	52%	0.524	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-39.7	176.4	-61.5	0	0	0	0	113	V13 W21	V13-S17 WeakPolarHBondContact O-CB 3.42Å; V13-S17 PolarHBondContact O-N 2.92Å; V13-S17 PolarHBondContact O-OG 3.47Å; S17-W21 PolarHBondContact O-N 3.29Å; S17-W21 VanDerWaalsContact O-N 3.16Å
18	S	67.9	Low	78.2	Confident	49 Å²	49	85.1 Å²	85.1	34%	0.343	47%	0.471	S	S	.	.	H	α-helix	trans	-71.1	-40.5	178.6	51.4	0	0	0	0	112.6	L14 G15 V16 G20 W21 F22	L14-S18 WeakPolarHBondContact O-CB 3.38Å; L14-S18 PolarHBondContact O-N 2.87Å; L14-S18 PolarHBondContact O-OG 2.91Å; G15-S18 WeakPolarHBondContact CA-OG 3.26Å; G15-S18 PolarHBondContact O-OG 2.93Å; V16-S18 PolarHBondContact O-N 3.36Å; S18-G20 PolarHBondContact O-N 3.04Å; S18-W21 PolarHBondContact O-N 3.02Å; S18-F22 WeakPolarHBondContact O-CD2 3.49Å; S18-F22 PolarHBondContact O-N 2.68Å
19	R	75.8	Confident	79.3	Confident	208 Å²	208	88.6 Å²	88.6	79%	0.785	48%	0.477	S	S	*	.	H	α-helix	trans	-63.8	-40.1	176.4	-168.9	173.6	-176.8	141.1	0.2	112.5	G15 V16 S23	G15-R19 PolarHBondContact O-N 3.41Å; V16-R19 PolarHBondContact O-N 3.21Å; R19-S23 PolarHBondContact O-N 3.39Å
20	G	85.3	Confident	80.7	Confident	44 Å²	44	83.8 Å²	83.8	45%	0.454	46%	0.458	S	S	.	.	H	α-helix	trans	-62.9	-42.2	174.4	0	0	0	0	0	112.3	V16 S18 S23 F24	V16-G20 PolarHBondContact O-N 2.86Å; V16-G20 VanDerWaalsContact O-N 3.14Å; S18-G20 PolarHBondContact O-N 3.04Å; G20-S23 PolarHBondContact O-N 3.38Å; G20-F24 PolarHBondContact O-N 3.16Å
21	W	87.3	Confident	82.2	Confident	166 Å²	166	80.1 Å²	80.1	63%	0.629	43%	0.433	S	S	*	.	H	α-helix	trans	-64.8	-44.2	177.5	-171.3	-96.8	0	0	0	112.9	S17 S18 S23 F24 L25	S17-W21 PolarHBondContact O-N 3.29Å; S17-W21 VanDerWaalsContact O-N 3.16Å; S18-W21 PolarHBondContact O-N 3.02Å; W21-S23 VanDerWaalsContact C-N 3.35Å; W21-S23 PolarHBondContact O-N 3.03Å; W21-F24 PolarHBondContact O-N 3.14Å; W21-L25 WeakPolarHBondContact O-CG 3.36Å; W21-L25 PolarHBondContact O-N 3.48Å
22	F	92.1	Very high	83.8	Confident	144 Å²	144	78.5 Å²	78.5	63%	0.632	42%	0.424	S	S	*	.	H	α-helix	trans	-65.4	-37	176	-70.7	-59	0	0	0	112.5	S18 G26	S18-F22 WeakPolarHBondContact O-CD2 3.49Å; S18-F22 PolarHBondContact O-N 2.68Å; F22-G26 PolarHBondContact O-N 2.99Å
23	S	94.9	Very high	85.3	Confident	62 Å²	62	80.2 Å²	80.2	43%	0.434	42%	0.423	S	S	.	.	H	α-helix	trans	-59.9	-53.8	172.9	-163.1	0	0	0	0	110.4	R19 G20 W21 L25 G26 E27	R19-S23 PolarHBondContact O-N 3.39Å; G20-S23 PolarHBondContact O-N 3.38Å; W21-S23 VanDerWaalsContact C-N 3.35Å; W21-S23 PolarHBondContact O-N 3.03Å; S23-L25 VanDerWaalsContact C-N 3.32Å; S23-L25 PolarHBondContact O-N 3.5Å; S23-G26 WeakPolarHBondContact O-CA 3.19Å; S23-G26 PolarHBondContact O-N 2.96Å; S23-E27 WeakPolarHBondContact O-CG 2.99Å; S23-E27 PolarHBondContact O-N 3.28Å; S23-E27 PolarHBondContact OG-OE1 2.76Å
24	F	95.9	Very high	87.1	Confident	62 Å²	62	76.9 Å²	76.9	27%	0.272	40%	0.403	S	S	.	.	H	α-helix	trans	-55.6	-44.9	-179.8	179.9	-89.7	0	0	0	112.6	G20 W21 E27 A28 W71	G20-F24 PolarHBondContact O-N 3.16Å; W21-F24 PolarHBondContact O-N 3.14Å; F24-E27 PolarHBondContact O-N 3.48Å; F24-A28 WeakPolarHBondContact O-CB 3.3Å; F24-A28 PolarHBondContact O-N 2.8Å; F24-W71 HydrophobicContact CE1-CD2 4.5Å; F24-W71 HydrophobicContact CE1-CE3 4.32Å; F24-W71 HydrophobicContact CE2-CB 4.36Å; F24-W71 HydrophobicContact CZ-CB 4.06Å; F24-W71 AromaticContact CZ-CD2 3.98Å; F24-W71 HydrophobicContact CZ-CD2 3.98Å; F24-W71 HydrophobicContact CZ-CE3 4.14Å; F24-W71 AromaticContact CZ-CG 3.94Å; F24-W71 HydrophobicContact CZ-CG 3.94Å
25	L	95.9	Very high	88.9	Confident	81 Å²	81	72.3 Å²	72.3	42%	0.424	38%	0.378	S	S	.	.	H	α-helix	trans	-65.3	-39	177.4	-71	-179.9	0	0	0	112.6	W21 S23 A28 Y29	W21-L25 WeakPolarHBondContact O-CG 3.36Å; W21-L25 PolarHBondContact O-N 3.48Å; S23-L25 VanDerWaalsContact C-N 3.32Å; S23-L25 PolarHBondContact O-N 3.5Å; L25-A28 PolarHBondContact O-N 3.49Å; L25-Y29 WeakPolarHBondContact O-CB 3.35Å; L25-Y29 PolarHBondContact O-N 2.95Å
26	G	97.8	Very high	90.7	Very high	35 Å²	35	79 Å²	79	36%	0.361	39%	0.392	S	S	.	.	H	α-helix	trans	-62.9	-46.5	174.5	0	0	0	0	0	111.9	F22 S23 A28 Y29 D30	F22-G26 PolarHBondContact O-N 2.99Å; S23-G26 WeakPolarHBondContact O-CA 3.19Å; S23-G26 PolarHBondContact O-N 2.96Å; G26-A28 PolarHBondContact O-N 2.86Å; G26-Y29 PolarHBondContact O-N 3.45Å; G26-D30 PolarHBondContact O-N 3.28Å
27	E	98.6	Very high	92.5	Very high	35 Å²	35	78.8 Å²	78.8	16%	0.164	38%	0.38	C	S	.	.	H	α-helix	trans	-60.4	-43.5	176.2	-63.6	161.1	-156.5	0	0	111.6	S23 F24 D30 G31 R65 P67 G68 G69	S23-E27 WeakPolarHBondContact O-CG 2.99Å; S23-E27 PolarHBondContact O-N 3.28Å; S23-E27 PolarHBondContact OG-OE1 2.76Å; F24-E27 PolarHBondContact O-N 3.48Å; E27-D30 PolarHBondContact O-N 2.83Å; E27-G31 PolarHBondContact O-N 3.48Å; E27-R65 HydrophobicContact CB-CB 4.36Å; E27-R65 WeakPolarHBondContact CG-O 3.44Å; E27-P67 VanDerWaalsContact OE2-CD 3.31Å; E27-P67 WeakPolarHBondContact OE2-CD 3.49Å; E27-G68 PolarHBondContact OE2-N 3.43Å; E27-G69 WeakPolarHBondContact O-CA 3.41Å; E27-G69 PolarHBondContact O-N 3.32Å
28	A	98.4	Very high	94.2	Very high	10 Å²	10	75.4 Å²	75.4	8%	0.083	36%	0.357	C	S	.	.	H	α-helix	trans	-65.6	-41.1	177.8	0	0	0	0	0	112.4	F24 L25 G26 G31 A32 G68 W71 A72	F24-A28 WeakPolarHBondContact O-CB 3.3Å; F24-A28 PolarHBondContact O-N 2.8Å; L25-A28 PolarHBondContact O-N 3.49Å; G26-A28 PolarHBondContact O-N 2.86Å; A28-G31 PolarHBondContact O-N 2.97Å; A28-A32 WeakPolarHBondContact O-CB 3.36Å; A28-A32 PolarHBondContact O-N 3.46Å; A28-G68 VanDerWaalsContact CA-C 3.49Å; A28-G68 VanDerWaalsContact CA-O 3.27Å; A28-G68 WeakPolarHBondContact CA-O 3.43Å; A28-G68 WeakPolarHBondContact CB-O 3.35Å; A28-W71 HydrophobicContact CB-CE3 3.92Å; A28-W71 HydrophobicContact CB-CZ3 4Å; A28-A72 HydrophobicContact CB-CB 4.31Å; A28-A72 WeakPolarHBondContact O-CB 3.4Å
29	Y	98.3	Very high	95.6	Very high	151 Å²	151	78.2 Å²	78.2	59%	0.592	36%	0.36	S	S	*	.	H	α-helix	trans	-62.6	-48.2	175.3	174.8	-99.1	0	0	0	111.7	L25 G26 A32 R33	L25-Y29 WeakPolarHBondContact O-CB 3.35Å; L25-Y29 PolarHBondContact O-N 2.95Å; G26-Y29 PolarHBondContact O-N 3.45Å; Y29-A32 PolarHBondContact O-N 2.69Å; Y29-R33 HydrophobicContact CE1-CG 4.29Å; Y29-R33 WeakPolarHBondContact O-CG 3.41Å; Y29-R33 PolarHBondContact O-N 3.47Å
30	D	98.8	Very high	96.7	Very high	48 Å²	48	70.2 Å²	70.2	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-65.8	-39.4	177.7	-85.4	-14.1	0	0	0	112	G26 E27 A32 R33 D34 R65	G26-D30 PolarHBondContact O-N 3.28Å; E27-D30 PolarHBondContact O-N 2.83Å; D30-A32 PolarHBondContact O-N 3.47Å; D30-R33 WeakPolarHBondContact O-CB 3.22Å; D30-R33 PolarHBondContact O-N 3.48Å; D30-R33 VanDerWaalsContact O-N 3.15Å; D30-R33 IonicContact OD1-NH1 2.95Å; D30-R33 PolarHBondContact OD1-NH1 3.01Å; D30-D34 PolarHBondContact O-N 3.21Å; D30-R65 HydrophobicContact CB-CG 4.1Å; D30-R65 IonicContact OD2-NH1 4Å; D30-R65 PolarHBondContact OD2-NH1 3.48Å
31	G	98.8	Very high	97.3	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-41	174.6	0	0	0	0	0	112.6	E27 A28 R33 D34 M35	E27-G31 PolarHBondContact O-N 3.48Å; A28-G31 PolarHBondContact O-N 2.97Å; G31-R33 VanDerWaalsContact C-N 3.3Å; G31-R33 PolarHBondContact O-N 2.89Å; G31-D34 PolarHBondContact O-N 3.08Å; G31-M35 WeakPolarHBondContact O-CG 3.41Å; G31-M35 PolarHBondContact O-N 3Å
32	A	98.8	Very high	97.8	Very high	36 Å²	36	63 Å²	63	30%	0.298	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-37	173.1	0	0	0	0	0	112.5	A28 Y29 D30 M35 W36 I76	A28-A32 WeakPolarHBondContact O-CB 3.36Å; A28-A32 PolarHBondContact O-N 3.46Å; Y29-A32 PolarHBondContact O-N 2.69Å; D30-A32 PolarHBondContact O-N 3.47Å; A32-M35 PolarHBondContact O-N 3.32Å; A32-W36 PolarHBondContact O-N 2.96Å; A32-I76 HydrophobicContact CB-CD1 3.83Å
33	R	98.8	Very high	98.1	Very high	141 Å²	141	62.9 Å²	62.9	53%	0.532	29%	0.294	S	S	.	.	H	α-helix	trans	-65.7	-39.1	173.6	-71.4	177.4	64.2	-153.3	4.3	112.3	Y29 D30 G31 W36 R37	Y29-R33 HydrophobicContact CE1-CG 4.29Å; Y29-R33 WeakPolarHBondContact O-CG 3.41Å; Y29-R33 PolarHBondContact O-N 3.47Å; D30-R33 WeakPolarHBondContact O-CB 3.22Å; D30-R33 PolarHBondContact O-N 3.48Å; D30-R33 VanDerWaalsContact O-N 3.15Å; D30-R33 IonicContact OD1-NH1 2.95Å; D30-R33 PolarHBondContact OD1-NH1 3.01Å; G31-R33 VanDerWaalsContact C-N 3.3Å; G31-R33 PolarHBondContact O-N 2.89Å; R33-W36 PolarHBondContact O-N 3.4Å; R33-R37 WeakPolarHBondContact O-CB 3.31Å; R33-R37 PolarHBondContact O-N 3.02Å
34	D	98.9	Very high	98.3	Very high	4 Å²	4	65.4 Å²	65.4	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-42.2	175.5	-70.2	-38.5	0	0	0	111.6	D30 G31 W36 R37 A38 D61 A62 R65	D30-D34 PolarHBondContact O-N 3.21Å; G31-D34 PolarHBondContact O-N 3.08Å; D34-W36 VanDerWaalsContact C-N 3.35Å; D34-W36 PolarHBondContact O-N 3.37Å; D34-R37 WeakPolarHBondContact O-CB 3.47Å; D34-R37 PolarHBondContact O-N 3.17Å; D34-R37 IonicContact OD1-CZ 3.74Å; D34-R37 VanDerWaalsContact OD1-CZ 3.3Å; D34-R37 IonicContact OD1-NH1 2.8Å; D34-R37 PolarHBondContact OD1-NH1 3.18Å; D34-R37 IonicContact OD1-NH2 2.76Å; D34-R37 PolarHBondContact OD1-NH2 3.37Å; D34-A38 PolarHBondContact O-N 3.01Å; D34-D61 HydrophobicContact CB-CB 3.76Å; D34-A62 HydrophobicContact CB-CB 4.31Å; D34-R65 VanDerWaalsContact CG-NH2 3.3Å; D34-R65 IonicContact OD1-CZ 2.95Å; D34-R65 IonicContact OD1-NH2 3.49Å; D34-R65 PolarHBondContact OD1-NH2 2.72Å; D34-R65 IonicContact OD2-CZ 3.87Å; D34-R65 IonicContact OD2-NE 3.45Å; D34-R65 PolarHBondContact OD2-NE 3.38Å; D34-R65 IonicContact OD2-NH2 2.86Å; D34-R65 PolarHBondContact OD2-NH2 3.41Å
35	M	98.8	Very high	98.4	Very high	24 Å²	24	63.3 Å²	63.3	12%	0.118	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-44.1	173.8	-68.5	-65.3	-76.1	0	0	111.7	G31 A32 A38 Y39 A62 A73 I76 S77	G31-M35 WeakPolarHBondContact O-CG 3.41Å; G31-M35 PolarHBondContact O-N 3Å; A32-M35 PolarHBondContact O-N 3.32Å; M35-A38 PolarHBondContact O-N 3.23Å; M35-Y39 PolarHBondContact O-N 2.94Å; M35-A62 HydrophobicContact CG-CB 4.21Å; M35-A62 HydrophobicContact SD-CB 4.45Å; M35-A73 HydrophobicContact CG-CB 4.37Å; M35-A73 HydrophobicContact SD-CB 3.98Å; M35-I76 HydrophobicContact CB-CD1 4.02Å; M35-I76 HydrophobicContact CB-CG2 4.26Å; M35-I76 HydrophobicContact CE-CB 4.13Å; M35-I76 HydrophobicContact CE-CG2 3.9Å; M35-I76 HydrophobicContact CG-CD1 4.13Å; M35-S77 WeakPolarHBondContact CE-OG 3.23Å
36	W	98.6	Very high	98.5	Very high	176 Å²	176	65.3 Å²	65.3	67%	0.667	31%	0.305	S	S	*	.	H	α-helix	trans	-64.4	-40.4	175.4	-180	-94.8	0	0	0	112.7	A32 R33 D34 Y39 S40	A32-W36 PolarHBondContact O-N 2.96Å; R33-W36 PolarHBondContact O-N 3.4Å; D34-W36 VanDerWaalsContact C-N 3.35Å; D34-W36 PolarHBondContact O-N 3.37Å; W36-Y39 HydrophobicContact CE3-CD1 4.38Å; W36-Y39 HydrophobicContact CH2-CE1 4.45Å; W36-Y39 HydrophobicContact CZ3-CD1 4.27Å; W36-Y39 HydrophobicContact CZ3-CE1 4.44Å; W36-Y39 PolarHBondContact O-N 2.61Å; W36-S40 PolarHBondContact NE1-OG 2.97Å; W36-S40 WeakPolarHBondContact O-CB 3.45Å; W36-S40 PolarHBondContact O-N 2.96Å; W36-S40 PolarHBondContact O-OG 2.91Å
37	R	98.8	Very high	98.5	Very high	104 Å²	104	67.9 Å²	67.9	39%	0.392	30%	0.304	S	S	.	.	H	α-helix	trans	-60.3	-47.1	174.7	-179.8	178.7	65.7	-148.7	-8.1	110.6	R33 D34 Y39 S40 D41 D61	R33-R37 WeakPolarHBondContact O-CB 3.31Å; R33-R37 PolarHBondContact O-N 3.02Å; D34-R37 WeakPolarHBondContact O-CB 3.47Å; D34-R37 PolarHBondContact O-N 3.17Å; D34-R37 IonicContact OD1-CZ 3.74Å; D34-R37 VanDerWaalsContact OD1-CZ 3.3Å; D34-R37 IonicContact OD1-NH1 2.8Å; D34-R37 PolarHBondContact OD1-NH1 3.18Å; D34-R37 IonicContact OD1-NH2 2.76Å; D34-R37 PolarHBondContact OD1-NH2 3.37Å; R37-Y39 VanDerWaalsContact C-N 3.33Å; R37-Y39 PolarHBondContact O-N 3.36Å; R37-S40 PolarHBondContact O-N 2.82Å; R37-S40 VanDerWaalsContact O-N 3.13Å; R37-D41 WeakPolarHBondContact O-CB 3.44Å; R37-D41 PolarHBondContact O-N 2.64Å; R37-D61 IonicContact CZ-OD2 3.21Å; R37-D61 IonicContact NE-OD2 3.07Å; R37-D61 IonicContact NH2-OD2 3.3Å; R37-D61 PolarHBondContact NH2-OD2 3.06Å
38	A	98.7	Very high	98.4	Very high	4 Å²	4	72.7 Å²	72.7	3%	0.033	33%	0.33	C	S	.	.	H	α-helix	trans	-60.7	-40.6	177.9	0	0	0	0	0	113.3	D34 M35 M42 G58	D34-A38 PolarHBondContact O-N 3.01Å; M35-A38 PolarHBondContact O-N 3.23Å; A38-M42 VanDerWaalsContact O-CB 3.32Å; A38-M42 WeakPolarHBondContact O-CB 3.41Å; A38-M42 PolarHBondContact O-N 3.07Å; A38-G58 VanDerWaalsContact CB-CA 3.42Å
39	Y	97.8	Very high	98.3	Very high	107 Å²	107	78.2 Å²	78.2	42%	0.42	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-44.1	172	170.9	-102.2	0	0	0	112.5	M35 W36 R37 M42 R43	M35-Y39 PolarHBondContact O-N 2.94Å; W36-Y39 HydrophobicContact CE3-CD1 4.38Å; W36-Y39 HydrophobicContact CH2-CE1 4.45Å; W36-Y39 HydrophobicContact CZ3-CD1 4.27Å; W36-Y39 HydrophobicContact CZ3-CE1 4.44Å; W36-Y39 PolarHBondContact O-N 2.61Å; R37-Y39 VanDerWaalsContact C-N 3.33Å; R37-Y39 PolarHBondContact O-N 3.36Å; Y39-M42 HydrophobicContact CD2-CE 3.69Å; Y39-M42 HydrophobicContact CE2-CE 3.97Å; Y39-M42 WeakPolarHBondContact O-CB 3.39Å; Y39-M42 PolarHBondContact O-N 2.67Å; Y39-R43 HydrophobicContact CD2-CG 4.36Å; Y39-R43 HydrophobicContact CE1-CG 4.11Å; Y39-R43 HydrophobicContact CE2-CG 3.89Å; Y39-R43 VanDerWaalsContact O-CG 3.25Å; Y39-R43 WeakPolarHBondContact O-CG 3.48Å; Y39-R43 PolarHBondContact O-N 3.21Å
40	S	98.4	Very high	98.2	Very high	41 Å²	41	71.1 Å²	71.1	29%	0.287	33%	0.331	S	S	.	.	H	α-helix	trans	-64.1	-46.1	-179.6	-58.4	0	0	0	0	111.3	W36 R37 M42 R43 E44	W36-S40 PolarHBondContact NE1-OG 2.97Å; W36-S40 WeakPolarHBondContact O-CB 3.45Å; W36-S40 PolarHBondContact O-N 2.96Å; W36-S40 PolarHBondContact O-OG 2.91Å; R37-S40 PolarHBondContact O-N 2.82Å; R37-S40 VanDerWaalsContact O-N 3.13Å; S40-M42 PolarHBondContact O-N 2.67Å; S40-R43 WeakPolarHBondContact O-CB 3.49Å; S40-R43 PolarHBondContact O-N 3.22Å; S40-R43 VanDerWaalsContact O-N 3.13Å; S40-E44 WeakPolarHBondContact O-CB 3.48Å; S40-E44 PolarHBondContact O-N 2.97Å
41	D	98.8	Very high	98.1	Very high	29 Å²	29	71 Å²	71	16%	0.155	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-39.9	177.3	-72.5	6	0	0	0	111.7	R37 R43 E44 A45 F54 R57 Y122	R37-D41 WeakPolarHBondContact O-CB 3.44Å; R37-D41 PolarHBondContact O-N 2.64Å; D41-R43 PolarHBondContact O-N 2.82Å; D41-E44 PolarHBondContact O-N 2.94Å; D41-A45 WeakPolarHBondContact O-CB 3.34Å; D41-A45 PolarHBondContact O-N 2.87Å; D41-F54 HydrophobicContact CB-CD1 4.14Å; D41-F54 HydrophobicContact CB-CE1 3.6Å; D41-F54 HydrophobicContact CB-CZ 4.36Å; D41-R57 VanDerWaalsContact CB-NH2 3.31Å; D41-R57 IonicContact OD2-CZ 2.69Å; D41-R57 IonicContact OD2-NH1 2.61Å; D41-R57 PolarHBondContact OD2-NH1 2.93Å; D41-R57 VanDerWaalsContact OD2-NH1 3.07Å; D41-R57 IonicContact OD2-NH2 3.33Å; D41-R57 PolarHBondContact OD2-NH2 3.34Å; D41-Y122 HydrophobicContact CB-CD1 3.72Å; D41-Y122 HydrophobicContact CB-CE1 3.89Å
42	M	98.3	Very high	98.1	Very high	30 Å²	30	72.7 Å²	72.7	15%	0.148	34%	0.337	C	S	.	.	H	α-helix	trans	-57.6	-41.1	172.6	-178.1	-170.3	67.3	0	0	111.4	A38 Y39 S40 N46 F54	A38-M42 VanDerWaalsContact O-CB 3.32Å; A38-M42 WeakPolarHBondContact O-CB 3.41Å; A38-M42 PolarHBondContact O-N 3.07Å; Y39-M42 HydrophobicContact CD2-CE 3.69Å; Y39-M42 HydrophobicContact CE2-CE 3.97Å; Y39-M42 WeakPolarHBondContact O-CB 3.39Å; Y39-M42 PolarHBondContact O-N 2.67Å; S40-M42 PolarHBondContact O-N 2.67Å; M42-N46 PolarHBondContact O-N 3.07Å; M42-F54 HydrophobicContact CB-CB 3.79Å; M42-F54 HydrophobicContact CB-CD1 4.17Å; M42-F54 HydrophobicContact CB-CD2 3.48Å; M42-F54 VanDerWaalsContact CB-CD2 3.48Å; M42-F54 HydrophobicContact CB-CE2 4.08Å; M42-F54 HydrophobicContact CB-CG 3.54Å; M42-F54 HydrophobicContact CG-CB 4.16Å; M42-F54 HydrophobicContact CG-CD2 3.65Å; M42-F54 HydrophobicContact CG-CE2 4.36Å; M42-F54 HydrophobicContact CG-CG 4.09Å; M42-F54 HydrophobicContact SD-CB 4.47Å
43	R	98.1	Very high	98.1	Very high	140 Å²	140	71.4 Å²	71.4	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-71.5	-40.5	178.7	-67.3	-86.3	57.8	-169	-10.1	112.2	Y39 S40 D41	Y39-R43 HydrophobicContact CD2-CG 4.36Å; Y39-R43 HydrophobicContact CE1-CG 4.11Å; Y39-R43 HydrophobicContact CE2-CG 3.89Å; Y39-R43 VanDerWaalsContact O-CG 3.25Å; Y39-R43 WeakPolarHBondContact O-CG 3.48Å; Y39-R43 PolarHBondContact O-N 3.21Å; S40-R43 WeakPolarHBondContact O-CB 3.49Å; S40-R43 PolarHBondContact O-N 3.22Å; S40-R43 VanDerWaalsContact O-N 3.13Å; D41-R43 PolarHBondContact O-N 2.82Å
44	E	98.5	Very high	98.1	Very high	115 Å²	115	65 Å²	65	54%	0.537	30%	0.3	S	S	.	.	H	α-helix	trans	-66.5	-46.5	176.3	-168.1	-162.5	148	0	0	111.8	S40 D41 N46 K121 Y122	S40-E44 WeakPolarHBondContact O-CB 3.48Å; S40-E44 PolarHBondContact O-N 2.97Å; D41-E44 PolarHBondContact O-N 2.94Å; E44-N46 VanDerWaalsContact C-N 3.25Å; E44-N46 PolarHBondContact O-N 3.42Å; E44-K121 IonicContact OE1-NZ 3.21Å; E44-K121 PolarHBondContact OE1-NZ 3.34Å; E44-Y122 WeakPolarHBondContact CG-OH 3.45Å; E44-Y122 PolarHBondContact OE1-OH 3.01Å; E44-Y122 VanDerWaalsContact OE1-OH 3.11Å
45	A	98.3	Very high	98.1	Very high	19 Å²	19	65.6 Å²	65.6	16%	0.157	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-37.1	-178.7	0	0	0	0	0	111.6	D41 Y47 F54 L118 Y122	D41-A45 WeakPolarHBondContact O-CB 3.34Å; D41-A45 PolarHBondContact O-N 2.87Å; A45-Y47 PolarHBondContact O-N 3.37Å; A45-F54 HydrophobicContact CB-CE2 4.07Å; A45-F54 HydrophobicContact CB-CZ 3.88Å; A45-L118 HydrophobicContact CB-CD1 4.32Å; A45-Y122 HydrophobicContact CB-CD2 3.91Å; A45-Y122 HydrophobicContact CB-CE1 4.31Å; A45-Y122 HydrophobicContact CB-CE2 3.45Å; A45-Y122 VanDerWaalsContact CB-CE2 3.45Å; A45-Y122 HydrophobicContact CB-CG 4.49Å; A45-Y122 PolarHBondContact N-OH 3.37Å
46	N	97.9	Very high	98.1	Very high	122 Å²	122	64.5 Å²	64.5	65%	0.652	30%	0.298	S	S	*	.			trans	43.6	42.7	-178.1	-168.4	43.6	0	0	0	112.2	M42 E44	M42-N46 PolarHBondContact O-N 3.07Å; E44-N46 VanDerWaalsContact C-N 3.25Å; E44-N46 PolarHBondContact O-N 3.42Å
47	Y	97.9	Very high	98.1	Very high	90 Å²	90	56.9 Å²	56.9	35%	0.353	27%	0.269	S	S	.	.			trans	-101.6	137.6	-169.5	-156	-93.1	0	0	0	110.4	A45 S50 P115 A116 G117 L118	A45-Y47 PolarHBondContact O-N 3.37Å; Y47-S50 PolarHBondContact O-OG 3.15Å; Y47-P115 HydrophobicContact CD1-CB 4.41Å; Y47-P115 HydrophobicContact CD1-CG 3.81Å; Y47-P115 HydrophobicContact CE1-CB 4.14Å; Y47-P115 HydrophobicContact CE1-CG 3.95Å; Y47-A116 PolarHBondContact OH-O 2.99Å; Y47-G117 VanDerWaalsContact OH-C 3.3Å; Y47-G117 WeakPolarHBondContact OH-CA 3.24Å; Y47-G117 PolarHBondContact OH-O 3.1Å; Y47-L118 HydrophobicContact CD1-CD1 3.95Å; Y47-L118 HydrophobicContact CD2-CD1 4.32Å; Y47-L118 HydrophobicContact CG-CD1 3.73Å
48	I	96.6	Very high	98.1	Very high	135 Å²	135	52 Å²	52	69%	0.692	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	137.8	-177.7	-62.5	167.7	0	0	0	109.1	S50	I48-S50 PolarHBondContact O-N 3.44Å
49	N	95.7	Very high	98.1	Very high	127 Å²	127	51.9 Å²	51.9	68%	0.679	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	23.8	179	-53.9	-29.5	0	0	0	115.1
50	S	97.8	Very high	98.2	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.014	24%	0.243	C	C	.	.			trans	-98.3	-1.5	175.5	69.3	0	0	0	0	114	Y47 I48 K52 Y53 F54	Y47-S50 PolarHBondContact O-OG 3.15Å; I48-S50 PolarHBondContact O-N 3.44Å; S50-K52 PolarHBondContact O-N 3.36Å; S50-Y53 WeakPolarHBondContact O-CB 3.42Å; S50-Y53 PolarHBondContact O-N 2.97Å; S50-F54 WeakPolarHBondContact O-CD2 3.34Å; S50-F54 PolarHBondContact O-N 2.91Å; S50-F54 VanDerWaalsContact O-N 3.16Å; S50-F54 WeakPolarHBondContact OG-CE2 3.27Å
51	D	96.6	Very high	98.2	Very high	45 Å²	45	49.9 Å²	49.9	24%	0.241	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-51.5	-175.1	65.7	-41.1	0	0	0	111.6	Y53 F54 H55	D51-Y53 PolarHBondContact O-N 2.97Å; D51-F54 PolarHBondContact O-N 3.26Å; D51-F54 VanDerWaalsContact O-N 3.1Å; D51-H55 PolarHBondContact O-CD2 2.9Å; D51-H55 PolarHBondContact O-N 3.05Å
52	K	98.4	Very high	98.2	Very high	36 Å²	36	48.5 Å²	48.5	16%	0.157	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-33.4	179.7	-59.8	-60.9	-177.3	-82.8	0	112.8	S50 H55 A56 A96 D97 A100 F113	S50-K52 PolarHBondContact O-N 3.36Å; K52-H55 WeakPolarHBondContact O-CB 3.43Å; K52-H55 PolarHBondContact O-N 3.03Å; K52-A56 WeakPolarHBondContact O-CB 3.3Å; K52-A56 PolarHBondContact O-N 3.31Å; K52-A96 WeakPolarHBondContact CD-O 3.28Å; K52-A96 WeakPolarHBondContact CE-O 3.39Å; K52-D97 WeakPolarHBondContact CE-OD1 3.35Å; K52-D97 IonicContact NZ-OD1 3.66Å; K52-D97 PolarHBondContact NZ-OD1 3.47Å; K52-A100 HydrophobicContact CB-CB 4.04Å; K52-A100 HydrophobicContact CD-CB 3.86Å; K52-F113 HydrophobicContact CB-CB 4.01Å; K52-F113 HydrophobicContact CB-CD1 3.84Å; K52-F113 HydrophobicContact CB-CG 3.97Å
53	Y	98.6	Very high	98.2	Very high	9 Å²	9	48 Å²	48	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-51.1	172.6	172.3	-101.4	0	0	0	111.7	S50 D51 H55 A56 R57 P110 N111 R114 L118 Y122	S50-Y53 WeakPolarHBondContact O-CB 3.42Å; S50-Y53 PolarHBondContact O-N 2.97Å; D51-Y53 PolarHBondContact O-N 2.97Å; Y53-H55 VanDerWaalsContact C-N 3.31Å; Y53-H55 PolarHBondContact O-N 3.13Å; Y53-A56 PolarHBondContact O-N 3.05Å; Y53-R57 VanDerWaalsContact O-CB 3.3Å; Y53-R57 WeakPolarHBondContact O-CB 3.26Å; Y53-R57 PolarHBondContact O-N 2.97Å; Y53-R57 WeakPolarHBondContact OH-CD 3.43Å; Y53-P110 HydrophobicContact CD2-CB 4.36Å; Y53-P110 WeakPolarHBondContact CD2-O 3.4Å; Y53-P110 HydrophobicContact CE2-CB 4.11Å; Y53-N111 WeakPolarHBondContact CE2-OD1 2.79Å; Y53-R114 HydrophobicContact CD2-CB 3.81Å; Y53-R114 HydrophobicContact CD2-CG 4.35Å; Y53-R114 HydrophobicContact CE2-CB 4.08Å; Y53-R114 HydrophobicContact CE2-CG 4.37Å; Y53-R114 PolarHBondContact OH-NH1 2.61Å; Y53-L118 HydrophobicContact CD1-CD2 3.45Å; Y53-L118 VanDerWaalsContact CD1-CD2 3.45Å; Y53-L118 HydrophobicContact CE1-CD2 3.55Å; Y53-L118 HydrophobicContact CG-CD2 4.15Å; Y53-Y122 VanDerWaalsContact OH-C 3.29Å; Y53-Y122 PolarHBondContact OH-O 3.36Å; Y53-Y122 PolarHBondContact OH-OXT 3.32Å
54	F	98.7	Very high	98.2	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.022	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-31.6	-179.4	-70.7	-70.1	0	0	0	112.7	D41 M42 A45 S50 D51 G58 L118 Y122	D41-F54 HydrophobicContact CB-CD1 4.14Å; D41-F54 HydrophobicContact CB-CE1 3.6Å; D41-F54 HydrophobicContact CB-CZ 4.36Å; M42-F54 HydrophobicContact CB-CB 3.79Å; M42-F54 HydrophobicContact CB-CD1 4.17Å; M42-F54 HydrophobicContact CB-CD2 3.48Å; M42-F54 VanDerWaalsContact CB-CD2 3.48Å; M42-F54 HydrophobicContact CB-CE2 4.08Å; M42-F54 HydrophobicContact CB-CG 3.54Å; M42-F54 HydrophobicContact CG-CB 4.16Å; M42-F54 HydrophobicContact CG-CD2 3.65Å; M42-F54 HydrophobicContact CG-CE2 4.36Å; M42-F54 HydrophobicContact CG-CG 4.09Å; M42-F54 HydrophobicContact SD-CB 4.47Å; A45-F54 HydrophobicContact CB-CE2 4.07Å; A45-F54 HydrophobicContact CB-CZ 3.88Å; S50-F54 WeakPolarHBondContact O-CD2 3.34Å; S50-F54 PolarHBondContact O-N 2.91Å; S50-F54 VanDerWaalsContact O-N 3.16Å; S50-F54 WeakPolarHBondContact OG-CE2 3.27Å; D51-F54 PolarHBondContact O-N 3.26Å; D51-F54 VanDerWaalsContact O-N 3.1Å; F54-G58 PolarHBondContact O-N 3.39Å; F54-L118 HydrophobicContact CE2-CD1 4.36Å; F54-L118 HydrophobicContact CE2-CD2 4.4Å; F54-L118 HydrophobicContact CZ-CD1 4.39Å; F54-L118 HydrophobicContact CZ-CD2 4.24Å; F54-Y122 HydrophobicContact CE1-CD1 4.26Å; F54-Y122 HydrophobicContact CE1-CG 4.25Å; F54-Y122 HydrophobicContact CZ-CD1 4.27Å; F54-Y122 HydrophobicContact CZ-CD2 4.49Å; F54-Y122 AromaticContact CZ-CG 3.99Å; F54-Y122 HydrophobicContact CZ-CG 3.99Å
55	H	98.6	Very high	98.2	Very high	18 Å²	18	45.7 Å²	45.7	8%	0.083	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-53.4	169.1	-85.8	-73.5	0	0	0	112.5	D51 K52 Y53 N59 R80 D97 A100 N101	D51-H55 PolarHBondContact O-CD2 2.9Å; D51-H55 PolarHBondContact O-N 3.05Å; K52-H55 WeakPolarHBondContact O-CB 3.43Å; K52-H55 PolarHBondContact O-N 3.03Å; Y53-H55 VanDerWaalsContact C-N 3.31Å; Y53-H55 PolarHBondContact O-N 3.13Å; H55-N59 PolarHBondContact O-N 3.02Å; H55-N59 PolarHBondContact O-ND2 2.87Å; H55-R80 PolarHBondContact CE1-NH1 3.27Å; H55-R80 PolarHBondContact NE2-NH1 2.65Å; H55-R80 PolarHBondContact NE2-NH2 3.08Å; H55-D97 IonicContact CD2-OD1 3.31Å; H55-D97 IonicContact CE1-OD2 3.91Å; H55-D97 IonicContact NE2-OD1 3.98Å; H55-D97 IonicContact NE2-OD2 2.67Å; H55-D97 PolarHBondContact NE2-OD2 2.96Å; H55-A100 HydrophobicContact CB-CB 3.96Å; H55-N101 WeakPolarHBondContact CB-OD1 3.45Å; H55-N101 PolarHBondContact ND1-OD1 3.24Å
56	A	98.9	Very high	98.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-44.3	178.8	0	0	0	0	0	111.6	K52 Y53 N59 Y60 A100 G104 P110 F113	K52-A56 WeakPolarHBondContact O-CB 3.3Å; K52-A56 PolarHBondContact O-N 3.31Å; Y53-A56 PolarHBondContact O-N 3.05Å; A56-N59 PolarHBondContact O-N 2.82Å; A56-Y60 VanDerWaalsContact O-CB 3.22Å; A56-Y60 WeakPolarHBondContact O-CB 3.43Å; A56-Y60 PolarHBondContact O-N 2.95Å; A56-A100 VanDerWaalsContact CA-O 3.29Å; A56-A100 WeakPolarHBondContact CA-O 3.31Å; A56-A100 WeakPolarHBondContact CB-O 3.29Å; A56-G104 VanDerWaalsContact O-CA 3.29Å; A56-G104 WeakPolarHBondContact O-CA 3.22Å; A56-P110 HydrophobicContact CB-CB 4Å; A56-F113 HydrophobicContact CB-CD2 3.67Å; A56-F113 HydrophobicContact CB-CE2 3.97Å
57	R	98.9	Very high	98.2	Very high	17 Å²	17	44.6 Å²	44.6	6%	0.064	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-44.9	-177.8	-167.1	-169.6	68.7	164.1	9.5	112.1	D41 Y53 N59 Y60 D61 P110 Y122	D41-R57 VanDerWaalsContact CB-NH2 3.31Å; D41-R57 IonicContact OD2-CZ 2.69Å; D41-R57 IonicContact OD2-NH1 2.61Å; D41-R57 PolarHBondContact OD2-NH1 2.93Å; D41-R57 VanDerWaalsContact OD2-NH1 3.07Å; D41-R57 IonicContact OD2-NH2 3.33Å; D41-R57 PolarHBondContact OD2-NH2 3.34Å; Y53-R57 VanDerWaalsContact O-CB 3.3Å; Y53-R57 WeakPolarHBondContact O-CB 3.26Å; Y53-R57 PolarHBondContact O-N 2.97Å; Y53-R57 WeakPolarHBondContact OH-CD 3.43Å; R57-N59 PolarHBondContact O-N 3.39Å; R57-Y60 PolarHBondContact O-N 2.94Å; R57-D61 WeakPolarHBondContact O-CB 3.29Å; R57-D61 VanDerWaalsContact O-CG 3.24Å; R57-D61 PolarHBondContact O-N 3.24Å; R57-P110 HydrophobicContact CB-CB 3.93Å; R57-P110 HydrophobicContact CB-CG 4.22Å; R57-P110 HydrophobicContact CG-CB 4.48Å; R57-P110 HydrophobicContact CG-CG 4.5Å; R57-Y122 WeakPolarHBondContact CD-OXT 3.31Å; R57-Y122 VanDerWaalsContact NH1-CA 3.34Å; R57-Y122 PolarHBondContact NH1-OXT 3.2Å
58	G	98.8	Very high	98.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-45.2	176.6	0	0	0	0	0	112.5	A38 F54 A62	A38-G58 VanDerWaalsContact CB-CA 3.42Å; F54-G58 PolarHBondContact O-N 3.39Å; G58-A62 VanDerWaalsContact O-CB 3.28Å; G58-A62 WeakPolarHBondContact O-CB 3.38Å; G58-A62 PolarHBondContact O-N 3.48Å
59	N	98.9	Very high	98.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-67.4	-37.9	177.2	-85.8	-90.2	0	0	0	112.6	H55 A56 R57 A63 A73 S77 N101 R105	H55-N59 PolarHBondContact O-N 3.02Å; H55-N59 PolarHBondContact O-ND2 2.87Å; A56-N59 PolarHBondContact O-N 2.82Å; R57-N59 PolarHBondContact O-N 3.39Å; N59-A63 WeakPolarHBondContact O-CB 3.45Å; N59-A63 PolarHBondContact O-N 3.37Å; N59-A73 WeakPolarHBondContact OD1-CB 3.32Å; N59-S77 PolarHBondContact ND2-OG 3.32Å; N59-S77 PolarHBondContact OD1-OG 3.1Å; N59-N101 WeakPolarHBondContact CB-O 3.49Å; N59-N101 WeakPolarHBondContact ND2-CB 3.41Å; N59-N101 PolarHBondContact ND2-OD1 3.47Å; N59-N101 VanDerWaalsContact ND2-OD1 3.08Å; N59-R105 HydrophobicContact CB-CB 4.01Å; N59-R105 PolarHBondContact OD1-NH1 3.27Å
60	Y	98.9	Very high	98.5	Very high	73 Å²	73	29.2 Å²	29.2	29%	0.286	15%	0.153	S	C	.	.	H	α-helix	trans	-61.9	-54.8	175.5	178.4	-89.7	0	0	0	111	A56 R57 A62 A63 Q64 G104 G107 K108 P110	A56-Y60 VanDerWaalsContact O-CB 3.22Å; A56-Y60 WeakPolarHBondContact O-CB 3.43Å; A56-Y60 PolarHBondContact O-N 2.95Å; R57-Y60 PolarHBondContact O-N 2.94Å; Y60-A62 VanDerWaalsContact C-N 3.32Å; Y60-A62 PolarHBondContact O-N 2.88Å; Y60-A63 PolarHBondContact O-N 3.26Å; Y60-Q64 HydrophobicContact CD1-CG 4.21Å; Y60-Q64 HydrophobicContact CE1-CG 3.89Å; Y60-Q64 WeakPolarHBondContact O-CG 3.46Å; Y60-Q64 PolarHBondContact O-N 2.89Å; Y60-G104 VanDerWaalsContact CA-O 3.26Å; Y60-G104 WeakPolarHBondContact CA-O 3.36Å; Y60-G107 WeakPolarHBondContact CE2-O 3.28Å; Y60-K108 WeakPolarHBondContact CD2-O 3.47Å; Y60-P110 HydrophobicContact CD1-CG 4.19Å; Y60-P110 HydrophobicContact CD2-CG 4.19Å; Y60-P110 HydrophobicContact CG-CG 3.74Å
61	D	98.9	Very high	98.6	Very high	34 Å²	34	35 Å²	35	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-56.9	-46.3	-180	-71	-6.5	0	0	0	111.3	D34 R37 R57 Q64	D34-D61 HydrophobicContact CB-CB 3.76Å; R37-D61 IonicContact CZ-OD2 3.21Å; R37-D61 IonicContact NE-OD2 3.07Å; R37-D61 IonicContact NH2-OD2 3.3Å; R37-D61 PolarHBondContact NH2-OD2 3.06Å; R57-D61 WeakPolarHBondContact O-CB 3.29Å; R57-D61 VanDerWaalsContact O-CG 3.24Å; R57-D61 PolarHBondContact O-N 3.24Å; D61-Q64 WeakPolarHBondContact O-CB 3.44Å; D61-Q64 PolarHBondContact O-N 2.86Å
62	A	98.9	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-42.2	178.8	0	0	0	0	0	112.1	D34 M35 G58 Y60 Q64 R65 G69 A73	D34-A62 HydrophobicContact CB-CB 4.31Å; M35-A62 HydrophobicContact CG-CB 4.21Å; M35-A62 HydrophobicContact SD-CB 4.45Å; G58-A62 VanDerWaalsContact O-CB 3.28Å; G58-A62 WeakPolarHBondContact O-CB 3.38Å; G58-A62 PolarHBondContact O-N 3.48Å; Y60-A62 VanDerWaalsContact C-N 3.32Å; Y60-A62 PolarHBondContact O-N 2.88Å; A62-Q64 VanDerWaalsContact C-N 3.27Å; A62-Q64 PolarHBondContact O-N 3.18Å; A62-R65 VanDerWaalsContact O-CB 3.3Å; A62-R65 WeakPolarHBondContact O-CB 3.41Å; A62-R65 WeakPolarHBondContact O-CG 3.45Å; A62-R65 PolarHBondContact O-N 3.45Å; A62-R65 VanDerWaalsContact O-N 3.08Å; A62-G69 CarbonylContact O-C 3.28Å; A62-G69 VanDerWaalsContact O-C 3.28Å; A62-G69 VanDerWaalsContact O-CA 3.23Å; A62-G69 WeakPolarHBondContact O-CA 3.4Å; A62-A73 HydrophobicContact CB-CB 3.77Å
63	A	98.8	Very high	98.7	Very high	18 Å²	18	31.4 Å²	31.4	15%	0.149	16%	0.158	C	C	.	.	H	α-helix	trans	-65	-30.2	176.7	0	0	0	0	0	112.8	N59 Y60 R65 G66 A70 R105	N59-A63 WeakPolarHBondContact O-CB 3.45Å; N59-A63 PolarHBondContact O-N 3.37Å; Y60-A63 PolarHBondContact O-N 3.26Å; A63-R65 PolarHBondContact O-N 3.13Å; A63-G66 PolarHBondContact O-N 3.33Å; A63-A70 HydrophobicContact CB-CB 4.3Å; A63-R105 HydrophobicContact CB-CG 4.32Å; A63-R105 WeakPolarHBondContact CB-O 3.5Å
64	Q	98.8	Very high	98.7	Very high	113 Å²	113	35.4 Å²	35.4	53%	0.528	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.8	173.9	-64.9	-46.7	-56.6	0	0	113.3	Y60 D61 A62 G66	Y60-Q64 HydrophobicContact CD1-CG 4.21Å; Y60-Q64 HydrophobicContact CE1-CG 3.89Å; Y60-Q64 WeakPolarHBondContact O-CG 3.46Å; Y60-Q64 PolarHBondContact O-N 2.89Å; D61-Q64 WeakPolarHBondContact O-CB 3.44Å; D61-Q64 PolarHBondContact O-N 2.86Å; A62-Q64 VanDerWaalsContact C-N 3.27Å; A62-Q64 PolarHBondContact O-N 3.18Å; Q64-G66 VanDerWaalsContact C-N 3.31Å
65	R	98.4	Very high	98.6	Very high	95 Å²	95	38.5 Å²	38.5	36%	0.358	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.6	174.7	-54.9	-56.2	-176.4	135.2	2.6	112.5	E27 D30 D34 A62 A63	E27-R65 HydrophobicContact CB-CB 4.36Å; E27-R65 WeakPolarHBondContact CG-O 3.44Å; D30-R65 HydrophobicContact CB-CG 4.1Å; D30-R65 IonicContact OD2-NH1 4Å; D30-R65 PolarHBondContact OD2-NH1 3.48Å; D34-R65 VanDerWaalsContact CG-NH2 3.3Å; D34-R65 IonicContact OD1-CZ 2.95Å; D34-R65 IonicContact OD1-NH2 3.49Å; D34-R65 PolarHBondContact OD1-NH2 2.72Å; D34-R65 IonicContact OD2-CZ 3.87Å; D34-R65 IonicContact OD2-NE 3.45Å; D34-R65 PolarHBondContact OD2-NE 3.38Å; D34-R65 IonicContact OD2-NH2 2.86Å; D34-R65 PolarHBondContact OD2-NH2 3.41Å; A62-R65 VanDerWaalsContact O-CB 3.3Å; A62-R65 WeakPolarHBondContact O-CB 3.41Å; A62-R65 WeakPolarHBondContact O-CG 3.45Å; A62-R65 PolarHBondContact O-N 3.45Å; A62-R65 VanDerWaalsContact O-N 3.08Å; A63-R65 PolarHBondContact O-N 3.13Å
66	G	98.1	Very high	98.6	Very high	23 Å²	23	40.6 Å²	40.6	24%	0.237	21%	0.207	C	C	.	.			trans	125.5	-171	-175.3	0	0	0	0	0	112.5	A63 Q64 G68 G69 A70	A63-G66 PolarHBondContact O-N 3.33Å; Q64-G66 VanDerWaalsContact C-N 3.31Å; G66-G68 VanDerWaalsContact C-N 3.27Å; G66-G68 PolarHBondContact O-N 2.86Å; G66-G69 PolarHBondContact O-N 3.13Å; G66-A70 PolarHBondContact O-N 3.11Å
67	P	98.1	Very high	98.5	Very high	95 Å²	95	40.8 Å²	40.8	62%	0.617	21%	0.209	S	C	*	.	H	α-helix	trans	-53.9	-38.8	-178	-27.7	35.4	0	0	0	114.3	E27 W71	E27-P67 VanDerWaalsContact OE2-CD 3.31Å; E27-P67 WeakPolarHBondContact OE2-CD 3.49Å; P67-W71 WeakPolarHBondContact O-CB 3.15Å; P67-W71 PolarHBondContact O-N 2.84Å
68	G	98.3	Very high	98.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-38.3	177.5	0	0	0	0	0	113.1	E27 A28 G66 W71 A72	E27-G68 PolarHBondContact OE2-N 3.43Å; A28-G68 VanDerWaalsContact CA-C 3.49Å; A28-G68 VanDerWaalsContact CA-O 3.27Å; A28-G68 WeakPolarHBondContact CA-O 3.43Å; A28-G68 WeakPolarHBondContact CB-O 3.35Å; G66-G68 VanDerWaalsContact C-N 3.27Å; G66-G68 PolarHBondContact O-N 2.86Å; G68-W71 PolarHBondContact O-N 3.27Å; G68-A72 WeakPolarHBondContact O-CB 3.46Å; G68-A72 PolarHBondContact O-N 3.2Å
69	G	98.8	Very high	98.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-71.6	-39.9	177.9	0	0	0	0	0	112.7	E27 A62 G66 W71 A72 A73	E27-G69 WeakPolarHBondContact O-CA 3.41Å; E27-G69 PolarHBondContact O-N 3.32Å; A62-G69 CarbonylContact O-C 3.28Å; A62-G69 VanDerWaalsContact O-C 3.28Å; A62-G69 VanDerWaalsContact O-CA 3.23Å; A62-G69 WeakPolarHBondContact O-CA 3.4Å; G66-G69 PolarHBondContact O-N 3.13Å; G69-W71 VanDerWaalsContact C-N 3.34Å; G69-W71 PolarHBondContact O-N 2.81Å; G69-A72 PolarHBondContact O-N 3.5Å; G69-A73 WeakPolarHBondContact O-CB 3.35Å; G69-A73 PolarHBondContact O-N 3.49Å
70	A	98.8	Very high	97.7	Very high	28 Å²	28	47.7 Å²	47.7	23%	0.231	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-43	172.4	0	0	0	0	0	111.8	A63 G66 A73 E74 R105	A63-A70 HydrophobicContact CB-CB 4.3Å; G66-A70 PolarHBondContact O-N 3.11Å; A70-A73 PolarHBondContact O-N 3.35Å; A70-E74 PolarHBondContact O-N 2.84Å; A70-R105 HydrophobicContact CB-CG 4.49Å; A70-R105 WeakPolarHBondContact O-CD 3.43Å
71	W	98.6	Very high	97.3	Very high	125 Å²	125	45.6 Å²	45.6	47%	0.473	24%	0.241	S	C	.	.	H	α-helix	trans	-60.8	-46.1	173.6	170.6	80.9	0	0	0	112.3	F24 A28 P67 G68 G69 A73 E74 V75	F24-W71 HydrophobicContact CE1-CD2 4.5Å; F24-W71 HydrophobicContact CE1-CE3 4.32Å; F24-W71 HydrophobicContact CE2-CB 4.36Å; F24-W71 HydrophobicContact CZ-CB 4.06Å; F24-W71 AromaticContact CZ-CD2 3.98Å; F24-W71 HydrophobicContact CZ-CD2 3.98Å; F24-W71 HydrophobicContact CZ-CE3 4.14Å; F24-W71 AromaticContact CZ-CG 3.94Å; F24-W71 HydrophobicContact CZ-CG 3.94Å; A28-W71 HydrophobicContact CB-CE3 3.92Å; A28-W71 HydrophobicContact CB-CZ3 4Å; P67-W71 WeakPolarHBondContact O-CB 3.15Å; P67-W71 PolarHBondContact O-N 2.84Å; G68-W71 PolarHBondContact O-N 3.27Å; G69-W71 VanDerWaalsContact C-N 3.34Å; G69-W71 PolarHBondContact O-N 2.81Å; W71-A73 VanDerWaalsContact C-N 3.29Å; W71-A73 PolarHBondContact O-N 2.99Å; W71-E74 PolarHBondContact O-N 3.13Å; W71-V75 HydrophobicContact CD2-CG2 4.3Å; W71-V75 HydrophobicContact CZ2-CG2 3.9Å; W71-V75 WeakPolarHBondContact O-CG2 3.38Å; W71-V75 PolarHBondContact O-N 3.4Å
72	A	98.6	Very high	96.9	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-40.5	177.8	0	0	0	0	0	111.6	A28 G68 G69 E74 I76	A28-A72 HydrophobicContact CB-CB 4.31Å; A28-A72 WeakPolarHBondContact O-CB 3.4Å; G68-A72 WeakPolarHBondContact O-CB 3.46Å; G68-A72 PolarHBondContact O-N 3.2Å; G69-A72 PolarHBondContact O-N 3.5Å; A72-E74 PolarHBondContact O-N 2.88Å; A72-I76 WeakPolarHBondContact O-CB 3.36Å; A72-I76 WeakPolarHBondContact O-CD1 3.46Å; A72-I76 VanDerWaalsContact O-CG1 3.23Å; A72-I76 WeakPolarHBondContact O-CG1 3.5Å; A72-I76 PolarHBondContact O-N 3.37Å
73	A	98.7	Very high	96.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-40.6	177.6	0	0	0	0	0	112.4	M35 N59 A62 G69 A70 W71 S77	M35-A73 HydrophobicContact CG-CB 4.37Å; M35-A73 HydrophobicContact SD-CB 3.98Å; N59-A73 WeakPolarHBondContact OD1-CB 3.32Å; A62-A73 HydrophobicContact CB-CB 3.77Å; G69-A73 WeakPolarHBondContact O-CB 3.35Å; G69-A73 PolarHBondContact O-N 3.49Å; A70-A73 PolarHBondContact O-N 3.35Å; W71-A73 VanDerWaalsContact C-N 3.29Å; W71-A73 PolarHBondContact O-N 2.99Å; A73-S77 WeakPolarHBondContact O-CB 3.11Å; A73-S77 PolarHBondContact O-N 3.41Å; A73-S77 PolarHBondContact O-OG 3.16Å
74	E	98.4	Very high	96	Very high	94 Å²	94	54.4 Å²	54.4	44%	0.439	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-57.1	173.9	-174	177.9	-175.1	0	0	111.8	A70 W71 A72 I76 S77 D78 R105	A70-E74 PolarHBondContact O-N 2.84Å; W71-E74 PolarHBondContact O-N 3.13Å; A72-E74 PolarHBondContact O-N 2.88Å; E74-I76 VanDerWaalsContact C-N 3.32Å; E74-I76 PolarHBondContact O-N 3.06Å; E74-S77 WeakPolarHBondContact O-CB 3.23Å; E74-S77 PolarHBondContact O-N 3.37Å; E74-S77 VanDerWaalsContact O-N 3.12Å; E74-D78 PolarHBondContact O-N 2.95Å; E74-R105 VanDerWaalsContact CA-NH1 3.26Å
75	V	98.2	Very high	95.5	Very high	69 Å²	69	53.9 Å²	53.9	42%	0.418	28%	0.279	S	S	.	.	H	α-helix	trans	-57.6	-43.9	-177.9	172.8	0	0	0	0	112.1	W71 A79	W71-V75 HydrophobicContact CD2-CG2 4.3Å; W71-V75 HydrophobicContact CZ2-CG2 3.9Å; W71-V75 WeakPolarHBondContact O-CG2 3.38Å; W71-V75 PolarHBondContact O-N 3.4Å; V75-A79 VanDerWaalsContact O-CB 3.27Å; V75-A79 WeakPolarHBondContact O-CB 3.38Å; V75-A79 PolarHBondContact O-N 3.49Å
76	I	97.8	Very high	95.1	Very high	63 Å²	63	56.6 Å²	56.6	32%	0.323	30%	0.301	S	S	.	.	H	α-helix	trans	-69.9	-38.5	-179.4	-66.9	167.9	0	0	0	111	A32 M35 A72 E74 A79 R80	A32-I76 HydrophobicContact CB-CD1 3.83Å; M35-I76 HydrophobicContact CB-CD1 4.02Å; M35-I76 HydrophobicContact CB-CG2 4.26Å; M35-I76 HydrophobicContact CE-CB 4.13Å; M35-I76 HydrophobicContact CE-CG2 3.9Å; M35-I76 HydrophobicContact CG-CD1 4.13Å; A72-I76 WeakPolarHBondContact O-CB 3.36Å; A72-I76 WeakPolarHBondContact O-CD1 3.46Å; A72-I76 VanDerWaalsContact O-CG1 3.23Å; A72-I76 WeakPolarHBondContact O-CG1 3.5Å; A72-I76 PolarHBondContact O-N 3.37Å; E74-I76 VanDerWaalsContact C-N 3.32Å; E74-I76 PolarHBondContact O-N 3.06Å; I76-A79 PolarHBondContact O-N 2.81Å; I76-R80 WeakPolarHBondContact O-CB 3.47Å; I76-R80 PolarHBondContact O-N 2.91Å
77	S	97	Very high	94.8	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.028	33%	0.325	C	S	.	.	H	α-helix	trans	-61.5	-48.4	177.6	-64.5	0	0	0	0	111.1	M35 N59 A73 E74 R80 E81 N101	M35-S77 WeakPolarHBondContact CE-OG 3.23Å; N59-S77 PolarHBondContact ND2-OG 3.32Å; N59-S77 PolarHBondContact OD1-OG 3.1Å; A73-S77 WeakPolarHBondContact O-CB 3.11Å; A73-S77 PolarHBondContact O-N 3.41Å; A73-S77 PolarHBondContact O-OG 3.16Å; E74-S77 WeakPolarHBondContact O-CB 3.23Å; E74-S77 PolarHBondContact O-N 3.37Å; E74-S77 VanDerWaalsContact O-N 3.12Å; S77-R80 PolarHBondContact O-N 3.23Å; S77-E81 PolarHBondContact O-N 3.46Å; S77-N101 WeakPolarHBondContact CB-ND2 3.49Å
78	D	94.8	Very high	94.2	Very high	56 Å²	56	60.9 Å²	60.9	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-67.6	-39.1	-179.9	-68	-3.8	0	0	0	111.9	E74 R80 E81 N82 Q98	E74-D78 PolarHBondContact O-N 2.95Å; D78-R80 PolarHBondContact O-N 2.98Å; D78-E81 WeakPolarHBondContact O-CB 3.43Å; D78-E81 PolarHBondContact O-N 3.02Å; D78-N82 WeakPolarHBondContact O-CB 3.29Å; D78-N82 PolarHBondContact O-N 3.5Å; D78-N82 PolarHBondContact O-ND2 3.43Å; D78-Q98 PolarHBondContact OD1-NE2 2.99Å
79	A	93.7	Very high	93.5	Very high	46 Å²	46	64.3 Å²	64.3	38%	0.38	34%	0.34	S	S	.	.	H	α-helix	trans	-60.6	-45.3	174.5	0	0	0	0	0	111.4	V75 I76 E81 N82 I83	V75-A79 VanDerWaalsContact O-CB 3.27Å; V75-A79 WeakPolarHBondContact O-CB 3.38Å; V75-A79 PolarHBondContact O-N 3.49Å; I76-A79 PolarHBondContact O-N 2.81Å; A79-E81 VanDerWaalsContact C-N 3.35Å; A79-E81 PolarHBondContact O-N 3.28Å; A79-N82 PolarHBondContact O-N 3.07Å; A79-I83 WeakPolarHBondContact O-CG1 3.47Å; A79-I83 PolarHBondContact O-N 3.28Å; A79-I83 VanDerWaalsContact O-N 3.1Å
80	R	91.9	Very high	92.8	Very high	61 Å²	61	66.2 Å²	66.2	23%	0.23	36%	0.361	C	S	.	.	H	α-helix	trans	-60.9	-44.7	176.4	-177.1	-178	179.3	-91.1	21	111.3	H55 I76 S77 D78 I83 Q84 D97	H55-R80 PolarHBondContact CE1-NH1 3.27Å; H55-R80 PolarHBondContact NE2-NH1 2.65Å; H55-R80 PolarHBondContact NE2-NH2 3.08Å; I76-R80 WeakPolarHBondContact O-CB 3.47Å; I76-R80 PolarHBondContact O-N 2.91Å; S77-R80 PolarHBondContact O-N 3.23Å; D78-R80 PolarHBondContact O-N 2.98Å; R80-I83 PolarHBondContact O-N 2.97Å; R80-Q84 VanDerWaalsContact O-CG 3.31Å; R80-Q84 WeakPolarHBondContact O-CG 3.22Å; R80-Q84 PolarHBondContact O-N 3.36Å; R80-D97 IonicContact NH1-OD2 3.93Å; R80-D97 PolarHBondContact NH1-OD2 2.87Å
81	E	90.9	Very high	91.8	Very high	30 Å²	30	68.5 Å²	68.5	14%	0.14	38%	0.379	C	S	.	.	H	α-helix	trans	-58.9	-48.5	177.9	-170.6	-161.8	169.1	0	0	111.6	S77 D78 A79 I83 Q84 K85 T94 Q98	S77-E81 PolarHBondContact O-N 3.46Å; D78-E81 WeakPolarHBondContact O-CB 3.43Å; D78-E81 PolarHBondContact O-N 3.02Å; A79-E81 VanDerWaalsContact C-N 3.35Å; A79-E81 PolarHBondContact O-N 3.28Å; E81-I83 VanDerWaalsContact C-N 3.33Å; E81-I83 PolarHBondContact O-N 3.26Å; E81-Q84 PolarHBondContact O-N 2.96Å; E81-Q84 VanDerWaalsContact O-N 3.1Å; E81-K85 WeakPolarHBondContact O-CG 3.2Å; E81-K85 PolarHBondContact O-N 3.16Å; E81-K85 WeakPolarHBondContact OE1-CE 3.41Å; E81-K85 IonicContact OE1-NZ 2.61Å; E81-K85 PolarHBondContact OE1-NZ 3.05Å; E81-T94 VanDerWaalsContact CD-CG2 3.41Å; E81-T94 HydrophobicContact CG-CG2 3.33Å; E81-T94 WeakPolarHBondContact OE1-CG2 3.48Å; E81-Q98 PolarHBondContact OE2-NE2 3.31Å
82	N	89.9	Confident	90.8	Very high	98 Å²	98	70.4 Å²	70.4	52%	0.524	39%	0.393	S	S	.	.	H	α-helix	trans	-60.9	-41.7	179.7	-75.6	-42	0	0	0	112.3	D78 A79 Q84 K85 L86	D78-N82 WeakPolarHBondContact O-CB 3.29Å; D78-N82 PolarHBondContact O-N 3.5Å; D78-N82 PolarHBondContact O-ND2 3.43Å; A79-N82 PolarHBondContact O-N 3.07Å; N82-Q84 VanDerWaalsContact C-N 3.33Å; N82-Q84 PolarHBondContact O-N 3.28Å; N82-K85 PolarHBondContact O-N 2.93Å; N82-L86 PolarHBondContact O-N 3.04Å; N82-L86 VanDerWaalsContact O-N 3.07Å
83	I	90	Very high	90	Very high	102 Å²	102	74 Å²	74	52%	0.523	41%	0.412	S	S	.	.	H	α-helix	trans	-62.3	-43.1	174.5	-67.7	166.3	0	0	0	110.3	A79 R80 E81 L86 L87	A79-I83 WeakPolarHBondContact O-CG1 3.47Å; A79-I83 PolarHBondContact O-N 3.28Å; A79-I83 VanDerWaalsContact O-N 3.1Å; R80-I83 PolarHBondContact O-N 2.97Å; E81-I83 VanDerWaalsContact C-N 3.33Å; E81-I83 PolarHBondContact O-N 3.26Å; I83-L86 WeakPolarHBondContact O-CB 3.47Å; I83-L86 PolarHBondContact O-N 3.01Å; I83-L87 HydrophobicContact CG2-CD1 4.01Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.27Å; I83-L87 PolarHBondContact O-N 3.44Å
84	Q	88.1	Confident	89.4	Confident	37 Å²	37	74.3 Å²	74.3	17%	0.173	41%	0.414	C	S	.	.	H	α-helix	trans	-67.9	-38.9	-179.7	-74.1	179.3	-33.8	0	0	113.5	R80 E81 N82 L86 L87 G88 R89	R80-Q84 VanDerWaalsContact O-CG 3.31Å; R80-Q84 WeakPolarHBondContact O-CG 3.22Å; R80-Q84 PolarHBondContact O-N 3.36Å; E81-Q84 PolarHBondContact O-N 2.96Å; E81-Q84 VanDerWaalsContact O-N 3.1Å; N82-Q84 VanDerWaalsContact C-N 3.33Å; N82-Q84 PolarHBondContact O-N 3.28Å; Q84-L86 VanDerWaalsContact C-N 3.32Å; Q84-L87 CarbonylContact O-C 3.54Å; Q84-L87 PolarHBondContact O-N 3.34Å; Q84-G88 PolarHBondContact O-N 2.77Å; Q84-R89 HydrophobicContact CB-CB 4.15Å; Q84-R89 VanDerWaalsContact O-CB 3.24Å; Q84-R89 WeakPolarHBondContact O-CB 3.27Å; Q84-R89 PolarHBondContact O-N 2.89Å
85	K	88.2	Confident	89.1	Confident	101 Å²	101	75.8 Å²	75.8	44%	0.439	42%	0.424	S	S	.	.	H	α-helix	trans	-59.3	-44.7	171.6	-73.7	178.3	-177.3	166.5	0	111	E81 N82 L87 G88	E81-K85 WeakPolarHBondContact O-CG 3.2Å; E81-K85 PolarHBondContact O-N 3.16Å; E81-K85 WeakPolarHBondContact OE1-CE 3.41Å; E81-K85 IonicContact OE1-NZ 2.61Å; E81-K85 PolarHBondContact OE1-NZ 3.05Å; N82-K85 PolarHBondContact O-N 2.93Å; K85-L87 PolarHBondContact O-N 3.24Å; K85-G88 PolarHBondContact O-N 3.29Å
86	L	90.3	Very high	88.8	Confident	153 Å²	153	74.6 Å²	74.6	80%	0.801	42%	0.422	S	S	*	.	H	α-helix	trans	-60.9	-34.5	177	-177.5	65.4	0	0	0	112.2	N82 I83 Q84 G88	N82-L86 PolarHBondContact O-N 3.04Å; N82-L86 VanDerWaalsContact O-N 3.07Å; I83-L86 WeakPolarHBondContact O-CB 3.47Å; I83-L86 PolarHBondContact O-N 3.01Å; Q84-L86 VanDerWaalsContact C-N 3.32Å; L86-G88 PolarHBondContact O-N 2.77Å
87	L	91.4	Very high	88.6	Confident	142 Å²	142	71.8 Å²	71.8	74%	0.743	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	7.9	176.5	-63.1	174.8	0	0	0	113.7	I83 Q84 K85	I83-L87 HydrophobicContact CG2-CD1 4.01Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.27Å; I83-L87 PolarHBondContact O-N 3.44Å; Q84-L87 CarbonylContact O-C 3.54Å; Q84-L87 PolarHBondContact O-N 3.34Å; K85-L87 PolarHBondContact O-N 3.24Å
88	G	86.7	Confident	88.6	Confident	66 Å²	66	72.8 Å²	72.8	68%	0.68	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	19.1	171.9	0	0	0	0	0	115.5	Q84 K85 L86	Q84-G88 PolarHBondContact O-N 2.77Å; K85-G88 PolarHBondContact O-N 3.29Å; L86-G88 PolarHBondContact O-N 2.77Å
89	R	83.7	Confident	88.7	Confident	71 Å²	71	72.7 Å²	72.7	27%	0.268	42%	0.418	S	S	.	.			trans	-69.7	143.4	176.7	-162.3	173.1	-160.4	-166.5	0	111.9	Q84 D93 D97	Q84-R89 HydrophobicContact CB-CB 4.15Å; Q84-R89 VanDerWaalsContact O-CB 3.24Å; Q84-R89 WeakPolarHBondContact O-CB 3.27Å; Q84-R89 PolarHBondContact O-N 2.89Å; R89-D93 HydrophobicContact CG-CB 4.13Å; R89-D93 IonicContact NE-OD2 3.73Å; R89-D97 IonicContact CZ-OD2 3.61Å; R89-D97 IonicContact NH1-OD2 2.66Å; R89-D97 PolarHBondContact NH1-OD2 3.49Å; R89-D97 IonicContact NH2-OD2 3.81Å
90	G	82.8	Confident	89	Confident	41 Å²	41	70.5 Å²	70.5	42%	0.423	40%	0.4	S	S	.	.			trans	-67.2	153.9	178.5	0	0	0	0	0	113.9	T94	G90-T94 PolarHBondContact O-N 3.27Å; G90-T94 PolarHBondContact O-OG1 2.97Å
91	A	79	Confident	89.3	Confident	75 Å²	75	67.8 Å²	67.8	62%	0.62	39%	0.39	S	S	*	.	H	α-helix	trans	-68.6	-32.4	-178.7	0	0	0	0	0	113.4	T94 L95	A91-T94 VanDerWaalsContact O-CB 3.31Å; A91-T94 WeakPolarHBondContact O-CB 3.46Å; A91-T94 PolarHBondContact O-N 3.28Å; A91-L95 WeakPolarHBondContact O-CG 3.25Å; A91-L95 PolarHBondContact O-N 3.11Å
92	E	76.6	Confident	89.7	Confident	165 Å²	165	71.8 Å²	71.8	77%	0.771	41%	0.409	S	S	*	.	H	α-helix	trans	-66.9	-46.2	178.9	-66.1	-177.7	172.5	0	0	112	T94 L95 A96	E92-T94 PolarHBondContact O-N 3.05Å; E92-L95 PolarHBondContact O-N 3.46Å; E92-A96 PolarHBondContact O-N 3.24Å
93	D	82.4	Confident	90.1	Very high	81 Å²	81	70.9 Å²	70.9	43%	0.433	40%	0.398	S	S	.	.	H	α-helix	trans	-57.3	-38	174.6	-76.3	-11.5	0	0	0	111.9	R89 A96 D97	R89-D93 HydrophobicContact CG-CB 4.13Å; R89-D93 IonicContact NE-OD2 3.73Å; D93-A96 PolarHBondContact O-N 3.31Å; D93-D97 PolarHBondContact O-N 3.34Å
94	T	86.1	Confident	90.5	Very high	5 Å²	5	66 Å²	66	3%	0.031	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-46.8	179.3	-60.2	0	0	0	0	111	E81 G90 A91 E92 A96 D97 Q98	E81-T94 VanDerWaalsContact CD-CG2 3.41Å; E81-T94 HydrophobicContact CG-CG2 3.33Å; E81-T94 WeakPolarHBondContact OE1-CG2 3.48Å; G90-T94 PolarHBondContact O-N 3.27Å; G90-T94 PolarHBondContact O-OG1 2.97Å; A91-T94 VanDerWaalsContact O-CB 3.31Å; A91-T94 WeakPolarHBondContact O-CB 3.46Å; A91-T94 PolarHBondContact O-N 3.28Å; E92-T94 PolarHBondContact O-N 3.05Å; T94-A96 VanDerWaalsContact C-N 3.34Å; T94-A96 PolarHBondContact O-N 2.83Å; T94-D97 PolarHBondContact O-N 3.22Å; T94-Q98 PolarHBondContact O-N 2.99Å
95	L	90.8	Very high	91	Very high	126 Å²	126	66.5 Å²	66.5	66%	0.66	37%	0.374	S	S	*	.	H	α-helix	trans	-63.3	-41	177.4	-71.3	171.5	0	0	0	111.9	A91 E92 Q98 A99	A91-L95 WeakPolarHBondContact O-CG 3.25Å; A91-L95 PolarHBondContact O-N 3.11Å; E92-L95 PolarHBondContact O-N 3.46Å; L95-Q98 PolarHBondContact O-N 3Å; L95-A99 PolarHBondContact O-N 3.12Å
96	A	93.6	Very high	91.5	Very high	44 Å²	44	65.3 Å²	65.3	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-65.7	-39.6	178.2	0	0	0	0	0	112	K52 E92 D93 T94 A99 A100	K52-A96 WeakPolarHBondContact CD-O 3.28Å; K52-A96 WeakPolarHBondContact CE-O 3.39Å; E92-A96 PolarHBondContact O-N 3.24Å; D93-A96 PolarHBondContact O-N 3.31Å; T94-A96 VanDerWaalsContact C-N 3.34Å; T94-A96 PolarHBondContact O-N 2.83Å; A96-A99 PolarHBondContact O-N 2.98Å; A96-A100 PolarHBondContact O-N 3.24Å
97	D	93.8	Very high	91.9	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-61.9	-45	174.5	-84.1	13.5	0	0	0	110.8	K52 H55 R80 R89 D93 T94 A99 A100 N101	K52-D97 WeakPolarHBondContact CE-OD1 3.35Å; K52-D97 IonicContact NZ-OD1 3.66Å; K52-D97 PolarHBondContact NZ-OD1 3.47Å; H55-D97 IonicContact CD2-OD1 3.31Å; H55-D97 IonicContact CE1-OD2 3.91Å; H55-D97 IonicContact NE2-OD1 3.98Å; H55-D97 IonicContact NE2-OD2 2.67Å; H55-D97 PolarHBondContact NE2-OD2 2.96Å; R80-D97 IonicContact NH1-OD2 3.93Å; R80-D97 PolarHBondContact NH1-OD2 2.87Å; R89-D97 IonicContact CZ-OD2 3.61Å; R89-D97 IonicContact NH1-OD2 2.66Å; R89-D97 PolarHBondContact NH1-OD2 3.49Å; R89-D97 IonicContact NH2-OD2 3.81Å; D93-D97 PolarHBondContact O-N 3.34Å; T94-D97 PolarHBondContact O-N 3.22Å; D97-A99 PolarHBondContact O-N 3.32Å; D97-A100 PolarHBondContact O-N 3.18Å; D97-N101 PolarHBondContact O-N 3.5Å; D97-N101 PolarHBondContact O-ND2 3.34Å
98	Q	95.8	Very high	92.2	Very high	25 Å²	25	58.1 Å²	58.1	12%	0.117	34%	0.344	C	S	.	.	H	α-helix	trans	-63.7	-41.9	178.9	-77.7	-67.4	13.5	0	0	112.5	D78 E81 T94 L95 A100 N101 E102	D78-Q98 PolarHBondContact OD1-NE2 2.99Å; E81-Q98 PolarHBondContact OE2-NE2 3.31Å; T94-Q98 PolarHBondContact O-N 2.99Å; L95-Q98 PolarHBondContact O-N 3Å; Q98-A100 VanDerWaalsContact C-N 3.29Å; Q98-A100 PolarHBondContact O-N 3.5Å; Q98-N101 WeakPolarHBondContact O-CB 3.27Å; Q98-N101 PolarHBondContact O-N 2.96Å; Q98-N101 VanDerWaalsContact O-N 3.16Å; Q98-N101 PolarHBondContact OE1-ND2 3.05Å; Q98-E102 WeakPolarHBondContact O-CG 3.43Å; Q98-E102 PolarHBondContact O-N 2.69Å
99	A	98	Very high	92.8	Very high	54 Å²	54	59.2 Å²	59.2	45%	0.446	34%	0.335	S	S	.	.	H	α-helix	trans	-59.4	-39.4	175.1	0	0	0	0	0	112.4	L95 A96 D97 W103	L95-A99 PolarHBondContact O-N 3.12Å; A96-A99 PolarHBondContact O-N 2.98Å; D97-A99 PolarHBondContact O-N 3.32Å; A99-W103 VanDerWaalsContact O-CB 3.27Å; A99-W103 WeakPolarHBondContact O-CB 3.48Å; A99-W103 PolarHBondContact O-N 3Å
100	A	98.5	Very high	93.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-69.5	-40.5	175.5	0	0	0	0	0	112.4	K52 H55 A56 A96 D97 Q98 W103 G104 F113	K52-A100 HydrophobicContact CB-CB 4.04Å; K52-A100 HydrophobicContact CD-CB 3.86Å; H55-A100 HydrophobicContact CB-CB 3.96Å; A56-A100 VanDerWaalsContact CA-O 3.29Å; A56-A100 WeakPolarHBondContact CA-O 3.31Å; A56-A100 WeakPolarHBondContact CB-O 3.29Å; A96-A100 PolarHBondContact O-N 3.24Å; D97-A100 PolarHBondContact O-N 3.18Å; Q98-A100 VanDerWaalsContact C-N 3.29Å; Q98-A100 PolarHBondContact O-N 3.5Å; A100-W103 PolarHBondContact O-N 2.95Å; A100-G104 PolarHBondContact O-N 3Å; A100-G104 VanDerWaalsContact O-N 3.13Å; A100-F113 HydrophobicContact CB-CD2 4.47Å; A100-F113 HydrophobicContact CB-CE1 4.49Å; A100-F113 HydrophobicContact CB-CE2 4.04Å; A100-F113 HydrophobicContact CB-CZ 4.05Å
101	N	98.6	Very high	94.3	Very high	4 Å²	4	58 Å²	58	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-58.2	-51.2	174.6	-64.7	-32.6	0	0	0	110.9	H55 N59 S77 D97 Q98 G104 R105	H55-N101 WeakPolarHBondContact CB-OD1 3.45Å; H55-N101 PolarHBondContact ND1-OD1 3.24Å; N59-N101 WeakPolarHBondContact CB-O 3.49Å; N59-N101 WeakPolarHBondContact ND2-CB 3.41Å; N59-N101 PolarHBondContact ND2-OD1 3.47Å; N59-N101 VanDerWaalsContact ND2-OD1 3.08Å; S77-N101 WeakPolarHBondContact CB-ND2 3.49Å; D97-N101 PolarHBondContact O-N 3.5Å; D97-N101 PolarHBondContact O-ND2 3.34Å; Q98-N101 WeakPolarHBondContact O-CB 3.27Å; Q98-N101 PolarHBondContact O-N 2.96Å; Q98-N101 VanDerWaalsContact O-N 3.16Å; Q98-N101 PolarHBondContact OE1-ND2 3.05Å; N101-G104 PolarHBondContact O-N 3.39Å; N101-R105 VanDerWaalsContact O-CB 3.28Å; N101-R105 WeakPolarHBondContact O-CB 3.49Å; N101-R105 PolarHBondContact O-N 3.4Å
102	E	98.6	Very high	95.2	Very high	114 Å²	114	60.1 Å²	60.1	53%	0.533	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-40.9	179.8	-71.8	178	-178.2	0	0	112.4	Q98 G104 R105 S106	Q98-E102 WeakPolarHBondContact O-CG 3.43Å; Q98-E102 PolarHBondContact O-N 2.69Å; E102-G104 PolarHBondContact O-N 2.63Å; E102-R105 PolarHBondContact O-N 2.95Å; E102-S106 VanDerWaalsContact O-CB 3.27Å; E102-S106 WeakPolarHBondContact O-CB 3.47Å; E102-S106 PolarHBondContact O-N 3.49Å; E102-S106 PolarHBondContact O-OG 2.93Å
103	W	98.9	Very high	96.2	Very high	79 Å²	79	54.8 Å²	54.8	30%	0.299	30%	0.296	S	S	.	.	H	α-helix	trans	-54.5	-53.6	175.4	-178.9	-82.4	0	0	0	111	A99 A100 S106 K108 D109 H112 F113	A99-W103 VanDerWaalsContact O-CB 3.27Å; A99-W103 WeakPolarHBondContact O-CB 3.48Å; A99-W103 PolarHBondContact O-N 3Å; A100-W103 PolarHBondContact O-N 2.95Å; W103-S106 PolarHBondContact O-N 3.03Å; W103-S106 PolarHBondContact O-OG 2.99Å; W103-K108 HydrophobicContact CD2-CB 3.85Å; W103-K108 HydrophobicContact CD2-CD 3.51Å; W103-K108 HydrophobicContact CD2-CG 4.35Å; W103-K108 VanDerWaalsContact CE2-CB 3.43Å; W103-K108 HydrophobicContact CE3-CD 3.54Å; W103-K108 HydrophobicContact CG-CB 3.94Å; W103-K108 HydrophobicContact CG-CD 4.11Å; W103-K108 HydrophobicContact CH2-CD 3.98Å; W103-K108 HydrophobicContact CZ2-CB 3.97Å; W103-K108 HydrophobicContact CZ2-CD 3.94Å; W103-K108 HydrophobicContact CZ2-CG 4.47Å; W103-K108 HydrophobicContact CZ3-CD 3.79Å; W103-K108 VanDerWaalsContact NE1-CB 3.27Å; W103-K108 WeakPolarHBondContact O-CB 3.34Å; W103-K108 PolarHBondContact O-N 3.1Å; W103-D109 PolarHBondContact NE1-O 3.01Å; W103-H112 AromaticContact CE2-CD2 3.92Å; W103-H112 AromaticContact CE2-CG 3.93Å; W103-H112 HydrophobicContact CZ2-CB 3.81Å; W103-H112 AromaticContact CZ2-CD2 3.8Å; W103-H112 AromaticContact CZ2-CG 3.6Å; W103-F113 HydrophobicContact CB-CE2 3.87Å; W103-F113 HydrophobicContact CB-CZ 4.27Å; W103-F113 AromaticContact CD1-CE2 3.67Å; W103-F113 HydrophobicContact CD2-CE2 4.21Å; W103-F113 HydrophobicContact CD2-CZ 4.47Å; W103-F113 AromaticContact CG-CE2 3.65Å; W103-F113 HydrophobicContact CG-CE2 3.65Å; W103-F113 HydrophobicContact CG-CZ 4.2Å
104	G	98.8	Very high	97	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-49.8	176.9	0	0	0	0	0	112.6	A56 Y60 A100 N101 E102 S106 G107	A56-G104 VanDerWaalsContact O-CA 3.29Å; A56-G104 WeakPolarHBondContact O-CA 3.22Å; Y60-G104 VanDerWaalsContact CA-O 3.26Å; Y60-G104 WeakPolarHBondContact CA-O 3.36Å; A100-G104 PolarHBondContact O-N 3Å; A100-G104 VanDerWaalsContact O-N 3.13Å; N101-G104 PolarHBondContact O-N 3.39Å; E102-G104 PolarHBondContact O-N 2.63Å; G104-S106 PolarHBondContact O-N 2.66Å; G104-G107 WeakPolarHBondContact O-CA 3.31Å; G104-G107 PolarHBondContact O-N 3.34Å
105	R	98.8	Very high	97.6	Very high	47 Å²	47	54.1 Å²	54.1	18%	0.177	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-27.7	-177.7	-167.7	159.4	57.1	-135.6	10.6	112.7	N59 A63 A70 E74 N101 E102 G107	N59-R105 HydrophobicContact CB-CB 4.01Å; N59-R105 PolarHBondContact OD1-NH1 3.27Å; A63-R105 HydrophobicContact CB-CG 4.32Å; A63-R105 WeakPolarHBondContact CB-O 3.5Å; A70-R105 HydrophobicContact CB-CG 4.49Å; A70-R105 WeakPolarHBondContact O-CD 3.43Å; E74-R105 VanDerWaalsContact CA-NH1 3.26Å; N101-R105 VanDerWaalsContact O-CB 3.28Å; N101-R105 WeakPolarHBondContact O-CB 3.49Å; N101-R105 PolarHBondContact O-N 3.4Å; E102-R105 PolarHBondContact O-N 2.95Å; R105-G107 PolarHBondContact O-N 3.49Å
106	S	98.6	Very high	97.9	Very high	76 Å²	76	52.7 Å²	52.7	53%	0.531	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-2.4	173.4	76.3	0	0	0	0	114.4	E102 W103 G104 K108	E102-S106 VanDerWaalsContact O-CB 3.27Å; E102-S106 WeakPolarHBondContact O-CB 3.47Å; E102-S106 PolarHBondContact O-N 3.49Å; E102-S106 PolarHBondContact O-OG 2.93Å; W103-S106 PolarHBondContact O-N 3.03Å; W103-S106 PolarHBondContact O-OG 2.99Å; G104-S106 PolarHBondContact O-N 2.66Å; S106-K108 WeakPolarHBondContact OG-CG 3.46Å
107	G	98.3	Very high	98.1	Very high	36 Å²	36	53.5 Å²	53.5	37%	0.371	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	13.7	-179.5	0	0	0	0	0	114.4	Y60 G104 R105	Y60-G107 WeakPolarHBondContact CE2-O 3.28Å; G104-G107 WeakPolarHBondContact O-CA 3.31Å; G104-G107 PolarHBondContact O-N 3.34Å; R105-G107 PolarHBondContact O-N 3.49Å
108	K	98.8	Very high	98.4	Very high	107 Å²	107	53.4 Å²	53.4	47%	0.465	31%	0.308	S	S	.	.			trans	-79.5	152.2	173.6	-63.8	171	-175.2	-70.2	0	110.5	Y60 W103 S106 P110	Y60-K108 WeakPolarHBondContact CD2-O 3.47Å; W103-K108 HydrophobicContact CD2-CB 3.85Å; W103-K108 HydrophobicContact CD2-CD 3.51Å; W103-K108 HydrophobicContact CD2-CG 4.35Å; W103-K108 VanDerWaalsContact CE2-CB 3.43Å; W103-K108 HydrophobicContact CE3-CD 3.54Å; W103-K108 HydrophobicContact CG-CB 3.94Å; W103-K108 HydrophobicContact CG-CD 4.11Å; W103-K108 HydrophobicContact CH2-CD 3.98Å; W103-K108 HydrophobicContact CZ2-CB 3.97Å; W103-K108 HydrophobicContact CZ2-CD 3.94Å; W103-K108 HydrophobicContact CZ2-CG 4.47Å; W103-K108 HydrophobicContact CZ3-CD 3.79Å; W103-K108 VanDerWaalsContact NE1-CB 3.27Å; W103-K108 WeakPolarHBondContact O-CB 3.34Å; W103-K108 PolarHBondContact O-N 3.1Å; S106-K108 WeakPolarHBondContact OG-CG 3.46Å; K108-P110 VanDerWaalsContact O-CD 3.29Å; K108-P110 WeakPolarHBondContact O-CD 3.22Å
109	D	98.6	Very high	98.5	Very high	90 Å²	90	55.1 Å²	55.1	48%	0.481	32%	0.322	S	S	.	.			trans	-59.8	118.2	-176.3	-177	3.8	0	0	0	111.9	W103 N111 H112	W103-D109 PolarHBondContact NE1-O 3.01Å; D109-N111 PolarHBondContact O-N 3.01Å; D109-N111 VanDerWaalsContact OD1-CB 3.31Å; D109-N111 WeakPolarHBondContact OD1-CB 3.5Å; D109-N111 PolarHBondContact OD1-N 3.48Å; D109-N111 PolarHBondContact OD1-ND2 3.19Å; D109-H112 WeakPolarHBondContact O-CB 3.01Å; D109-H112 PolarHBondContact O-N 3.07Å
110	P	98.8	Very high	98.4	Very high	8 Å²	8	60.3 Å²	60.3	5%	0.052	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-60.4	-24.8	175	-24.8	35.9	0	0	0	113.7	Y53 A56 R57 Y60 K108 H112 F113	Y53-P110 HydrophobicContact CD2-CB 4.36Å; Y53-P110 WeakPolarHBondContact CD2-O 3.4Å; Y53-P110 HydrophobicContact CE2-CB 4.11Å; A56-P110 HydrophobicContact CB-CB 4Å; R57-P110 HydrophobicContact CB-CB 3.93Å; R57-P110 HydrophobicContact CB-CG 4.22Å; R57-P110 HydrophobicContact CG-CB 4.48Å; R57-P110 HydrophobicContact CG-CG 4.5Å; Y60-P110 HydrophobicContact CD1-CG 4.19Å; Y60-P110 HydrophobicContact CD2-CG 4.19Å; Y60-P110 HydrophobicContact CG-CG 3.74Å; K108-P110 VanDerWaalsContact O-CD 3.29Å; K108-P110 WeakPolarHBondContact O-CD 3.22Å; P110-H112 PolarHBondContact O-N 3.26Å; P110-F113 PolarHBondContact O-N 3.34Å
111	N	98.6	Very high	98.4	Very high	77 Å²	77	66.8 Å²	66.8	41%	0.412	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-64.6	-12.1	180	-65.7	-54.6	0	0	0	113.5	Y53 D109 F113 R114	Y53-N111 WeakPolarHBondContact CE2-OD1 2.79Å; D109-N111 PolarHBondContact O-N 3.01Å; D109-N111 VanDerWaalsContact OD1-CB 3.31Å; D109-N111 WeakPolarHBondContact OD1-CB 3.5Å; D109-N111 PolarHBondContact OD1-N 3.48Å; D109-N111 PolarHBondContact OD1-ND2 3.19Å; N111-F113 PolarHBondContact O-N 3.48Å; N111-F113 VanDerWaalsContact O-N 3.13Å; N111-R114 HydrophobicContact CB-CB 4.27Å; N111-R114 WeakPolarHBondContact O-CB 3.47Å; N111-R114 PolarHBondContact O-N 3.05Å; N111-R114 WeakPolarHBondContact OD1-CD 3.3Å
112	H	98.4	Very high	98.3	Very high	120 Å²	120	67.9 Å²	67.9	56%	0.556	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-49.9	-33.3	164.9	-177	63.8	0	0	0	112.8	W103 D109 P110	W103-H112 AromaticContact CE2-CD2 3.92Å; W103-H112 AromaticContact CE2-CG 3.93Å; W103-H112 HydrophobicContact CZ2-CB 3.81Å; W103-H112 AromaticContact CZ2-CD2 3.8Å; W103-H112 AromaticContact CZ2-CG 3.6Å; D109-H112 WeakPolarHBondContact O-CB 3.01Å; D109-H112 PolarHBondContact O-N 3.07Å; P110-H112 PolarHBondContact O-N 3.26Å
113	F	98.4	Very high	98.3	Very high	54 Å²	54	65.6 Å²	65.6	24%	0.237	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-103.2	3.4	179.1	-58.1	-74.4	0	0	0	113.9	K52 A56 A100 W103 P110 N111 P115	K52-F113 HydrophobicContact CB-CB 4.01Å; K52-F113 HydrophobicContact CB-CD1 3.84Å; K52-F113 HydrophobicContact CB-CG 3.97Å; A56-F113 HydrophobicContact CB-CD2 3.67Å; A56-F113 HydrophobicContact CB-CE2 3.97Å; A100-F113 HydrophobicContact CB-CD2 4.47Å; A100-F113 HydrophobicContact CB-CE1 4.49Å; A100-F113 HydrophobicContact CB-CE2 4.04Å; A100-F113 HydrophobicContact CB-CZ 4.05Å; W103-F113 HydrophobicContact CB-CE2 3.87Å; W103-F113 HydrophobicContact CB-CZ 4.27Å; W103-F113 AromaticContact CD1-CE2 3.67Å; W103-F113 HydrophobicContact CD2-CE2 4.21Å; W103-F113 HydrophobicContact CD2-CZ 4.47Å; W103-F113 AromaticContact CG-CE2 3.65Å; W103-F113 HydrophobicContact CG-CE2 3.65Å; W103-F113 HydrophobicContact CG-CZ 4.2Å; P110-F113 PolarHBondContact O-N 3.34Å; N111-F113 PolarHBondContact O-N 3.48Å; N111-F113 VanDerWaalsContact O-N 3.13Å; F113-P115 WeakPolarHBondContact O-CD 3.46Å
114	R	98.6	Very high	98.3	Very high	48 Å²	48	64.9 Å²	64.9	18%	0.181	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-68.5	120.9	-175	-174.2	-176.1	-163.9	77.7	5.6	110.1	Y53 N111 L118 P119 E120 Y122	Y53-R114 HydrophobicContact CD2-CB 3.81Å; Y53-R114 HydrophobicContact CD2-CG 4.35Å; Y53-R114 HydrophobicContact CE2-CB 4.08Å; Y53-R114 HydrophobicContact CE2-CG 4.37Å; Y53-R114 PolarHBondContact OH-NH1 2.61Å; N111-R114 HydrophobicContact CB-CB 4.27Å; N111-R114 WeakPolarHBondContact O-CB 3.47Å; N111-R114 PolarHBondContact O-N 3.05Å; N111-R114 WeakPolarHBondContact OD1-CD 3.3Å; R114-L118 HydrophobicContact CG-CB 4.21Å; R114-L118 HydrophobicContact CG-CD2 4.24Å; R114-L118 PolarHBondContact NH2-O 3.29Å; R114-P119 VanDerWaalsContact NH2-C 3.33Å; R114-P119 PolarHBondContact NH2-O 2.87Å; R114-E120 IonicContact NE-OE1 2.63Å; R114-Y122 PolarHBondContact NH1-O 2.82Å; R114-Y122 PolarHBondContact NH2-O 3.31Å
115	P	98.3	Very high	98.2	Very high	23 Å²	23	68.5 Å²	68.5	15%	0.149	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-74.6	148.3	175.7	30.1	-32.5	0	0	0	110.6	Y47 F113 G117 L118	Y47-P115 HydrophobicContact CD1-CB 4.41Å; Y47-P115 HydrophobicContact CD1-CG 3.81Å; Y47-P115 HydrophobicContact CE1-CB 4.14Å; Y47-P115 HydrophobicContact CE1-CG 3.95Å; F113-P115 WeakPolarHBondContact O-CD 3.46Å; P115-G117 PolarHBondContact O-N 3.5Å; P115-L118 HydrophobicContact CG-CB 4.12Å; P115-L118 PolarHBondContact O-N 3.06Å
116	A	98	Very high	98.2	Very high	96 Å²	96	69.8 Å²	69.8	79%	0.793	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	131.2	176.2	0	0	0	0	0	110.7	Y47	Y47-A116 PolarHBondContact OH-O 2.99Å
117	G	97.9	Very high	98.2	Very high	62 Å²	62	69.4 Å²	69.4	64%	0.639	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	1.7	178.4	0	0	0	0	0	115.6	Y47 P115 P119	Y47-G117 VanDerWaalsContact OH-C 3.3Å; Y47-G117 WeakPolarHBondContact OH-CA 3.24Å; Y47-G117 PolarHBondContact OH-O 3.1Å; P115-G117 PolarHBondContact O-N 3.5Å; G117-P119 WeakPolarHBondContact O-CD 3.48Å
118	L	98.4	Very high	98.2	Very high	2 Å²	2	71.6 Å²	71.6	1%	0.01	39%	0.389	C	S	.	.			trans	-59.4	125.1	170.1	-170.9	69.7	0	0	0	109.4	A45 Y47 Y53 F54 R114 P115 E120 Y122	A45-L118 HydrophobicContact CB-CD1 4.32Å; Y47-L118 HydrophobicContact CD1-CD1 3.95Å; Y47-L118 HydrophobicContact CD2-CD1 4.32Å; Y47-L118 HydrophobicContact CG-CD1 3.73Å; Y53-L118 HydrophobicContact CD1-CD2 3.45Å; Y53-L118 VanDerWaalsContact CD1-CD2 3.45Å; Y53-L118 HydrophobicContact CE1-CD2 3.55Å; Y53-L118 HydrophobicContact CG-CD2 4.15Å; F54-L118 HydrophobicContact CE2-CD1 4.36Å; F54-L118 HydrophobicContact CE2-CD2 4.4Å; F54-L118 HydrophobicContact CZ-CD1 4.39Å; F54-L118 HydrophobicContact CZ-CD2 4.24Å; R114-L118 HydrophobicContact CG-CB 4.21Å; R114-L118 HydrophobicContact CG-CD2 4.24Å; R114-L118 PolarHBondContact NH2-O 3.29Å; P115-L118 HydrophobicContact CG-CB 4.12Å; P115-L118 PolarHBondContact O-N 3.06Å; L118-E120 PolarHBondContact O-N 3.49Å; L118-Y122 HydrophobicContact CD1-CD2 4.24Å; L118-Y122 HydrophobicContact CG-CD2 4.34Å
119	P	98.4	Very high	98.1	Very high	61 Å²	61	69.1 Å²	69.1	40%	0.396	38%	0.383	S	S	.	.			trans	-54.9	132.7	-177.2	-28.1	35	0	0	0	112.8	R114 G117 K121 Y122	R114-P119 VanDerWaalsContact NH2-C 3.33Å; R114-P119 PolarHBondContact NH2-O 2.87Å; G117-P119 WeakPolarHBondContact O-CD 3.48Å; P119-K121 HydrophobicContact CB-CG 4.34Å; P119-K121 PolarHBondContact O-N 3.4Å; P119-Y122 HydrophobicContact CB-CD2 3.95Å; P119-Y122 HydrophobicContact CB-CE2 4.09Å; P119-Y122 HydrophobicContact CG-CD2 4.21Å; P119-Y122 HydrophobicContact CG-CE2 4.1Å; P119-Y122 PolarHBondContact O-N 3.04Å
120	E	97.3	Very high	98.1	Very high	163 Å²	163	67.5 Å²	67.5	76%	0.762	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.3	-176.1	-67.4	-59	134.7	0	0	115.3	R114 L118 Y122	R114-E120 IonicContact NE-OE1 2.63Å; L118-E120 PolarHBondContact O-N 3.49Å; E120-Y122 PolarHBondContact O-N 3.07Å
121	K	97.6	Very high	98.1	Very high	136 Å²	136	72.4 Å²	72.4	59%	0.591	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.5	173.7	73.6	176.9	-167.7	171.6	0	113.1	E44 P119	E44-K121 IonicContact OE1-NZ 3.21Å; E44-K121 PolarHBondContact OE1-NZ 3.34Å; P119-K121 HydrophobicContact CB-CG 4.34Å; P119-K121 PolarHBondContact O-N 3.4Å
122	Y	96.8	Very high	98	Very high	27 Å²	27	72 Å²	72	11%	0.106	40%	0.402	C	S	.	.			trans	-97.2	0	176	-56.5	-57.7	0	0	0	109.7	D41 E44 A45 Y53 F54 R57 R114 L118 P119 E120	D41-Y122 HydrophobicContact CB-CD1 3.72Å; D41-Y122 HydrophobicContact CB-CE1 3.89Å; E44-Y122 WeakPolarHBondContact CG-OH 3.45Å; E44-Y122 PolarHBondContact OE1-OH 3.01Å; E44-Y122 VanDerWaalsContact OE1-OH 3.11Å; A45-Y122 HydrophobicContact CB-CD2 3.91Å; A45-Y122 HydrophobicContact CB-CE1 4.31Å; A45-Y122 HydrophobicContact CB-CE2 3.45Å; A45-Y122 VanDerWaalsContact CB-CE2 3.45Å; A45-Y122 HydrophobicContact CB-CG 4.49Å; A45-Y122 PolarHBondContact N-OH 3.37Å; Y53-Y122 VanDerWaalsContact OH-C 3.29Å; Y53-Y122 PolarHBondContact OH-O 3.36Å; Y53-Y122 PolarHBondContact OH-OXT 3.32Å; F54-Y122 HydrophobicContact CE1-CD1 4.26Å; F54-Y122 HydrophobicContact CE1-CG 4.25Å; F54-Y122 HydrophobicContact CZ-CD1 4.27Å; F54-Y122 HydrophobicContact CZ-CD2 4.49Å; F54-Y122 AromaticContact CZ-CG 3.99Å; F54-Y122 HydrophobicContact CZ-CG 3.99Å; R57-Y122 WeakPolarHBondContact CD-OXT 3.31Å; R57-Y122 VanDerWaalsContact NH1-CA 3.34Å; R57-Y122 PolarHBondContact NH1-OXT 3.2Å; R114-Y122 PolarHBondContact NH1-O 2.82Å; R114-Y122 PolarHBondContact NH2-O 3.31Å; L118-Y122 HydrophobicContact CD1-CD2 4.24Å; L118-Y122 HydrophobicContact CG-CD2 4.34Å; P119-Y122 HydrophobicContact CB-CD2 3.95Å; P119-Y122 HydrophobicContact CB-CE2 4.09Å; P119-Y122 HydrophobicContact CG-CD2 4.21Å; P119-Y122 HydrophobicContact CG-CE2 4.1Å; P119-Y122 PolarHBondContact O-N 3.04Å; E120-Y122 PolarHBondContact O-N 3.07Å

Retrieved 122 of 122 residues in 482.1 ms (Link to these results)

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