A0A077Z2Y2_TRITR Loading...

DUF4061 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2Y2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 190 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	32.6	Very low	36.7	Very low	240 Å²	240	155.8 Å²	155.8	100%	1.182	82%	0.815	S	S	*	*				0	109.2	0	-93.8	176.3	165.2	0	0	107.1
2	C	32.4	Very low	37.8	Very low	133 Å²	133	155.4 Å²	155.4	90%	0.899	80%	0.802	S	S	*	*			trans	-161.7	117	154.8	-93.6	0	0	0	0	105.8	Q4	C2-Q4 PolarHBondContact O-N 3.22Å
3	C	28.3	Very low	38.9	Very low	131 Å²	131	147.8 Å²	147.8	89%	0.885	76%	0.763	S	S	*	*			trans	-63.7	117.6	172.6	-56.8	0	0	0	0	107.3	E5	C3-E5 PolarHBondContact O-N 3.02Å
4	Q	29.5	Very low	39.7	Very low	194 Å²	194	143.9 Å²	143.9	91%	0.907	74%	0.744	S	S	*	*			trans	-77.3	110.5	171.7	-145.4	164.5	2.5	0	0	106.4	C2 V6	C2-Q4 PolarHBondContact O-N 3.22Å; Q4-V6 PolarHBondContact O-N 3.22Å
5	E	30	Very low	40.6	Very low	178 Å²	178	136 Å²	136	83%	0.832	70%	0.703	S	S	*	*			trans	-46.9	133.8	173.4	-71.1	169.1	154.8	0	0	109	C3 E7	C3-E5 PolarHBondContact O-N 3.02Å; E5-E7 VanDerWaalsContact C-N 3.35Å; E5-E7 PolarHBondContact O-N 2.94Å
6	V	34.3	Very low	41.6	Very low	142 Å²	142	127.5 Å²	127.5	86%	0.861	66%	0.659	S	S	*	*			trans	-59.7	101.9	172.3	178.9	0	0	0	0	106	Q4 E8	Q4-V6 PolarHBondContact O-N 3.22Å; V6-E8 PolarHBondContact O-N 3.28Å; V6-E8 VanDerWaalsContact O-N 3.15Å
7	E	37.9	Very low	42.8	Very low	183 Å²	183	121.3 Å²	121.3	86%	0.855	63%	0.629	S	S	*	*			trans	-48.9	121.8	173.7	-101.5	177.6	158.5	0	0	108.4	E5 L9	E5-E7 VanDerWaalsContact C-N 3.35Å; E5-E7 PolarHBondContact O-N 2.94Å; E7-L9 PolarHBondContact O-N 3Å
8	E	40.3	Very low	43.9	Very low	185 Å²	185	115.8 Å²	115.8	86%	0.864	60%	0.6	S	S	*	*			trans	-53.6	134.8	171.7	-73.7	-176.9	150.7	0	0	109.4	V6 N10	V6-E8 PolarHBondContact O-N 3.28Å; V6-E8 VanDerWaalsContact O-N 3.15Å; E8-N10 PolarHBondContact O-N 3.04Å
9	L	42.7	Very low	44.9	Very low	127 Å²	127	113.9 Å²	113.9	67%	0.665	59%	0.594	S	S	*	*			trans	-45.2	101.1	178.2	-72.9	153.8	0	0	0	110.9	E7 E11	E7-L9 PolarHBondContact O-N 3Å; L9-E11 PolarHBondContact O-N 2.97Å
10	N	46.9	Very low	45.8	Very low	109 Å²	109	109.9 Å²	109.9	58%	0.583	57%	0.57	S	S	*	*			trans	-80.1	88.5	175.6	-155.5	1.9	0	0	0	108.1	E8 K12	E8-N10 PolarHBondContact O-N 3.04Å; N10-K12 PolarHBondContact O-N 3.41Å; N10-K12 VanDerWaalsContact OD1-CD 3.29Å; N10-K12 WeakPolarHBondContact OD1-CD 3.39Å; N10-K12 VanDerWaalsContact OD1-CG 3.22Å; N10-K12 WeakPolarHBondContact OD1-CG 3.35Å
11	E	48.8	Very low	46.6	Very low	92 Å²	92	104.6 Å²	104.6	43%	0.43	54%	0.543	S	S	.	.			trans	-67.4	26.1	174.4	-73.3	-168.8	149.6	0	0	113.4	L9 N13	L9-E11 PolarHBondContact O-N 2.97Å; E11-N13 VanDerWaalsContact C-N 3.26Å; E11-N13 PolarHBondContact O-N 3.19Å
12	K	50.3	Low	48.1	Very low	151 Å²	151	96 Å²	96	66%	0.657	50%	0.5	S	S	*	.			trans	-82.3	11	-179.7	-77.9	-174.1	-174.9	-179.2	0	115	N10	N10-K12 PolarHBondContact O-N 3.41Å; N10-K12 VanDerWaalsContact OD1-CD 3.29Å; N10-K12 WeakPolarHBondContact OD1-CD 3.39Å; N10-K12 VanDerWaalsContact OD1-CG 3.22Å; N10-K12 WeakPolarHBondContact OD1-CG 3.35Å
13	N	51.1	Low	49.7	Very low	56 Å²	56	91.2 Å²	91.2	30%	0.299	47%	0.474	S	S	.	.	S	Bend	trans	-80.8	145.9	174.2	-68.4	-4.4	0	0	0	109	E11 L15	E11-N13 VanDerWaalsContact C-N 3.26Å; E11-N13 PolarHBondContact O-N 3.19Å; N13-L15 HydrophobicContact CB-CB 4.35Å; N13-L15 HydrophobicContact CB-CD1 4.45Å; N13-L15 HydrophobicContact CB-CG 4.29Å; N13-L15 PolarHBondContact O-N 3.49Å
14	D	50.1	Low	51.3	Low	94 Å²	94	85.4 Å²	85.4	50%	0.503	44%	0.436	S	S	.	.	S	Bend	trans	-61.3	29.7	-177.2	-61.4	-39.9	0	0	0	115.5	L44	D14-L44 WeakPolarHBondContact CA-O 3.34Å
15	L	53.9	Low	52.9	Low	25 Å²	25	80.5 Å²	80.5	13%	0.131	41%	0.41	C	S	.	.	S	Bend	trans	-120.7	128.4	-162.6	-78.5	-162.9	0	0	0	106.3	N13 P17 E76 E80	N13-L15 HydrophobicContact CB-CB 4.35Å; N13-L15 HydrophobicContact CB-CD1 4.45Å; N13-L15 HydrophobicContact CB-CG 4.29Å; N13-L15 PolarHBondContact O-N 3.49Å; L15-P17 WeakPolarHBondContact O-CD 3.4Å; L15-P17 VanDerWaalsContact O-N 3.09Å; L15-E76 HydrophobicContact CD2-CB 3.76Å; L15-E76 HydrophobicContact CD2-CG 4.28Å; L15-E80 HydrophobicContact CD1-CB 4.41Å; L15-E80 HydrophobicContact CD1-CG 4.24Å
16	I	56.3	Low	54.6	Low	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.399	C	S	.	.			trans	-48.9	122.8	175.4	-59.7	162	0	0	0	109.2	F18 W20 L21 F49 V69 R73	I16-F18 PolarHBondContact O-N 2.89Å; I16-W20 HydrophobicContact CD1-CZ3 4.43Å; I16-W20 HydrophobicContact CG2-CD2 4.08Å; I16-W20 HydrophobicContact CG2-CE3 3.14Å; I16-W20 HydrophobicContact CG2-CH2 4.44Å; I16-W20 HydrophobicContact CG2-CZ3 3.37Å; I16-L21 HydrophobicContact CG2-CG 4.19Å; I16-F49 HydrophobicContact CD1-CD2 4.39Å; I16-F49 HydrophobicContact CD1-CE2 3.25Å; I16-F49 HydrophobicContact CD1-CZ 3.55Å; I16-F49 HydrophobicContact CG1-CD2 4.34Å; I16-F49 HydrophobicContact CG1-CE2 3.45Å; I16-F49 VanDerWaalsContact CG1-CE2 3.45Å; I16-F49 HydrophobicContact CG1-CZ 3.62Å; I16-V69 HydrophobicContact CD1-CG1 3.9Å; I16-R73 PolarHBondContact O-NE 2.85Å; I16-R73 PolarHBondContact O-NH2 3.48Å
17	P	62.6	Low	56.1	Low	22 Å²	22	74.2 Å²	74.2	14%	0.143	38%	0.383	C	S	.	.			trans	-53.9	129.4	177	-27.9	35	0	0	0	110.4	L15 T19 W20 L21 Y35	L15-P17 WeakPolarHBondContact O-CD 3.4Å; L15-P17 VanDerWaalsContact O-N 3.09Å; P17-T19 WeakPolarHBondContact CB-OG1 3.33Å; P17-T19 PolarHBondContact O-N 2.9Å; P17-W20 HydrophobicContact CB-CB 4.3Å; P17-W20 WeakPolarHBondContact O-CB 3.43Å; P17-W20 PolarHBondContact O-N 3.2Å; P17-L21 PolarHBondContact O-N 3.48Å; P17-Y35 WeakPolarHBondContact CD-OH 3.49Å; P17-Y35 HydrophobicContact CG-CE2 4.41Å
18	F	62.9	Low	57	Low	22 Å²	22	69 Å²	69	10%	0.096	38%	0.377	C	S	.	.	H	α-helix	trans	-61.2	-35.4	180	177.8	-85.7	0	0	0	111	I16 W20 L21 Q22 F149 M152 K153	I16-F18 PolarHBondContact O-N 2.89Å; F18-W20 PolarHBondContact O-N 3.3Å; F18-L21 PolarHBondContact O-N 2.94Å; F18-L21 VanDerWaalsContact O-N 3.15Å; F18-Q22 HydrophobicContact CE1-CB 4.15Å; F18-Q22 PolarHBondContact O-N 3.23Å; F18-F149 HydrophobicContact CE2-CD1 4.01Å; F18-F149 HydrophobicContact CZ-CB 3.88Å; F18-F149 AromaticContact CZ-CD1 3.61Å; F18-F149 HydrophobicContact CZ-CD1 3.61Å; F18-F149 HydrophobicContact CZ-CG 4.22Å; F18-F149 WeakPolarHBondContact CZ-O 3.41Å; F18-M152 HydrophobicContact CD2-CB 4.06Å; F18-M152 HydrophobicContact CE2-CB 3.48Å; F18-M152 VanDerWaalsContact CE2-CB 3.48Å; F18-M152 HydrophobicContact CE2-CG 4.37Å; F18-M152 HydrophobicContact CE2-SD 4.07Å; F18-M152 HydrophobicContact CZ-CB 4.38Å; F18-K153 HydrophobicContact CD1-CG 4.06Å; F18-K153 HydrophobicContact CE1-CD 4.03Å; F18-K153 HydrophobicContact CE1-CG 3.6Å; F18-K153 HydrophobicContact CE2-CG 4.47Å; F18-K153 HydrophobicContact CZ-CD 4.42Å; F18-K153 HydrophobicContact CZ-CG 3.78Å
19	T	61.7	Low	57.7	Low	81 Å²	81	62.1 Å²	62.1	50%	0.497	35%	0.35	S	S	.	.	H	α-helix	trans	-52	-36.3	172.5	49.3	0	0	0	0	112.4	P17 G23	P17-T19 WeakPolarHBondContact CB-OG1 3.33Å; P17-T19 PolarHBondContact O-N 2.9Å; T19-G23 PolarHBondContact O-N 3.46Å
20	W	62.6	Low	58.2	Low	32 Å²	32	58 Å²	58	12%	0.121	33%	0.332	C	S	.	.	H	α-helix	trans	-75.4	-40.9	178.5	174.8	84.2	0	0	0	112.9	I16 P17 F18 Q22 G23 G24 A31 Y35 V69	I16-W20 HydrophobicContact CD1-CZ3 4.43Å; I16-W20 HydrophobicContact CG2-CD2 4.08Å; I16-W20 HydrophobicContact CG2-CE3 3.14Å; I16-W20 HydrophobicContact CG2-CH2 4.44Å; I16-W20 HydrophobicContact CG2-CZ3 3.37Å; P17-W20 HydrophobicContact CB-CB 4.3Å; P17-W20 WeakPolarHBondContact O-CB 3.43Å; P17-W20 PolarHBondContact O-N 3.2Å; F18-W20 PolarHBondContact O-N 3.3Å; W20-Q22 VanDerWaalsContact C-N 3.29Å; W20-Q22 PolarHBondContact O-N 3.33Å; W20-G23 PolarHBondContact O-N 3.19Å; W20-G24 PolarHBondContact O-N 3.44Å; W20-A31 HydrophobicContact CH2-CB 3.6Å; W20-A31 WeakPolarHBondContact CH2-O 3.47Å; W20-A31 HydrophobicContact CZ2-CB 4Å; W20-A31 WeakPolarHBondContact CZ2-O 3.49Å; W20-A31 HydrophobicContact CZ3-CB 4.02Å; W20-Y35 HydrophobicContact CB-CD2 4.35Å; W20-Y35 HydrophobicContact CB-CE2 4.24Å; W20-Y35 AromaticContact CD1-CD2 3.38Å; W20-Y35 AromaticContact CD2-CD2 3.59Å; W20-Y35 HydrophobicContact CD2-CD2 3.59Å; W20-Y35 HydrophobicContact CD2-CE2 4.07Å; W20-Y35 HydrophobicContact CD2-CG 4.22Å; W20-Y35 AromaticContact CE2-CD2 3.41Å; W20-Y35 VanDerWaalsContact CE2-CD2 3.41Å; W20-Y35 AromaticContact CE2-CG 3.68Å; W20-Y35 HydrophobicContact CE3-CD2 4.44Å; W20-Y35 AromaticContact CG-CD2 3.51Å; W20-Y35 HydrophobicContact CG-CD2 3.51Å; W20-Y35 AromaticContact CG-CE2 3.85Å; W20-Y35 HydrophobicContact CG-CE2 3.85Å; W20-Y35 HydrophobicContact CH2-CG 4.41Å; W20-Y35 VanDerWaalsContact CZ2-CB 3.42Å; W20-Y35 HydrophobicContact CZ2-CD2 4.03Å; W20-Y35 AromaticContact CZ2-CG 3.81Å; W20-Y35 HydrophobicContact CZ2-CG 3.81Å; W20-Y35 AromaticContact NE1-CD2 3.32Å; W20-Y35 VanDerWaalsContact NE1-CD2 3.32Å; W20-Y35 AromaticContact NE1-CG 3.8Å; W20-V69 HydrophobicContact CH2-CG1 3.76Å; W20-V69 HydrophobicContact CZ3-CG1 3.6Å
21	L	63.1	Low	58.4	Low	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-41.7	173.7	-78.7	169.7	0	0	0	111.4	I16 P17 F18 G24 Y25 V69 L70 R73	I16-L21 HydrophobicContact CG2-CG 4.19Å; P17-L21 PolarHBondContact O-N 3.48Å; F18-L21 PolarHBondContact O-N 2.94Å; F18-L21 VanDerWaalsContact O-N 3.15Å; L21-G24 PolarHBondContact O-N 3.02Å; L21-Y25 PolarHBondContact O-N 3.22Å; L21-Y25 VanDerWaalsContact O-N 3.1Å; L21-V69 HydrophobicContact CD2-CG1 3.85Å; L21-L70 HydrophobicContact CD1-CD1 3.95Å; L21-L70 HydrophobicContact CD2-CD1 4.32Å; L21-R73 HydrophobicContact CD1-CB 3.59Å; L21-R73 HydrophobicContact CD1-CG 3.32Å
22	Q	64.9	Low	58.5	Low	58 Å²	58	50.8 Å²	50.8	27%	0.271	30%	0.298	S	S	.	.	H	α-helix	trans	-63.2	-44	175.9	-172.3	173.3	0.6	0	0	111.1	F18 W20 G24 Y25 D26 K153	F18-Q22 HydrophobicContact CE1-CB 4.15Å; F18-Q22 PolarHBondContact O-N 3.23Å; W20-Q22 VanDerWaalsContact C-N 3.29Å; W20-Q22 PolarHBondContact O-N 3.33Å; Q22-G24 PolarHBondContact O-N 3.49Å; Q22-Y25 WeakPolarHBondContact O-CB 3.49Å; Q22-Y25 PolarHBondContact O-N 2.86Å; Q22-D26 VanDerWaalsContact O-CG 3.27Å; Q22-D26 PolarHBondContact O-N 3.03Å; Q22-K153 VanDerWaalsContact OE1-NZ 3.08Å
23	G	64.8	Low	58.4	Low	34 Å²	34	46.5 Å²	46.5	35%	0.351	29%	0.291	S	S	.	.	H	α-helix	trans	-63.4	-37.6	176.6	0	0	0	0	0	114	T19 W20 D26 S27	T19-G23 PolarHBondContact O-N 3.46Å; W20-G23 PolarHBondContact O-N 3.19Å; G23-D26 PolarHBondContact O-N 2.84Å; G23-S27 WeakPolarHBondContact O-CB 3.16Å; G23-S27 PolarHBondContact O-N 3.43Å; G23-S27 PolarHBondContact O-OG 3.11Å
24	G	63.2	Low	58.3	Low	8 Å²	8	47.2 Å²	47.2	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-42.2	173.3	0	0	0	0	0	112.3	W20 L21 Q22 S27 G28 S29	W20-G24 PolarHBondContact O-N 3.44Å; L21-G24 PolarHBondContact O-N 3.02Å; Q22-G24 PolarHBondContact O-N 3.49Å; G24-S27 PolarHBondContact O-OG 3.18Å; G24-G28 PolarHBondContact O-N 3.07Å; G24-S29 PolarHBondContact O-N 3.29Å; G24-S29 VanDerWaalsContact O-N 3.11Å
25	Y	62.5	Low	58	Low	92 Å²	92	43.5 Å²	43.5	36%	0.361	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-52.4	173.8	178.2	-104.2	0	0	0	112.2	L21 Q22 S27 G28 F66 S144 F149	L21-Y25 PolarHBondContact O-N 3.22Å; L21-Y25 VanDerWaalsContact O-N 3.1Å; Q22-Y25 WeakPolarHBondContact O-CB 3.49Å; Q22-Y25 PolarHBondContact O-N 2.86Å; Y25-S27 PolarHBondContact O-N 3.26Å; Y25-G28 PolarHBondContact O-N 3.2Å; Y25-G28 VanDerWaalsContact O-N 3.11Å; Y25-F66 HydrophobicContact CD2-CE1 4.26Å; Y25-F66 HydrophobicContact CD2-CZ 4.14Å; Y25-F66 HydrophobicContact CG-CZ 4.43Å; Y25-S144 PolarHBondContact OH-O 2.62Å; Y25-F149 AromaticContact CD1-CE2 3.69Å; Y25-F149 HydrophobicContact CD1-CE2 3.69Å; Y25-F149 AromaticContact CD1-CZ 3.87Å; Y25-F149 HydrophobicContact CD1-CZ 3.87Å; Y25-F149 HydrophobicContact CD2-CE2 4.1Å; Y25-F149 AromaticContact CD2-CZ 3.97Å; Y25-F149 HydrophobicContact CD2-CZ 3.97Å; Y25-F149 AromaticContact CE1-CE2 3.97Å; Y25-F149 HydrophobicContact CE1-CE2 3.97Å; Y25-F149 HydrophobicContact CE2-CE2 4.4Å; Y25-F149 AromaticContact CG-CE2 3.75Å; Y25-F149 HydrophobicContact CG-CE2 3.75Å; Y25-F149 AromaticContact CG-CZ 3.53Å; Y25-F149 HydrophobicContact CG-CZ 3.53Å
26	D	65.3	Low	57.7	Low	112 Å²	112	45.1 Å²	45.1	60%	0.599	30%	0.297	S	S	*	.	H	α-helix	trans	-63.1	-30.3	-176.7	-67.5	-20.9	0	0	0	112.5	Q22 G23	Q22-D26 VanDerWaalsContact O-CG 3.27Å; Q22-D26 PolarHBondContact O-N 3.03Å; G23-D26 PolarHBondContact O-N 2.84Å
27	S	65.4	Low	57.2	Low	76 Å²	76	53.5 Å²	53.5	53%	0.531	34%	0.336	S	S	.	.	H	α-helix	trans	-88.7	-7.1	178.9	59.7	0	0	0	0	114.3	G23 G24 Y25 S29	G23-S27 WeakPolarHBondContact O-CB 3.16Å; G23-S27 PolarHBondContact O-N 3.43Å; G23-S27 PolarHBondContact O-OG 3.11Å; G24-S27 PolarHBondContact O-OG 3.18Å; Y25-S27 PolarHBondContact O-N 3.26Å; S27-S29 PolarHBondContact O-N 3.47Å; S27-S29 VanDerWaalsContact OG-CB 3.31Å; S27-S29 WeakPolarHBondContact OG-CB 3.38Å; S27-S29 PolarHBondContact OG-N 2.85Å
28	G	57.3	Low	56.3	Low	72 Å²	72	61.3 Å²	61.3	74%	0.742	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	15	-171.3	0	0	0	0	0	113.7	G24 Y25	G24-G28 PolarHBondContact O-N 3.07Å; Y25-G28 PolarHBondContact O-N 3.2Å; Y25-G28 VanDerWaalsContact O-N 3.11Å
29	S	54.9	Low	55.3	Low	41 Å²	41	68 Å²	68	29%	0.287	39%	0.387	S	S	.	.			trans	-85.7	139.4	-177.6	-171.1	0	0	0	0	110.3	G24 S27 A31	G24-S29 PolarHBondContact O-N 3.29Å; G24-S29 VanDerWaalsContact O-N 3.11Å; S27-S29 PolarHBondContact O-N 3.47Å; S27-S29 VanDerWaalsContact OG-CB 3.31Å; S27-S29 WeakPolarHBondContact OG-CB 3.38Å; S27-S29 PolarHBondContact OG-N 2.85Å; S29-A31 PolarHBondContact O-N 2.76Å
30	S	52.7	Low	54.5	Low	40 Å²	40	71.4 Å²	71.4	28%	0.28	40%	0.402	S	S	.	.			trans	-58	130.2	166.5	62.9	0	0	0	0	108.2	V32 A33 P63	S30-V32 PolarHBondContact O-N 3.14Å; S30-A33 PolarHBondContact O-N 3.08Å; S30-P63 WeakPolarHBondContact OG-CB 3.27Å
31	A	52.4	Low	53.7	Low	3 Å²	3	70.5 Å²	70.5	3%	0.025	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	39.8	-175.9	0	0	0	0	0	113.3	W20 S29 F66 V69	W20-A31 HydrophobicContact CH2-CB 3.6Å; W20-A31 WeakPolarHBondContact CH2-O 3.47Å; W20-A31 HydrophobicContact CZ2-CB 4Å; W20-A31 WeakPolarHBondContact CZ2-O 3.49Å; W20-A31 HydrophobicContact CZ3-CB 4.02Å; S29-A31 PolarHBondContact O-N 2.76Å; A31-F66 HydrophobicContact CB-CD2 4.32Å; A31-V69 HydrophobicContact CB-CB 4.01Å; A31-V69 HydrophobicContact CB-CG1 4.06Å; A31-V69 HydrophobicContact CB-CG2 3.96Å
32	V	50.9	Low	52.7	Low	47 Å²	47	74.1 Å²	74.1	29%	0.285	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-28.1	178.2	-174.2	0	0	0	0	111.2	S30 D34 M53 L64 V69	S30-V32 PolarHBondContact O-N 3.14Å; V32-D34 VanDerWaalsContact C-N 3.31Å; V32-D34 PolarHBondContact O-N 3.37Å; V32-M53 HydrophobicContact CG1-CE 4.12Å; V32-M53 HydrophobicContact CG2-CE 4.42Å; V32-L64 HydrophobicContact CG2-CB 3.59Å; V32-L64 HydrophobicContact CG2-CD1 4.22Å; V32-L64 HydrophobicContact CG2-CG 4.25Å; V32-V69 HydrophobicContact CG2-CG2 4.4Å
33	A	48	Very low	51.5	Low	62 Å²	62	80.2 Å²	80.2	51%	0.512	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.4	-174	0	0	0	0	0	113.7	S30	S30-A33 PolarHBondContact O-N 3.08Å
34	D	48.8	Very low	50.3	Low	71 Å²	71	82.7 Å²	82.7	38%	0.38	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-10.4	-170.3	-116.5	-3.6	0	0	0	115.2	V32	V32-D34 VanDerWaalsContact C-N 3.31Å; V32-D34 PolarHBondContact O-N 3.37Å
35	Y	44.9	Very low	49.4	Very low	15 Å²	15	83.9 Å²	83.9	6%	0.059	48%	0.475	C	S	.	.	H	α-helix	trans	-89.4	-37.8	-172.3	-155.6	-116.2	0	0	0	113.8	P17 W20 V41 L45	P17-Y35 WeakPolarHBondContact CD-OH 3.49Å; P17-Y35 HydrophobicContact CG-CE2 4.41Å; W20-Y35 HydrophobicContact CB-CD2 4.35Å; W20-Y35 HydrophobicContact CB-CE2 4.24Å; W20-Y35 AromaticContact CD1-CD2 3.38Å; W20-Y35 AromaticContact CD2-CD2 3.59Å; W20-Y35 HydrophobicContact CD2-CD2 3.59Å; W20-Y35 HydrophobicContact CD2-CE2 4.07Å; W20-Y35 HydrophobicContact CD2-CG 4.22Å; W20-Y35 AromaticContact CE2-CD2 3.41Å; W20-Y35 VanDerWaalsContact CE2-CD2 3.41Å; W20-Y35 AromaticContact CE2-CG 3.68Å; W20-Y35 HydrophobicContact CE3-CD2 4.44Å; W20-Y35 AromaticContact CG-CD2 3.51Å; W20-Y35 HydrophobicContact CG-CD2 3.51Å; W20-Y35 AromaticContact CG-CE2 3.85Å; W20-Y35 HydrophobicContact CG-CE2 3.85Å; W20-Y35 HydrophobicContact CH2-CG 4.41Å; W20-Y35 VanDerWaalsContact CZ2-CB 3.42Å; W20-Y35 HydrophobicContact CZ2-CD2 4.03Å; W20-Y35 AromaticContact CZ2-CG 3.81Å; W20-Y35 HydrophobicContact CZ2-CG 3.81Å; W20-Y35 AromaticContact NE1-CD2 3.32Å; W20-Y35 VanDerWaalsContact NE1-CD2 3.32Å; W20-Y35 AromaticContact NE1-CG 3.8Å; Y35-V41 HydrophobicContact CD1-CG2 4.32Å; Y35-V41 HydrophobicContact CE1-CB 4.38Å; Y35-V41 HydrophobicContact CE1-CG1 4.2Å; Y35-V41 HydrophobicContact CE1-CG2 4.03Å; Y35-L45 HydrophobicContact CD1-CD1 4.37Å; Y35-L45 HydrophobicContact CE1-CD1 4Å; Y35-L45 HydrophobicContact CE1-CD2 3.92Å; Y35-L45 HydrophobicContact CE1-CG 4.28Å
36	G	45.8	Very low	48.8	Very low	59 Å²	59	81.1 Å²	81.1	61%	0.608	47%	0.469	S	S	*	.	H	α-helix	trans	-70.4	-36.3	-178.2	0	0	0	0	0	113.1
37	E	47	Very low	48	Very low	176 Å²	176	80.6 Å²	80.6	82%	0.822	47%	0.472	S	S	*	.	H	α-helix	trans	-86.8	-26.6	-174.4	-74	-170.6	161.9	0	0	114.3
38	R	42.5	Very low	47.2	Very low	187 Å²	187	82.3 Å²	82.3	71%	0.706	47%	0.472	S	S	*	.	H	α-helix	trans	-89.4	-23.4	-174.2	-84.9	-175.7	174.3	-177	2.1	115.8
39	W	43.3	Very low	46.6	Very low	163 Å²	163	79 Å²	79	62%	0.617	44%	0.437	S	S	*	.	S	Bend	trans	-125.4	3.8	-164	-76.4	99.8	0	0	0	115.4	V41	W39-V41 HydrophobicContact CB-CG2 3.13Å; W39-V41 HydrophobicContact CG-CG2 4.33Å; W39-V41 PolarHBondContact O-N 2.97Å
40	D	44.1	Very low	46.3	Very low	151 Å²	151	78.7 Å²	78.7	81%	0.807	44%	0.44	S	S	*	.			trans	45.9	39.8	178.6	-152.6	9	0	0	0	112	G42	D40-G42 PolarHBondContact O-N 3.46Å
41	V	46.9	Very low	46.2	Very low	13 Å²	13	83.1 Å²	83.1	8%	0.079	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	25.4	-162.9	-146.2	0	0	0	0	113.1	Y35 W39 Q43 L44 L45	Y35-V41 HydrophobicContact CD1-CG2 4.32Å; Y35-V41 HydrophobicContact CE1-CB 4.38Å; Y35-V41 HydrophobicContact CE1-CG1 4.2Å; Y35-V41 HydrophobicContact CE1-CG2 4.03Å; W39-V41 HydrophobicContact CB-CG2 3.13Å; W39-V41 HydrophobicContact CG-CG2 4.33Å; W39-V41 PolarHBondContact O-N 2.97Å; V41-Q43 PolarHBondContact O-N 3.41Å; V41-Q43 VanDerWaalsContact O-N 3.11Å; V41-L44 HydrophobicContact CG1-CB 3.56Å; V41-L45 HydrophobicContact CB-CD1 3.92Å; V41-L45 HydrophobicContact CB-CG 4.18Å; V41-L45 HydrophobicContact CG1-CD1 3.96Å; V41-L45 HydrophobicContact CG1-CD2 4.42Å; V41-L45 HydrophobicContact CG1-CG 3.65Å
42	G	40.6	Very low	45.9	Very low	76 Å²	76	86.1 Å²	86.1	78%	0.784	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.4	172.1	0	0	0	0	0	112.6	D40	D40-G42 PolarHBondContact O-N 3.46Å
43	Q	39.9	Very low	45.5	Very low	186 Å²	186	86.4 Å²	86.4	87%	0.869	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-17.1	-173.9	-60.7	-172.3	13	0	0	115.5	V41	V41-Q43 PolarHBondContact O-N 3.41Å; V41-Q43 VanDerWaalsContact O-N 3.11Å
44	L	40.5	Very low	45.2	Very low	87 Å²	87	85.8 Å²	85.8	46%	0.455	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-4.1	-173.1	-75.8	163.6	0	0	0	113.6	D14 V41	D14-L44 WeakPolarHBondContact CA-O 3.34Å; V41-L44 HydrophobicContact CG1-CB 3.56Å
45	L	44.7	Very low	44.9	Very low	32 Å²	32	87.9 Å²	87.9	17%	0.168	47%	0.474	C	S	.	.	S	Bend	trans	-94.7	128.5	173	-72.2	167.5	0	0	0	107.5	Y35 V41 F49	Y35-L45 HydrophobicContact CD1-CD1 4.37Å; Y35-L45 HydrophobicContact CE1-CD1 4Å; Y35-L45 HydrophobicContact CE1-CD2 3.92Å; Y35-L45 HydrophobicContact CE1-CG 4.28Å; V41-L45 HydrophobicContact CB-CD1 3.92Å; V41-L45 HydrophobicContact CB-CG 4.18Å; V41-L45 HydrophobicContact CG1-CD1 3.96Å; V41-L45 HydrophobicContact CG1-CD2 4.42Å; V41-L45 HydrophobicContact CG1-CG 3.65Å; L45-F49 HydrophobicContact CB-CB 4.09Å; L45-F49 HydrophobicContact CB-CD1 3.83Å; L45-F49 HydrophobicContact CB-CG 4.19Å; L45-F49 HydrophobicContact CD1-CD1 3.53Å; L45-F49 HydrophobicContact CD1-CE1 3.68Å; L45-F49 HydrophobicContact CD2-CB 4.32Å; L45-F49 HydrophobicContact CD2-CD1 3.28Å; L45-F49 HydrophobicContact CD2-CD2 4.15Å; L45-F49 HydrophobicContact CD2-CE1 3.51Å; L45-F49 HydrophobicContact CD2-CE2 4.41Å; L45-F49 HydrophobicContact CD2-CG 3.64Å; L45-F49 HydrophobicContact CD2-CZ 4.1Å; L45-F49 HydrophobicContact CG-CD1 3.67Å; L45-F49 HydrophobicContact CG-CE1 4.09Å; L45-F49 HydrophobicContact CG-CG 4.3Å
46	S	48.7	Very low	44.8	Very low	34 Å²	34	91.5 Å²	91.5	24%	0.238	50%	0.495	C	S	.	.			trans	-43.9	139.9	169.4	167.1	0	0	0	0	109.5	E48 F49 G50	S46-E48 PolarHBondContact O-N 2.96Å; S46-E48 PolarHBondContact OG-N 3.37Å; S46-F49 WeakPolarHBondContact O-CA 3.34Å; S46-F49 VanDerWaalsContact O-CB 3.24Å; S46-F49 WeakPolarHBondContact O-CB 3.3Å; S46-F49 PolarHBondContact O-N 3.38Å; S46-G50 PolarHBondContact O-N 3.12Å; S46-G50 VanDerWaalsContact O-N 3.07Å
47	P	49.6	Very low	44.5	Very low	102 Å²	102	96 Å²	96	66%	0.662	49%	0.493	S	S	*	.	H	α-helix	trans	-51.6	-28.5	175.7	-26.6	33.4	0	0	0	112.9	K51	P47-K51 WeakPolarHBondContact O-CB 3.36Å; P47-K51 VanDerWaalsContact O-CG 3.26Å; P47-K51 WeakPolarHBondContact O-CG 3.31Å; P47-K51 PolarHBondContact O-N 3.44Å
48	E	48.3	Very low	44.3	Very low	112 Å²	112	95.8 Å²	95.8	52%	0.523	50%	0.498	S	S	.	.	H	α-helix	trans	-65.9	-37.9	172.8	-62.3	179.1	169.2	0	0	112.3	S46 K51 T52 R79	S46-E48 PolarHBondContact O-N 2.96Å; S46-E48 PolarHBondContact OG-N 3.37Å; E48-K51 PolarHBondContact O-N 3.04Å; E48-T52 PolarHBondContact O-N 3.49Å; E48-T52 PolarHBondContact O-OG1 2.97Å; E48-R79 IonicContact OE2-CZ 3.88Å; E48-R79 IonicContact OE2-NH1 2.63Å; E48-R79 PolarHBondContact OE2-NH1 3.47Å; E48-R79 IonicContact OE2-NH2 2.71Å
49	F	44.1	Very low	44.3	Very low	3 Å²	3	92.6 Å²	92.6	1%	0.013	50%	0.495	C	S	.	.	H	α-helix	trans	-69.5	-46.4	177.4	-169.7	-76.8	0	0	0	111.4	I16 L45 S46 K51 T52 M53 K72 E76	I16-F49 HydrophobicContact CD1-CD2 4.39Å; I16-F49 HydrophobicContact CD1-CE2 3.25Å; I16-F49 HydrophobicContact CD1-CZ 3.55Å; I16-F49 HydrophobicContact CG1-CD2 4.34Å; I16-F49 HydrophobicContact CG1-CE2 3.45Å; I16-F49 VanDerWaalsContact CG1-CE2 3.45Å; I16-F49 HydrophobicContact CG1-CZ 3.62Å; L45-F49 HydrophobicContact CB-CB 4.09Å; L45-F49 HydrophobicContact CB-CD1 3.83Å; L45-F49 HydrophobicContact CB-CG 4.19Å; L45-F49 HydrophobicContact CD1-CD1 3.53Å; L45-F49 HydrophobicContact CD1-CE1 3.68Å; L45-F49 HydrophobicContact CD2-CB 4.32Å; L45-F49 HydrophobicContact CD2-CD1 3.28Å; L45-F49 HydrophobicContact CD2-CD2 4.15Å; L45-F49 HydrophobicContact CD2-CE1 3.51Å; L45-F49 HydrophobicContact CD2-CE2 4.41Å; L45-F49 HydrophobicContact CD2-CG 3.64Å; L45-F49 HydrophobicContact CD2-CZ 4.1Å; L45-F49 HydrophobicContact CG-CD1 3.67Å; L45-F49 HydrophobicContact CG-CE1 4.09Å; L45-F49 HydrophobicContact CG-CG 4.3Å; S46-F49 WeakPolarHBondContact O-CA 3.34Å; S46-F49 VanDerWaalsContact O-CB 3.24Å; S46-F49 WeakPolarHBondContact O-CB 3.3Å; S46-F49 PolarHBondContact O-N 3.38Å; F49-K51 VanDerWaalsContact C-N 3.3Å; F49-K51 PolarHBondContact O-N 3.06Å; F49-T52 PolarHBondContact O-N 3.23Å; F49-T52 PolarHBondContact O-OG1 3.05Å; F49-M53 HydrophobicContact CD1-CG 3.82Å; F49-M53 HydrophobicContact CE1-CE 4.11Å; F49-M53 HydrophobicContact CE1-CG 3.52Å; F49-M53 HydrophobicContact CE1-SD 4.04Å; F49-M53 HydrophobicContact CZ-CE 4.46Å; F49-M53 HydrophobicContact CZ-CG 4.26Å; F49-M53 HydrophobicContact CZ-SD 4.28Å; F49-M53 VanDerWaalsContact O-CG 3.29Å; F49-M53 WeakPolarHBondContact O-CG 3.14Å; F49-M53 PolarHBondContact O-N 3.36Å; F49-K72 HydrophobicContact CD2-CD 4.09Å; F49-K72 HydrophobicContact CE2-CD 3.9Å; F49-K72 VanDerWaalsContact CG-NZ 3.26Å; F49-K72 PolarHBondContact O-NZ 3.39Å; F49-E76 VanDerWaalsContact CD2-OE1 3.26Å; F49-E76 WeakPolarHBondContact CD2-OE1 3.43Å
50	G	48.7	Very low	44.2	Very low	34 Å²	34	91.4 Å²	91.4	35%	0.351	50%	0.5	S	S	.	.	H	α-helix	trans	-59.3	-40.7	173.1	0	0	0	0	0	112	S46 M53 S54	S46-G50 PolarHBondContact O-N 3.12Å; S46-G50 VanDerWaalsContact O-N 3.07Å; G50-M53 PolarHBondContact O-N 3.4Å; G50-S54 WeakPolarHBondContact O-CB 3.44Å; G50-S54 PolarHBondContact O-N 2.77Å
51	K	49.6	Very low	44.1	Very low	133 Å²	133	91.9 Å²	91.9	58%	0.578	50%	0.502	S	S	*	.	H	α-helix	trans	-63	-47	172.8	-80.8	177.6	-179.9	-177.7	0	112.7	P47 E48 F49 M53 S54 D55	P47-K51 WeakPolarHBondContact O-CB 3.36Å; P47-K51 VanDerWaalsContact O-CG 3.26Å; P47-K51 WeakPolarHBondContact O-CG 3.31Å; P47-K51 PolarHBondContact O-N 3.44Å; E48-K51 PolarHBondContact O-N 3.04Å; F49-K51 VanDerWaalsContact C-N 3.3Å; F49-K51 PolarHBondContact O-N 3.06Å; K51-M53 VanDerWaalsContact C-N 3.27Å; K51-M53 PolarHBondContact O-N 3.4Å; K51-S54 CarbonylContact O-C 3.56Å; K51-S54 PolarHBondContact O-N 2.97Å; K51-D55 WeakPolarHBondContact O-CA 3.45Å; K51-D55 WeakPolarHBondContact O-CB 3.39Å; K51-D55 PolarHBondContact O-N 3.45Å
52	T	47	Very low	43.8	Very low	65 Å²	65	98.9 Å²	98.9	40%	0.399	53%	0.534	S	S	.	.	H	α-helix	trans	-67.9	-25.9	178.8	17.4	0	0	0	0	113.7	E48 F49 K72	E48-T52 PolarHBondContact O-N 3.49Å; E48-T52 PolarHBondContact O-OG1 2.97Å; F49-T52 PolarHBondContact O-N 3.23Å; F49-T52 PolarHBondContact O-OG1 3.05Å; T52-K72 VanDerWaalsContact OG1-CE 3.24Å; T52-K72 WeakPolarHBondContact OG1-CE 3.39Å; T52-K72 PolarHBondContact OG1-NZ 3.43Å
53	M	42.9	Very low	44.3	Very low	54 Å²	54	99.2 Å²	99.2	27%	0.266	52%	0.522	S	S	.	.	H	α-helix	trans	-78.3	-24.6	170.6	-64	-69.5	-97.5	0	0	112.2	V32 F49 G50 K51 L64	V32-M53 HydrophobicContact CG1-CE 4.12Å; V32-M53 HydrophobicContact CG2-CE 4.42Å; F49-M53 HydrophobicContact CD1-CG 3.82Å; F49-M53 HydrophobicContact CE1-CE 4.11Å; F49-M53 HydrophobicContact CE1-CG 3.52Å; F49-M53 HydrophobicContact CE1-SD 4.04Å; F49-M53 HydrophobicContact CZ-CE 4.46Å; F49-M53 HydrophobicContact CZ-CG 4.26Å; F49-M53 HydrophobicContact CZ-SD 4.28Å; F49-M53 VanDerWaalsContact O-CG 3.29Å; F49-M53 WeakPolarHBondContact O-CG 3.14Å; F49-M53 PolarHBondContact O-N 3.36Å; G50-M53 PolarHBondContact O-N 3.4Å; K51-M53 VanDerWaalsContact C-N 3.27Å; K51-M53 PolarHBondContact O-N 3.4Å; M53-L64 HydrophobicContact SD-CD1 3.34Å; M53-L64 WeakPolarHBondContact SD-CD1 3.11Å
54	S	40.8	Very low	44.8	Very low	49 Å²	49	92.4 Å²	92.4	34%	0.343	49%	0.492	S	S	.	.	H	α-helix	trans	-98.8	-27.1	-176.6	-166.4	0	0	0	0	113.9	G50 K51 N56 R57	G50-S54 WeakPolarHBondContact O-CB 3.44Å; G50-S54 PolarHBondContact O-N 2.77Å; K51-S54 CarbonylContact O-C 3.56Å; K51-S54 PolarHBondContact O-N 2.97Å; S54-N56 PolarHBondContact O-N 3.21Å; S54-R57 WeakPolarHBondContact O-CB 3.36Å; S54-R57 VanDerWaalsContact O-CG 3.28Å; S54-R57 WeakPolarHBondContact O-CG 3.06Å; S54-R57 PolarHBondContact O-N 3.25Å
55	D	42.4	Very low	45.7	Very low	114 Å²	114	90.3 Å²	90.3	61%	0.61	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.8	-178.8	-69.9	-19.2	0	0	0	111.4	K51	K51-D55 WeakPolarHBondContact O-CA 3.45Å; K51-D55 WeakPolarHBondContact O-CB 3.39Å; K51-D55 PolarHBondContact O-N 3.45Å
56	N	42.8	Very low	46.6	Very low	91 Å²	91	90.4 Å²	90.4	49%	0.487	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	10	165.5	-72.4	-29.1	0	0	0	112.7	S54 D58 D59	S54-N56 PolarHBondContact O-N 3.21Å; N56-D58 PolarHBondContact O-N 2.9Å; N56-D59 CarbonylContact O-C 3.6Å; N56-D59 PolarHBondContact O-N 3.41Å; N56-D59 VanDerWaalsContact O-N 3.08Å
57	R	41.1	Very low	47.2	Very low	155 Å²	155	89.5 Å²	89.5	59%	0.585	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-69.9	-14.3	176.3	-76.9	179.2	167.5	-172.1	-5.7	113.7	S54 D59 L60	S54-R57 WeakPolarHBondContact O-CB 3.36Å; S54-R57 VanDerWaalsContact O-CG 3.28Å; S54-R57 WeakPolarHBondContact O-CG 3.06Å; S54-R57 PolarHBondContact O-N 3.25Å; R57-D59 PolarHBondContact O-N 3.04Å; R57-L60 HydrophobicContact CB-CD1 4.29Å; R57-L60 HydrophobicContact CB-CG 4.21Å; R57-L60 HydrophobicContact CG-CD2 4.46Å; R57-L60 HydrophobicContact CG-CG 4.47Å; R57-L60 WeakPolarHBondContact O-CD1 3.37Å; R57-L60 WeakPolarHBondContact O-CG 3.31Å; R57-L60 PolarHBondContact O-N 2.95Å
58	D	41.9	Very low	47.9	Very low	170 Å²	170	86.2 Å²	86.2	91%	0.909	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-74.4	-8.1	170.6	-72.2	-23.1	0	0	0	112.4	N56	N56-D58 PolarHBondContact O-N 2.9Å
59	D	42.5	Very low	48.8	Very low	121 Å²	121	81.1 Å²	81.1	65%	0.647	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-118.2	43	172	-108.8	-23.7	0	0	0	111.5	N56 R57 N61 Q62	N56-D59 CarbonylContact O-C 3.6Å; N56-D59 PolarHBondContact O-N 3.41Å; N56-D59 VanDerWaalsContact O-N 3.08Å; R57-D59 PolarHBondContact O-N 3.04Å; D59-N61 PolarHBondContact O-N 2.72Å; D59-Q62 PolarHBondContact O-N 3.29Å; D59-Q62 VanDerWaalsContact O-N 3.13Å
60	L	40.8	Very low	50	Low	138 Å²	138	81 Å²	81	72%	0.723	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	4.4	-177.5	-95.8	159.1	0	0	0	117.2	R57	R57-L60 HydrophobicContact CB-CD1 4.29Å; R57-L60 HydrophobicContact CB-CG 4.21Å; R57-L60 HydrophobicContact CG-CD2 4.46Å; R57-L60 HydrophobicContact CG-CG 4.47Å; R57-L60 WeakPolarHBondContact O-CD1 3.37Å; R57-L60 WeakPolarHBondContact O-CG 3.31Å; R57-L60 PolarHBondContact O-N 2.95Å
61	N	41.8	Very low	51	Low	160 Å²	160	83.4 Å²	83.4	86%	0.856	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	3.6	177.1	-78.8	-28.3	0	0	0	114.8	D59	D59-N61 PolarHBondContact O-N 2.72Å
62	Q	41.8	Very low	52.1	Low	160 Å²	160	78.6 Å²	78.6	75%	0.748	41%	0.41	S	S	*	.	S	Bend	trans	-125.8	111.6	173.5	-70	-167.7	8.5	0	0	112.1	D59 L64	D59-Q62 PolarHBondContact O-N 3.29Å; D59-Q62 VanDerWaalsContact O-N 3.13Å; Q62-L64 PolarHBondContact O-N 3.41Å
63	P	49.5	Very low	53.3	Low	83 Å²	83	75.7 Å²	75.7	54%	0.539	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-59	138.1	172	23.5	-30.5	0	0	0	109.7	S30 S65	S30-P63 WeakPolarHBondContact OG-CB 3.27Å; P63-S65 PolarHBondContact O-N 3.21Å; P63-S65 VanDerWaalsContact O-N 3.14Å
64	L	50.8	Low	54.9	Low	43 Å²	43	73.1 Å²	73.1	23%	0.225	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-52	124.9	172.4	-71.6	168.8	0	0	0	108.6	V32 M53 Q62 F66 S68 V69	V32-L64 HydrophobicContact CG2-CB 3.59Å; V32-L64 HydrophobicContact CG2-CD1 4.22Å; V32-L64 HydrophobicContact CG2-CG 4.25Å; M53-L64 HydrophobicContact SD-CD1 3.34Å; M53-L64 WeakPolarHBondContact SD-CD1 3.11Å; Q62-L64 PolarHBondContact O-N 3.41Å; L64-F66 PolarHBondContact O-N 2.78Å; L64-S68 WeakPolarHBondContact CB-OG 3.21Å; L64-V69 HydrophobicContact CB-CG2 3.9Å; L64-V69 HydrophobicContact CD1-CG2 4.39Å
65	S	59.7	Low	56.6	Low	44 Å²	44	75 Å²	75	31%	0.308	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-57.6	142.9	177.8	72.3	0	0	0	0	108.6	P63 C67 S68 V69	P63-S65 PolarHBondContact O-N 3.21Å; P63-S65 VanDerWaalsContact O-N 3.14Å; S65-C67 PolarHBondContact O-N 3.24Å; S65-S68 PolarHBondContact N-OG 2.97Å; S65-S68 PolarHBondContact O-N 3.26Å; S65-S68 PolarHBondContact O-OG 3.11Å; S65-S68 PolarHBondContact OG-N 2.98Å; S65-V69 PolarHBondContact O-N 3.25Å
66	F	62.8	Low	58.3	Low	34 Å²	34	70.1 Å²	70.1	15%	0.149	36%	0.356	C	S	.	.	H	α-helix	trans	-44.5	-39	174	168.5	-100.2	0	0	0	111.7	Y25 A31 L64 V69 L70 F149	Y25-F66 HydrophobicContact CD2-CE1 4.26Å; Y25-F66 HydrophobicContact CD2-CZ 4.14Å; Y25-F66 HydrophobicContact CG-CZ 4.43Å; A31-F66 HydrophobicContact CB-CD2 4.32Å; L64-F66 PolarHBondContact O-N 2.78Å; F66-V69 PolarHBondContact O-N 3.25Å; F66-L70 HydrophobicContact CE1-CD2 3.74Å; F66-L70 HydrophobicContact CZ-CD2 3.91Å; F66-L70 VanDerWaalsContact O-CB 3.32Å; F66-L70 WeakPolarHBondContact O-CB 3.32Å; F66-L70 PolarHBondContact O-N 3.14Å; F66-F149 HydrophobicContact CZ-CE1 4.27Å; F66-F149 AromaticContact CZ-CZ 3.82Å; F66-F149 HydrophobicContact CZ-CZ 3.82Å
67	C	62.5	Low	59.8	Low	14 Å²	14	65.9 Å²	65.9	10%	0.095	33%	0.333	C	S	.	.	H	α-helix	trans	-59.1	-49	175.3	-67.4	0	0	0	0	113.4	S65 V69 L70 R71 F135 E140	S65-C67 PolarHBondContact O-N 3.24Å; C67-V69 VanDerWaalsContact C-N 3.3Å; C67-V69 PolarHBondContact O-N 2.82Å; C67-L70 PolarHBondContact O-N 3.16Å; C67-R71 WeakPolarHBondContact O-CB 3.48Å; C67-R71 PolarHBondContact O-N 3.07Å; C67-F135 HydrophobicContact CB-CZ 3.76Å; C67-F135 WeakPolarHBondContact O-CZ 3.42Å; C67-E140 HydrophobicContact CB-CB 3.95Å; C67-E140 HydrophobicContact CB-CG 3.78Å; C67-E140 PolarHBondContact SG-O 2.82Å
68	S	64.5	Low	61.7	Low	33 Å²	33	61.9 Å²	61.9	23%	0.231	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-39	179.2	67.3	0	0	0	0	112.6	L64 S65 K72	L64-S68 WeakPolarHBondContact CB-OG 3.21Å; S65-S68 PolarHBondContact N-OG 2.97Å; S65-S68 PolarHBondContact O-N 3.26Å; S65-S68 PolarHBondContact O-OG 3.11Å; S65-S68 PolarHBondContact OG-N 2.98Å; S68-K72 PolarHBondContact O-N 2.67Å
69	V	66.1	Low	63.5	Low	5 Å²	5	60.2 Å²	60.2	3%	0.03	30%	0.301	C	S	.	.	H	α-helix	trans	-69.4	-40.8	176.3	-175	0	0	0	0	110.9	I16 W20 L21 A31 V32 L64 S65 F66 C67 K72 R73	I16-V69 HydrophobicContact CD1-CG1 3.9Å; W20-V69 HydrophobicContact CH2-CG1 3.76Å; W20-V69 HydrophobicContact CZ3-CG1 3.6Å; L21-V69 HydrophobicContact CD2-CG1 3.85Å; A31-V69 HydrophobicContact CB-CB 4.01Å; A31-V69 HydrophobicContact CB-CG1 4.06Å; A31-V69 HydrophobicContact CB-CG2 3.96Å; V32-V69 HydrophobicContact CG2-CG2 4.4Å; L64-V69 HydrophobicContact CB-CG2 3.9Å; L64-V69 HydrophobicContact CD1-CG2 4.39Å; S65-V69 PolarHBondContact O-N 3.25Å; F66-V69 PolarHBondContact O-N 3.25Å; C67-V69 VanDerWaalsContact C-N 3.3Å; C67-V69 PolarHBondContact O-N 2.82Å; V69-K72 PolarHBondContact O-N 3.34Å; V69-R73 PolarHBondContact O-N 3.32Å
70	L	69.3	Low	65.1	Low	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-39.6	177.6	-168.2	60.4	0	0	0	112.7	L21 F66 C67 R73 L74 F135 F143 M152	L21-L70 HydrophobicContact CD1-CD1 3.95Å; L21-L70 HydrophobicContact CD2-CD1 4.32Å; F66-L70 HydrophobicContact CE1-CD2 3.74Å; F66-L70 HydrophobicContact CZ-CD2 3.91Å; F66-L70 VanDerWaalsContact O-CB 3.32Å; F66-L70 WeakPolarHBondContact O-CB 3.32Å; F66-L70 PolarHBondContact O-N 3.14Å; C67-L70 PolarHBondContact O-N 3.16Å; L70-R73 WeakPolarHBondContact O-CB 3.37Å; L70-R73 PolarHBondContact O-N 2.89Å; L70-L74 WeakPolarHBondContact O-CG 3.49Å; L70-L74 PolarHBondContact O-N 3.06Å; L70-F135 HydrophobicContact CB-CE2 4.24Å; L70-F135 HydrophobicContact CD2-CE2 4.16Å; L70-F135 HydrophobicContact CG-CE2 4.32Å; L70-F143 HydrophobicContact CD2-CB 4.37Å; L70-F143 HydrophobicContact CD2-CD1 3.18Å; L70-F143 HydrophobicContact CD2-CE1 3.6Å; L70-F143 HydrophobicContact CD2-CG 4Å; L70-F143 HydrophobicContact CG-CD1 4.28Å; L70-F143 HydrophobicContact CG-CE1 4.32Å; L70-M152 HydrophobicContact CD1-CE 3.58Å; L70-M152 HydrophobicContact CD1-SD 3.99Å; L70-M152 HydrophobicContact CD2-CE 4.23Å; L70-M152 HydrophobicContact CG-CE 4.04Å
71	R	71.4	Confident	67	Low	85 Å²	85	49.7 Å²	49.7	32%	0.321	24%	0.244	S	C	.	.	H	α-helix	trans	-56.9	-52.2	173.4	-174.1	-179.3	-72.2	145.4	2.7	110.6	C67 R73 L74 E75 F135	C67-R71 WeakPolarHBondContact O-CB 3.48Å; C67-R71 PolarHBondContact O-N 3.07Å; R71-R73 VanDerWaalsContact C-N 3.25Å; R71-R73 PolarHBondContact O-N 3.39Å; R71-L74 WeakPolarHBondContact O-CB 3.24Å; R71-L74 PolarHBondContact O-N 2.98Å; R71-E75 WeakPolarHBondContact CG-OE1 3.24Å; R71-E75 WeakPolarHBondContact O-CG 3.25Å; R71-E75 PolarHBondContact O-N 3.04Å; R71-F135 HydrophobicContact CB-CD1 3.92Å; R71-F135 HydrophobicContact CB-CE1 3.5Å; R71-F135 HydrophobicContact CB-CZ 3.97Å; R71-F135 HydrophobicContact CG-CD1 3.95Å; R71-F135 HydrophobicContact CG-CE1 3.96Å
72	K	71.5	Confident	68.8	Low	32 Å²	32	43.7 Å²	43.7	14%	0.139	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-38.8	-179.7	-173.1	176.6	175	-165.6	0	111.5	F49 T52 S68 V69 E75 E76	F49-K72 HydrophobicContact CD2-CD 4.09Å; F49-K72 HydrophobicContact CE2-CD 3.9Å; F49-K72 VanDerWaalsContact CG-NZ 3.26Å; F49-K72 PolarHBondContact O-NZ 3.39Å; T52-K72 VanDerWaalsContact OG1-CE 3.24Å; T52-K72 WeakPolarHBondContact OG1-CE 3.39Å; T52-K72 PolarHBondContact OG1-NZ 3.43Å; S68-K72 PolarHBondContact O-N 2.67Å; V69-K72 PolarHBondContact O-N 3.34Å; K72-E75 PolarHBondContact O-N 3.37Å; K72-E76 WeakPolarHBondContact O-CB 2.96Å; K72-E76 VanDerWaalsContact O-CG 3.3Å; K72-E76 WeakPolarHBondContact O-CG 3.37Å; K72-E76 PolarHBondContact O-N 3.39Å
73	R	72.9	Confident	70.7	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-48.1	171.9	-176	79.6	-172.5	121.1	-9.1	112.3	I16 L21 V69 L70 R71 E75 E76 L77	I16-R73 PolarHBondContact O-NE 2.85Å; I16-R73 PolarHBondContact O-NH2 3.48Å; L21-R73 HydrophobicContact CD1-CB 3.59Å; L21-R73 HydrophobicContact CD1-CG 3.32Å; V69-R73 PolarHBondContact O-N 3.32Å; L70-R73 WeakPolarHBondContact O-CB 3.37Å; L70-R73 PolarHBondContact O-N 2.89Å; R71-R73 VanDerWaalsContact C-N 3.25Å; R71-R73 PolarHBondContact O-N 3.39Å; R73-E75 VanDerWaalsContact C-N 3.27Å; R73-E75 PolarHBondContact O-N 2.64Å; R73-E76 IonicContact NH1-OE2 3.36Å; R73-E76 PolarHBondContact NH1-OE2 3.44Å; R73-E76 WeakPolarHBondContact O-CB 2.84Å; R73-E76 PolarHBondContact O-N 2.92Å; R73-L77 HydrophobicContact CG-CD1 4.13Å; R73-L77 HydrophobicContact CG-CG 4.38Å; R73-L77 WeakPolarHBondContact O-CB 3.47Å; R73-L77 WeakPolarHBondContact O-CG 3.41Å; R73-L77 PolarHBondContact O-N 3.35Å
74	L	75.4	Confident	72.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-39.1	179.4	-73.6	168.7	0	0	0	111.3	L70 R71 L77 K78 L128 L131 L132 F135 F143 M152	L70-L74 WeakPolarHBondContact O-CG 3.49Å; L70-L74 PolarHBondContact O-N 3.06Å; R71-L74 WeakPolarHBondContact O-CB 3.24Å; R71-L74 PolarHBondContact O-N 2.98Å; L74-L77 PolarHBondContact O-N 3.5Å; L74-K78 WeakPolarHBondContact O-CB 3.42Å; L74-K78 PolarHBondContact O-N 2.88Å; L74-L128 HydrophobicContact CD2-CD1 4.04Å; L74-L131 HydrophobicContact CD2-CB 4.35Å; L74-L131 HydrophobicContact CD2-CD1 4.37Å; L74-L132 HydrophobicContact CB-CD2 3.52Å; L74-L132 HydrophobicContact CB-CG 4.15Å; L74-F135 HydrophobicContact CD1-CB 4.4Å; L74-F135 HydrophobicContact CD1-CD2 4.02Å; L74-F135 HydrophobicContact CD1-CG 4.34Å; L74-F143 HydrophobicContact CD1-CE1 4.46Å; L74-F143 HydrophobicContact CD1-CE2 4.23Å; L74-F143 HydrophobicContact CD1-CZ 3.82Å; L74-M152 HydrophobicContact CD1-CE 4.22Å; L74-M152 HydrophobicContact CD2-CE 3.68Å; L74-M152 HydrophobicContact CD2-CG 3.86Å; L74-M152 HydrophobicContact CD2-SD 3.67Å; L74-M152 HydrophobicContact CG-CE 4.06Å; L74-M152 HydrophobicContact CG-SD 4.26Å
75	E	78.2	Confident	73.6	Confident	90 Å²	90	38 Å²	38	42%	0.421	17%	0.171	S	C	.	.	H	α-helix	trans	-65.6	-42.5	175.2	-70.4	170.2	178.2	0	0	112.1	R71 K72 R73 K78 R79 L132	R71-E75 WeakPolarHBondContact CG-OE1 3.24Å; R71-E75 WeakPolarHBondContact O-CG 3.25Å; R71-E75 PolarHBondContact O-N 3.04Å; K72-E75 PolarHBondContact O-N 3.37Å; R73-E75 VanDerWaalsContact C-N 3.27Å; R73-E75 PolarHBondContact O-N 2.64Å; E75-K78 PolarHBondContact O-N 3.49Å; E75-R79 WeakPolarHBondContact O-CG 2.85Å; E75-R79 PolarHBondContact O-N 2.87Å; E75-L132 HydrophobicContact CG-CD2 4.04Å
76	E	76.2	Confident	74.7	Confident	10 Å²	10	40.3 Å²	40.3	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-45.7	172.6	-75.4	167.9	-170.6	0	0	112.3	L15 F49 K72 R73 K78 R79 E80	L15-E76 HydrophobicContact CD2-CB 3.76Å; L15-E76 HydrophobicContact CD2-CG 4.28Å; F49-E76 VanDerWaalsContact CD2-OE1 3.26Å; F49-E76 WeakPolarHBondContact CD2-OE1 3.43Å; K72-E76 WeakPolarHBondContact O-CB 2.96Å; K72-E76 VanDerWaalsContact O-CG 3.3Å; K72-E76 WeakPolarHBondContact O-CG 3.37Å; K72-E76 PolarHBondContact O-N 3.39Å; R73-E76 IonicContact NH1-OE2 3.36Å; R73-E76 PolarHBondContact NH1-OE2 3.44Å; R73-E76 WeakPolarHBondContact O-CB 2.84Å; R73-E76 PolarHBondContact O-N 2.92Å; E76-K78 PolarHBondContact O-N 2.97Å; E76-R79 PolarHBondContact O-N 2.6Å; E76-E80 WeakPolarHBondContact O-CB 3.27Å; E76-E80 PolarHBondContact O-N 2.65Å
77	L	75.2	Confident	75.5	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-39.8	174.9	-74.2	173.2	0	0	0	110.4	R73 L74 D81 M152 Q159	R73-L77 HydrophobicContact CG-CD1 4.13Å; R73-L77 HydrophobicContact CG-CG 4.38Å; R73-L77 WeakPolarHBondContact O-CB 3.47Å; R73-L77 WeakPolarHBondContact O-CG 3.41Å; R73-L77 PolarHBondContact O-N 3.35Å; L74-L77 PolarHBondContact O-N 3.5Å; L77-D81 VanDerWaalsContact O-CB 3.26Å; L77-D81 WeakPolarHBondContact O-CB 3.33Å; L77-D81 PolarHBondContact O-N 2.99Å; L77-M152 HydrophobicContact CD1-CG 4.47Å; L77-M152 HydrophobicContact CD1-SD 4.45Å; L77-Q159 PolarHBondContact O-NE2 3.22Å
78	K	80.2	Confident	76.2	Confident	71 Å²	71	39.5 Å²	39.5	31%	0.309	18%	0.178	S	C	.	.	H	α-helix	trans	-65.7	-48.6	176.1	-174.1	-174.1	178.4	-57.3	0	112.2	L74 E75 E76 E80 D81 D82 L128 L132	L74-K78 WeakPolarHBondContact O-CB 3.42Å; L74-K78 PolarHBondContact O-N 2.88Å; E75-K78 PolarHBondContact O-N 3.49Å; E76-K78 PolarHBondContact O-N 2.97Å; K78-E80 VanDerWaalsContact C-N 3.28Å; K78-E80 PolarHBondContact O-N 2.77Å; K78-D81 PolarHBondContact O-N 2.89Å; K78-D82 IonicContact NZ-OD1 3.47Å; K78-D82 IonicContact NZ-OD2 3.42Å; K78-D82 PolarHBondContact NZ-OD2 3.37Å; K78-D82 WeakPolarHBondContact O-CB 3.47Å; K78-D82 VanDerWaalsContact O-CG 3.3Å; K78-D82 PolarHBondContact O-N 3.36Å; K78-L128 VanDerWaalsContact CA-CD2 3.42Å; K78-L128 HydrophobicContact CB-CD2 3.72Å; K78-L128 HydrophobicContact CB-CG 4.16Å; K78-L128 HydrophobicContact CG-CD2 4.15Å; K78-L132 HydrophobicContact CB-CD1 3.96Å; K78-L132 HydrophobicContact CD-CD1 3.51Å; K78-L132 HydrophobicContact CG-CD1 4.22Å
79	R	80.1	Confident	77.1	Confident	136 Å²	136	44.5 Å²	44.5	51%	0.513	19%	0.192	S	C	.	.	H	α-helix	trans	-57.5	-43.9	178.2	-74.6	-170	-69.3	171	0.1	111.3	E48 E75 E76 R83	E48-R79 IonicContact OE2-CZ 3.88Å; E48-R79 IonicContact OE2-NH1 2.63Å; E48-R79 PolarHBondContact OE2-NH1 3.47Å; E48-R79 IonicContact OE2-NH2 2.71Å; E75-R79 WeakPolarHBondContact O-CG 2.85Å; E75-R79 PolarHBondContact O-N 2.87Å; E76-R79 PolarHBondContact O-N 2.6Å; R79-R83 WeakPolarHBondContact O-CB 3.5Å; R79-R83 PolarHBondContact O-N 3.31Å
80	E	77.2	Confident	77.9	Confident	35 Å²	35	47.7 Å²	47.7	16%	0.164	22%	0.215	C	C	.	.	H	α-helix	trans	-71.8	-40.4	-178.9	-175.2	60.4	-170.4	0	0	112.3	L15 E76 K78 R83 L84	L15-E80 HydrophobicContact CD1-CB 4.41Å; L15-E80 HydrophobicContact CD1-CG 4.24Å; E76-E80 WeakPolarHBondContact O-CB 3.27Å; E76-E80 PolarHBondContact O-N 2.65Å; K78-E80 VanDerWaalsContact C-N 3.28Å; K78-E80 PolarHBondContact O-N 2.77Å; E80-R83 PolarHBondContact O-N 2.86Å; E80-R83 IonicContact OE1-CZ 3.95Å; E80-R83 IonicContact OE1-NE 2.65Å; E80-R83 PolarHBondContact OE1-NE 2.85Å; E80-R83 IonicContact OE1-NH2 3.81Å; E80-R83 PolarHBondContact OE1-NH2 3.37Å; E80-R83 IonicContact OE2-CZ 2.77Å; E80-R83 IonicContact OE2-NE 3.1Å; E80-R83 PolarHBondContact OE2-NE 3.4Å; E80-R83 IonicContact OE2-NH2 3.6Å; E80-L84 HydrophobicContact CG-CD1 3.91Å; E80-L84 HydrophobicContact CG-CG 4.38Å; E80-L84 WeakPolarHBondContact O-CB 3.49Å; E80-L84 VanDerWaalsContact O-CG 3.31Å; E80-L84 WeakPolarHBondContact O-CG 3.28Å; E80-L84 PolarHBondContact O-N 3.31Å
81	D	80.2	Confident	78.2	Confident	2 Å²	2	49 Å²	49	1%	0.011	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-43.6	175	-173	79	0	0	0	111.6	L77 K78 R83 L84 W85 R125 L128 Q158 Q159	L77-D81 VanDerWaalsContact O-CB 3.26Å; L77-D81 WeakPolarHBondContact O-CB 3.33Å; L77-D81 PolarHBondContact O-N 2.99Å; K78-D81 PolarHBondContact O-N 2.89Å; D81-R83 PolarHBondContact O-N 2.7Å; D81-L84 PolarHBondContact O-N 2.88Å; D81-W85 WeakPolarHBondContact O-CB 2.93Å; D81-W85 PolarHBondContact O-N 3.25Å; D81-R125 WeakPolarHBondContact OD2-CD 3.49Å; D81-R125 WeakPolarHBondContact OD2-CG 3.38Å; D81-L128 HydrophobicContact CB-CD2 4.43Å; D81-Q158 PolarHBondContact OD1-NE2 3.27Å; D81-Q159 HydrophobicContact CB-CG 4.17Å
82	D	80.1	Confident	78.5	Confident	34 Å²	34	45.8 Å²	45.8	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-49.2	173.9	-75.3	-31.7	0	0	0	111	K78 W85 D86 R125	K78-D82 IonicContact NZ-OD1 3.47Å; K78-D82 IonicContact NZ-OD2 3.42Å; K78-D82 PolarHBondContact NZ-OD2 3.37Å; K78-D82 WeakPolarHBondContact O-CB 3.47Å; K78-D82 VanDerWaalsContact O-CG 3.3Å; K78-D82 PolarHBondContact O-N 3.36Å; D82-W85 PolarHBondContact O-N 3.28Å; D82-D86 WeakPolarHBondContact O-CB 3.1Å; D82-D86 VanDerWaalsContact O-CG 3.31Å; D82-D86 PolarHBondContact O-N 3.42Å; D82-R125 IonicContact OD1-CZ 3.23Å; D82-R125 VanDerWaalsContact OD1-CZ 3.23Å; D82-R125 IonicContact OD1-NH1 3.49Å; D82-R125 PolarHBondContact OD1-NH1 2.98Å; D82-R125 IonicContact OD1-NH2 2.64Å; D82-R125 PolarHBondContact OD1-NH2 3.4Å
83	R	81.7	Confident	78.9	Confident	132 Å²	132	48.5 Å²	48.5	50%	0.498	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-48.2	179.8	-171.1	-169.4	74.5	78.8	-1.4	112.2	R79 E80 D81 S87	R79-R83 WeakPolarHBondContact O-CB 3.5Å; R79-R83 PolarHBondContact O-N 3.31Å; E80-R83 PolarHBondContact O-N 2.86Å; E80-R83 IonicContact OE1-CZ 3.95Å; E80-R83 IonicContact OE1-NE 2.65Å; E80-R83 PolarHBondContact OE1-NE 2.85Å; E80-R83 IonicContact OE1-NH2 3.81Å; E80-R83 PolarHBondContact OE1-NH2 3.37Å; E80-R83 IonicContact OE2-CZ 2.77Å; E80-R83 IonicContact OE2-NE 3.1Å; E80-R83 PolarHBondContact OE2-NE 3.4Å; E80-R83 IonicContact OE2-NH2 3.6Å; D81-R83 PolarHBondContact O-N 2.7Å; R83-S87 VanDerWaalsContact O-CB 3.24Å; R83-S87 WeakPolarHBondContact O-CB 3.36Å; R83-S87 PolarHBondContact O-N 3Å
84	L	77.8	Confident	79.1	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-68.1	-40.6	-178.8	-73.2	171.9	0	0	0	111.6	E80 D81 S87 A88 Q159 L162 M163	E80-L84 HydrophobicContact CG-CD1 3.91Å; E80-L84 HydrophobicContact CG-CG 4.38Å; E80-L84 WeakPolarHBondContact O-CB 3.49Å; E80-L84 VanDerWaalsContact O-CG 3.31Å; E80-L84 WeakPolarHBondContact O-CG 3.28Å; E80-L84 PolarHBondContact O-N 3.31Å; D81-L84 PolarHBondContact O-N 2.88Å; L84-S87 PolarHBondContact O-N 2.9Å; L84-A88 VanDerWaalsContact O-CB 3.29Å; L84-A88 WeakPolarHBondContact O-CB 3.33Å; L84-A88 PolarHBondContact O-N 3.17Å; L84-Q159 HydrophobicContact CD1-CB 3.74Å; L84-Q159 HydrophobicContact CD1-CG 4.2Å; L84-Q159 WeakPolarHBondContact CD1-O 3.25Å; L84-L162 HydrophobicContact CB-CB 4.08Å; L84-L162 HydrophobicContact CB-CD1 4.31Å; L84-M163 HydrophobicContact CD2-CB 4.1Å
85	W	81.9	Confident	79	Confident	28 Å²	28	52.7 Å²	52.7	11%	0.106	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-50.3	176.2	178.9	-81.5	0	0	0	111.8	D81 D82 S87 A88 R89 F118 K122 L162	D81-W85 WeakPolarHBondContact O-CB 2.93Å; D81-W85 PolarHBondContact O-N 3.25Å; D82-W85 PolarHBondContact O-N 3.28Å; W85-S87 VanDerWaalsContact C-N 3.3Å; W85-S87 PolarHBondContact O-N 2.93Å; W85-A88 PolarHBondContact O-N 3.46Å; W85-R89 VanDerWaalsContact O-CB 3.24Å; W85-R89 WeakPolarHBondContact O-CB 3.37Å; W85-R89 PolarHBondContact O-N 3.27Å; W85-F118 HydrophobicContact CD2-CD1 4.25Å; W85-F118 HydrophobicContact CE3-CD1 4.07Å; W85-F118 VanDerWaalsContact CH2-CA 3.46Å; W85-F118 HydrophobicContact CH2-CB 3.65Å; W85-F118 AromaticContact CH2-CD1 3.6Å; W85-F118 HydrophobicContact CH2-CD1 3.6Å; W85-F118 HydrophobicContact CH2-CG 4.02Å; W85-F118 WeakPolarHBondContact CH2-O 3.35Å; W85-F118 HydrophobicContact CZ2-CB 4.15Å; W85-F118 AromaticContact CZ2-CD1 3.76Å; W85-F118 HydrophobicContact CZ2-CD1 3.76Å; W85-F118 HydrophobicContact CZ2-CG 4.21Å; W85-F118 HydrophobicContact CZ3-CB 4.31Å; W85-F118 AromaticContact CZ3-CD1 3.73Å; W85-F118 HydrophobicContact CZ3-CD1 3.73Å; W85-F118 HydrophobicContact CZ3-CG 4.49Å; W85-K122 HydrophobicContact CH2-CB 4.27Å; W85-L162 HydrophobicContact CB-CD1 4.4Å; W85-L162 HydrophobicContact CE3-CD1 4.3Å; W85-L162 HydrophobicContact CE3-CD2 4.39Å
86	D	83.6	Confident	78.6	Confident	92 Å²	92	50.8 Å²	50.8	49%	0.492	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-39.2	-179.4	-72.8	-17.3	0	0	0	111.1	D82 S90	D82-D86 WeakPolarHBondContact O-CB 3.1Å; D82-D86 VanDerWaalsContact O-CG 3.31Å; D82-D86 PolarHBondContact O-N 3.42Å; D86-S90 VanDerWaalsContact O-CB 3.27Å; D86-S90 WeakPolarHBondContact O-CB 3.43Å; D86-S90 PolarHBondContact O-N 3.49Å
87	S	80.4	Confident	78.4	Confident	31 Å²	31	56.8 Å²	56.8	22%	0.217	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-51.8	174	-172.6	0	0	0	0	112.2	R83 L84 W85 R89 S90 E91 H166	R83-S87 VanDerWaalsContact O-CB 3.24Å; R83-S87 WeakPolarHBondContact O-CB 3.36Å; R83-S87 PolarHBondContact O-N 3Å; L84-S87 PolarHBondContact O-N 2.9Å; W85-S87 VanDerWaalsContact C-N 3.3Å; W85-S87 PolarHBondContact O-N 2.93Å; S87-R89 VanDerWaalsContact C-N 3.32Å; S87-R89 PolarHBondContact O-N 3.3Å; S87-S90 PolarHBondContact O-N 2.91Å; S87-E91 WeakPolarHBondContact O-CB 3.24Å; S87-E91 WeakPolarHBondContact O-CG 3.29Å; S87-E91 PolarHBondContact O-N 2.94Å; S87-H166 PolarHBondContact OG-CE1 3.43Å; S87-H166 PolarHBondContact OG-ND1 3.21Å
88	A	76.9	Confident	78	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-38.7	179.2	0	0	0	0	0	112.3	L84 W85 F92 F118 L162 L165	L84-A88 VanDerWaalsContact O-CB 3.29Å; L84-A88 WeakPolarHBondContact O-CB 3.33Å; L84-A88 PolarHBondContact O-N 3.17Å; W85-A88 PolarHBondContact O-N 3.46Å; A88-F92 WeakPolarHBondContact O-CB 3.33Å; A88-F92 PolarHBondContact O-N 2.71Å; A88-F118 HydrophobicContact CB-CE1 4.5Å; A88-L162 HydrophobicContact CB-CD2 4.14Å; A88-L165 HydrophobicContact CB-CD2 4.24Å
89	R	82.4	Confident	77.2	Confident	138 Å²	138	62.7 Å²	62.7	52%	0.521	29%	0.293	S	S	.	.	H	α-helix	trans	-66.9	-45	176.4	-173.3	180	-176.8	-170.8	2.1	112.2	W85 S87 E91 F92 L93 F118	W85-R89 VanDerWaalsContact O-CB 3.24Å; W85-R89 WeakPolarHBondContact O-CB 3.37Å; W85-R89 PolarHBondContact O-N 3.27Å; S87-R89 VanDerWaalsContact C-N 3.32Å; S87-R89 PolarHBondContact O-N 3.3Å; R89-E91 VanDerWaalsContact C-N 3.32Å; R89-E91 PolarHBondContact O-N 2.94Å; R89-F92 PolarHBondContact O-N 3.46Å; R89-L93 HydrophobicContact CG-CD1 4.44Å; R89-L93 WeakPolarHBondContact O-CG 3.48Å; R89-L93 PolarHBondContact O-N 3.28Å; R89-F118 HydrophobicContact CB-CE1 4.35Å; R89-F118 HydrophobicContact CB-CZ 4.06Å; R89-F118 HydrophobicContact CG-CZ 4.47Å
90	S	82.4	Confident	76.4	Confident	72 Å²	72	59.4 Å²	59.4	50%	0.503	29%	0.289	S	S	.	.	H	α-helix	trans	-60	-45.2	176.4	-177.5	0	0	0	0	111	D86 S87 L93 R94	D86-S90 VanDerWaalsContact O-CB 3.27Å; D86-S90 WeakPolarHBondContact O-CB 3.43Å; D86-S90 PolarHBondContact O-N 3.49Å; S87-S90 PolarHBondContact O-N 2.91Å; S90-L93 PolarHBondContact O-N 3.2Å; S90-R94 WeakPolarHBondContact O-CB 3.5Å; S90-R94 PolarHBondContact O-N 2.84Å
91	E	76.8	Confident	75.8	Confident	28 Å²	28	63.6 Å²	63.6	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-65.4	-40.5	178.8	-76.7	-58.4	143.9	0	0	113.3	S87 R89 R94 Q95 L169	S87-E91 WeakPolarHBondContact O-CB 3.24Å; S87-E91 WeakPolarHBondContact O-CG 3.29Å; S87-E91 PolarHBondContact O-N 2.94Å; R89-E91 VanDerWaalsContact C-N 3.32Å; R89-E91 PolarHBondContact O-N 2.94Å; E91-R94 WeakPolarHBondContact O-CB 3.42Å; E91-R94 PolarHBondContact O-N 3.09Å; E91-R94 IonicContact OE1-CZ 2.86Å; E91-R94 IonicContact OE1-NE 3.37Å; E91-R94 PolarHBondContact OE1-NE 3.07Å; E91-R94 IonicContact OE1-NH2 3.47Å; E91-R94 PolarHBondContact OE1-NH2 2.84Å; E91-R94 IonicContact OE2-CZ 3.95Å; E91-R94 IonicContact OE2-NE 2.89Å; E91-R94 PolarHBondContact OE2-NE 3.45Å; E91-R94 IonicContact OE2-NH2 3.71Å; E91-R94 PolarHBondContact OE2-NH2 3.33Å; E91-Q95 WeakPolarHBondContact O-CG 3.45Å; E91-Q95 PolarHBondContact O-N 3.28Å; E91-L169 HydrophobicContact CB-CB 4.24Å; E91-L169 HydrophobicContact CB-CD1 3.7Å
92	F	78.4	Confident	75	Confident	17 Å²	17	72.7 Å²	72.7	8%	0.075	36%	0.362	C	S	.	.	H	α-helix	trans	-60.4	-47.5	173.9	173.9	-118.5	0	0	0	112.5	A88 R89 R94 Q95 Q96 I110 N111 Y114 F118	A88-F92 WeakPolarHBondContact O-CB 3.33Å; A88-F92 PolarHBondContact O-N 2.71Å; R89-F92 PolarHBondContact O-N 3.46Å; F92-R94 VanDerWaalsContact C-N 3.32Å; F92-R94 PolarHBondContact O-N 3.33Å; F92-Q95 PolarHBondContact O-N 2.95Å; F92-Q96 HydrophobicContact CE2-CG 4.32Å; F92-Q96 HydrophobicContact CZ-CG 4.43Å; F92-Q96 PolarHBondContact O-N 3.01Å; F92-I110 HydrophobicContact CD2-CG2 4.21Å; F92-I110 HydrophobicContact CE2-CG2 3.98Å; F92-N111 WeakPolarHBondContact CE2-OD1 3.3Å; F92-N111 WeakPolarHBondContact CZ-OD1 3.5Å; F92-Y114 HydrophobicContact CB-CD1 3.7Å; F92-Y114 HydrophobicContact CB-CE1 3.59Å; F92-Y114 HydrophobicContact CB-CG 4.29Å; F92-Y114 HydrophobicContact CD1-CD1 4.24Å; F92-Y114 HydrophobicContact CD1-CG 4.24Å; F92-Y114 AromaticContact CD2-CD1 3.55Å; F92-Y114 HydrophobicContact CD2-CD1 3.55Å; F92-Y114 AromaticContact CD2-CD2 3.12Å; F92-Y114 HydrophobicContact CD2-CD2 3.12Å; F92-Y114 AromaticContact CD2-CE1 3.81Å; F92-Y114 HydrophobicContact CD2-CE1 3.81Å; F92-Y114 AromaticContact CD2-CE2 3.54Å; F92-Y114 HydrophobicContact CD2-CE2 3.54Å; F92-Y114 AromaticContact CD2-CG 3.22Å; F92-Y114 HydrophobicContact CD2-CG 3.22Å; F92-Y114 AromaticContact CD2-CZ 3.88Å; F92-Y114 HydrophobicContact CE1-CG 4.33Å; F92-Y114 HydrophobicContact CE2-CD1 4.13Å; F92-Y114 AromaticContact CE2-CD2 3.17Å; F92-Y114 HydrophobicContact CE2-CD2 3.17Å; F92-Y114 AromaticContact CE2-CE2 3.97Å; F92-Y114 HydrophobicContact CE2-CE2 3.97Å; F92-Y114 AromaticContact CE2-CG 3.35Å; F92-Y114 HydrophobicContact CE2-CG 3.35Å; F92-Y114 AromaticContact CG-CD1 3.57Å; F92-Y114 HydrophobicContact CG-CD1 3.57Å; F92-Y114 HydrophobicContact CG-CD2 4.03Å; F92-Y114 AromaticContact CG-CE1 3.89Å; F92-Y114 HydrophobicContact CG-CE1 3.89Å; F92-Y114 HydrophobicContact CG-CE2 4.44Å; F92-Y114 AromaticContact CG-CG 3.67Å; F92-Y114 HydrophobicContact CG-CG 3.67Å; F92-Y114 HydrophobicContact CZ-CD2 4.08Å; F92-Y114 AromaticContact CZ-CG 3.87Å; F92-Y114 HydrophobicContact CZ-CG 3.87Å; F92-F118 AromaticContact CD1-CE2 3.97Å; F92-F118 HydrophobicContact CD1-CE2 3.97Å; F92-F118 HydrophobicContact CE1-CE2 4.39Å; F92-F118 HydrophobicContact CG-CE2 4.39Å
93	L	79.4	Confident	74.4	Confident	89 Å²	89	75 Å²	75	47%	0.466	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-44.7	177.3	-70.8	173	0	0	0	111	R89 S90 Q95 Q96 D97	R89-L93 HydrophobicContact CG-CD1 4.44Å; R89-L93 WeakPolarHBondContact O-CG 3.48Å; R89-L93 PolarHBondContact O-N 3.28Å; S90-L93 PolarHBondContact O-N 3.2Å; L93-Q95 VanDerWaalsContact C-N 3.33Å; L93-Q95 PolarHBondContact O-N 3.03Å; L93-Q96 WeakPolarHBondContact O-CB 3.48Å; L93-Q96 PolarHBondContact O-N 3.34Å; L93-Q96 VanDerWaalsContact O-N 3.12Å; L93-D97 PolarHBondContact O-N 2.89Å
94	R	76.8	Confident	73.6	Confident	66 Å²	66	75.8 Å²	75.8	25%	0.249	38%	0.381	C	S	.	.	H	α-helix	trans	-55.4	-47.6	175.2	-170	175.8	70	131.8	7.9	111.3	S90 E91 F92 Q96 D97 F98 E173	S90-R94 WeakPolarHBondContact O-CB 3.5Å; S90-R94 PolarHBondContact O-N 2.84Å; E91-R94 WeakPolarHBondContact O-CB 3.42Å; E91-R94 PolarHBondContact O-N 3.09Å; E91-R94 IonicContact OE1-CZ 2.86Å; E91-R94 IonicContact OE1-NE 3.37Å; E91-R94 PolarHBondContact OE1-NE 3.07Å; E91-R94 IonicContact OE1-NH2 3.47Å; E91-R94 PolarHBondContact OE1-NH2 2.84Å; E91-R94 IonicContact OE2-CZ 3.95Å; E91-R94 IonicContact OE2-NE 2.89Å; E91-R94 PolarHBondContact OE2-NE 3.45Å; E91-R94 IonicContact OE2-NH2 3.71Å; E91-R94 PolarHBondContact OE2-NH2 3.33Å; F92-R94 VanDerWaalsContact C-N 3.32Å; F92-R94 PolarHBondContact O-N 3.33Å; R94-Q96 VanDerWaalsContact C-N 3.33Å; R94-Q96 PolarHBondContact O-N 3.12Å; R94-D97 PolarHBondContact O-N 3.45Å; R94-F98 HydrophobicContact CG-CD2 4.02Å; R94-F98 HydrophobicContact CG-CE2 3.77Å; R94-F98 WeakPolarHBondContact O-CD2 3.48Å; R94-F98 PolarHBondContact O-N 2.63Å; R94-E173 IonicContact CZ-OE1 3.7Å; R94-E173 IonicContact CZ-OE2 3.66Å; R94-E173 IonicContact NH1-OE1 3.89Å; R94-E173 PolarHBondContact NH1-OE1 2.99Å; R94-E173 IonicContact NH1-OE2 3.58Å; R94-E173 PolarHBondContact NH1-OE2 2.66Å; R94-E173 IonicContact NH2-OE1 2.87Å; R94-E173 IonicContact NH2-OE2 3.49Å; R94-E173 PolarHBondContact NH2-OE2 2.98Å
95	Q	72	Confident	73.1	Confident	26 Å²	26	81.6 Å²	81.6	12%	0.121	41%	0.412	C	S	.	.	H	α-helix	trans	-63	-37.3	177.7	-72.6	-157.8	-7.3	0	0	113.6	E91 F92 L93 D97 F98 L99 L169 S172	E91-Q95 WeakPolarHBondContact O-CG 3.45Å; E91-Q95 PolarHBondContact O-N 3.28Å; F92-Q95 PolarHBondContact O-N 2.95Å; L93-Q95 VanDerWaalsContact C-N 3.33Å; L93-Q95 PolarHBondContact O-N 3.03Å; Q95-D97 PolarHBondContact O-N 3.25Å; Q95-F98 PolarHBondContact O-N 2.75Å; Q95-L99 VanDerWaalsContact O-CG 3.31Å; Q95-L99 WeakPolarHBondContact O-CG 3.31Å; Q95-L99 PolarHBondContact O-N 3.46Å; Q95-L169 HydrophobicContact CG-CD2 3.91Å; Q95-L169 PolarHBondContact NE2-O 3.5Å; Q95-S172 PolarHBondContact NE2-OG 3.33Å
96	Q	71.7	Confident	72.5	Confident	50 Å²	50	84 Å²	84	23%	0.234	43%	0.427	C	S	.	.	H	α-helix	trans	-61	-34.5	176.8	-69.4	-158.5	14.3	0	0	112.9	F92 L93 R94 F98 N111	F92-Q96 HydrophobicContact CE2-CG 4.32Å; F92-Q96 HydrophobicContact CZ-CG 4.43Å; F92-Q96 PolarHBondContact O-N 3.01Å; L93-Q96 WeakPolarHBondContact O-CB 3.48Å; L93-Q96 PolarHBondContact O-N 3.34Å; L93-Q96 VanDerWaalsContact O-N 3.12Å; R94-Q96 VanDerWaalsContact C-N 3.33Å; R94-Q96 PolarHBondContact O-N 3.12Å; Q96-F98 VanDerWaalsContact C-N 3.31Å; Q96-F98 PolarHBondContact O-N 2.89Å; Q96-N111 PolarHBondContact NE2-OD1 3.34Å
97	D	71.8	Confident	71.8	Confident	136 Å²	136	84.8 Å²	84.8	73%	0.727	42%	0.423	S	S	*	.	H	α-helix	trans	-71.7	-24.3	179.2	-68	-25	0	0	0	112.9	L93 R94 Q95	L93-D97 PolarHBondContact O-N 2.89Å; R94-D97 PolarHBondContact O-N 3.45Å; Q95-D97 PolarHBondContact O-N 3.25Å
98	F	66.7	Low	71.5	Confident	157 Å²	157	86.1 Å²	86.1	69%	0.689	44%	0.435	S	S	*	.	H	α-helix	trans	-105.1	0.9	-174.8	-67.9	-68.3	0	0	0	115.2	R94 Q95 Q96 P100	R94-F98 HydrophobicContact CG-CD2 4.02Å; R94-F98 HydrophobicContact CG-CE2 3.77Å; R94-F98 WeakPolarHBondContact O-CD2 3.48Å; R94-F98 PolarHBondContact O-N 2.63Å; Q95-F98 PolarHBondContact O-N 2.75Å; Q96-F98 VanDerWaalsContact C-N 3.31Å; Q96-F98 PolarHBondContact O-N 2.89Å; F98-P100 WeakPolarHBondContact O-CD 3.44Å
99	L	62.8	Low	71.4	Confident	40 Å²	40	93.2 Å²	93.2	21%	0.209	47%	0.466	C	S	.	.			trans	-77.6	120.1	-178.4	-79.6	167	0	0	0	112.1	Q95 R107	Q95-L99 VanDerWaalsContact O-CG 3.31Å; Q95-L99 WeakPolarHBondContact O-CG 3.31Å; Q95-L99 PolarHBondContact O-N 3.46Å; L99-R107 HydrophobicContact CD1-CB 4.04Å; L99-R107 HydrophobicContact CD1-CG 3.95Å
100	P	63.3	Low	70.8	Confident	67 Å²	67	88.7 Å²	88.7	44%	0.435	45%	0.452	S	S	.	.			trans	-60.6	144.6	173.4	-20.3	32.2	0	0	0	111	F98 Q102 Q103	F98-P100 WeakPolarHBondContact O-CD 3.44Å; P100-Q102 PolarHBondContact O-N 3.45Å; P100-Q103 PolarHBondContact O-N 3.2Å
101	P	64.4	Low	70.4	Confident	124 Å²	124	87.1 Å²	87.1	81%	0.805	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-53.2	-26.8	-179.4	-27.2	33.6	0	0	0	114.5	Q103	P101-Q103 PolarHBondContact O-N 3.42Å
102	Q	63.9	Low	70.5	Confident	192 Å²	192	88.6 Å²	88.6	90%	0.897	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-72.5	-3.7	-178.7	-65.4	174.7	-2.6	0	0	114.2	P100	P100-Q102 PolarHBondContact O-N 3.45Å
103	Q	66.2	Low	70.2	Confident	84 Å²	84	90 Å²	90	39%	0.393	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-110.7	30.5	179.1	-63.2	-166.7	6.1	0	0	113.5	P100 P101 D105 N106 R107	P100-Q103 PolarHBondContact O-N 3.2Å; P101-Q103 PolarHBondContact O-N 3.42Å; Q103-D105 VanDerWaalsContact C-N 3.27Å; Q103-D105 PolarHBondContact O-N 2.89Å; Q103-N106 HydrophobicContact CB-CB 4.3Å; Q103-N106 WeakPolarHBondContact O-CB 3.21Å; Q103-N106 PolarHBondContact O-N 3.33Å; Q103-R107 PolarHBondContact O-N 2.96Å
104	Q	65.4	Low	69.9	Low	147 Å²	147	86.2 Å²	86.2	69%	0.687	45%	0.45	S	S	*	.	H	α-helix	trans	-57.1	-36.3	-174.9	-164	171.4	2.1	0	0	113.6	R107 A108	Q104-R107 WeakPolarHBondContact O-CB 3.37Å; Q104-R107 PolarHBondContact O-N 3.3Å; Q104-A108 PolarHBondContact O-N 3.46Å
105	D	68.6	Low	70	Confident	129 Å²	129	87.8 Å²	87.8	69%	0.69	46%	0.463	S	S	*	.	H	α-helix	trans	-68.1	-36.9	175.9	-69.9	-18.4	0	0	0	112.8	Q103 R107 A108 K109	Q103-D105 VanDerWaalsContact C-N 3.27Å; Q103-D105 PolarHBondContact O-N 2.89Å; D105-R107 VanDerWaalsContact C-N 3.34Å; D105-A108 PolarHBondContact O-N 3.32Å; D105-K109 WeakPolarHBondContact O-CG 3.03Å; D105-K109 PolarHBondContact O-N 2.86Å
106	N	68	Low	70.3	Confident	79 Å²	79	93.7 Å²	93.7	42%	0.422	49%	0.491	S	S	.	.	H	α-helix	trans	-68.3	-38.9	173.7	-69.6	-18.8	0	0	0	110.2	Q103 A108 K109 I110	Q103-N106 HydrophobicContact CB-CB 4.3Å; Q103-N106 WeakPolarHBondContact O-CB 3.21Å; Q103-N106 PolarHBondContact O-N 3.33Å; N106-A108 VanDerWaalsContact C-N 3.35Å; N106-A108 PolarHBondContact O-N 2.91Å; N106-K109 PolarHBondContact O-N 3.42Å; N106-I110 WeakPolarHBondContact O-CB 3.43Å; N106-I110 WeakPolarHBondContact O-CD1 3.44Å; N106-I110 WeakPolarHBondContact O-CG1 3.46Å; N106-I110 PolarHBondContact O-N 3.01Å
107	R	68.8	Low	70.4	Confident	109 Å²	109	92.3 Å²	92.3	41%	0.411	49%	0.485	S	S	.	.	H	α-helix	trans	-59.4	-43.8	175.3	-171.1	178.3	-179.5	-178	2.3	111.9	L99 Q103 Q104 D105 I110 N111	L99-R107 HydrophobicContact CD1-CB 4.04Å; L99-R107 HydrophobicContact CD1-CG 3.95Å; Q103-R107 PolarHBondContact O-N 2.96Å; Q104-R107 WeakPolarHBondContact O-CB 3.37Å; Q104-R107 PolarHBondContact O-N 3.3Å; D105-R107 VanDerWaalsContact C-N 3.34Å; R107-I110 PolarHBondContact O-N 3.43Å; R107-N111 WeakPolarHBondContact O-CB 3.3Å; R107-N111 PolarHBondContact O-N 2.9Å; R107-N111 PolarHBondContact O-OD1 3.04Å
108	A	75.1	Confident	70.7	Confident	58 Å²	58	87 Å²	87	48%	0.479	46%	0.455	S	S	.	.	H	α-helix	trans	-64.2	-42.5	177.9	0	0	0	0	0	112.4	Q104 D105 N106 N111 A112	Q104-A108 PolarHBondContact O-N 3.46Å; D105-A108 PolarHBondContact O-N 3.32Å; N106-A108 VanDerWaalsContact C-N 3.35Å; N106-A108 PolarHBondContact O-N 2.91Å; A108-N111 PolarHBondContact O-N 3.02Å; A108-A112 WeakPolarHBondContact O-CB 3.34Å; A108-A112 PolarHBondContact O-N 3Å
109	K	73.4	Confident	71.4	Confident	149 Å²	149	85.3 Å²	85.3	65%	0.648	45%	0.449	S	S	*	.	H	α-helix	trans	-65.6	-42.4	176.9	-72.8	177.4	-178.2	174.5	0	112.7	D105 N106 A113	D105-K109 WeakPolarHBondContact O-CG 3.03Å; D105-K109 PolarHBondContact O-N 2.86Å; N106-K109 PolarHBondContact O-N 3.42Å; K109-A113 PolarHBondContact O-N 3.46Å
110	I	70.3	Confident	72	Confident	44 Å²	44	85.7 Å²	85.7	23%	0.226	46%	0.455	C	S	.	.	H	α-helix	trans	-59.3	-59.7	174.3	-68.9	168.9	0	0	0	107.3	F92 N106 R107 A112 A113 Y114	F92-I110 HydrophobicContact CD2-CG2 4.21Å; F92-I110 HydrophobicContact CE2-CG2 3.98Å; N106-I110 WeakPolarHBondContact O-CB 3.43Å; N106-I110 WeakPolarHBondContact O-CD1 3.44Å; N106-I110 WeakPolarHBondContact O-CG1 3.46Å; N106-I110 PolarHBondContact O-N 3.01Å; R107-I110 PolarHBondContact O-N 3.43Å; I110-A112 VanDerWaalsContact C-N 3.32Å; I110-A112 PolarHBondContact O-N 2.79Å; I110-A113 WeakPolarHBondContact O-CB 3.34Å; I110-A113 PolarHBondContact O-N 2.89Å; I110-Y114 HydrophobicContact CG2-CD2 3.7Å; I110-Y114 HydrophobicContact CG2-CE2 3.5Å; I110-Y114 WeakPolarHBondContact O-CD2 3.48Å; I110-Y114 PolarHBondContact O-N 3.4Å; I110-Y114 VanDerWaalsContact O-N 3.08Å
111	N	75.5	Confident	72.6	Confident	39 Å²	39	82.5 Å²	82.5	21%	0.209	43%	0.434	C	S	.	.	H	α-helix	trans	-50.4	-47.1	-179.4	-72.1	-4.4	0	0	0	113.5	F92 Q96 R107 A108 A113 Y114 D115	F92-N111 WeakPolarHBondContact CE2-OD1 3.3Å; F92-N111 WeakPolarHBondContact CZ-OD1 3.5Å; Q96-N111 PolarHBondContact NE2-OD1 3.34Å; R107-N111 WeakPolarHBondContact O-CB 3.3Å; R107-N111 PolarHBondContact O-N 2.9Å; R107-N111 PolarHBondContact O-OD1 3.04Å; A108-N111 PolarHBondContact O-N 3.02Å; N111-A113 VanDerWaalsContact C-N 3.33Å; N111-A113 PolarHBondContact O-N 2.68Å; N111-Y114 PolarHBondContact O-N 3.05Å; N111-Y114 VanDerWaalsContact O-N 3.14Å; N111-D115 VanDerWaalsContact O-CG 3.26Å; N111-D115 PolarHBondContact O-N 3.06Å
112	A	78.3	Confident	73.4	Confident	58 Å²	58	81.5 Å²	81.5	48%	0.479	42%	0.417	S	S	.	.	H	α-helix	trans	-60.4	-40	178.7	0	0	0	0	0	113	A108 I110 Y114 D115 E116	A108-A112 WeakPolarHBondContact O-CB 3.34Å; A108-A112 PolarHBondContact O-N 3Å; I110-A112 VanDerWaalsContact C-N 3.32Å; I110-A112 PolarHBondContact O-N 2.79Å; A112-Y114 VanDerWaalsContact C-N 3.34Å; A112-D115 PolarHBondContact O-N 3.49Å; A112-E116 PolarHBondContact O-N 3.33Å; A112-E116 VanDerWaalsContact O-N 3.11Å
113	A	71.6	Confident	74.1	Confident	48 Å²	48	77 Å²	77	40%	0.397	40%	0.396	S	S	.	.	H	α-helix	trans	-67.3	-34.7	176.6	0	0	0	0	0	112.4	K109 I110 N111 L117	K109-A113 PolarHBondContact O-N 3.46Å; I110-A113 WeakPolarHBondContact O-CB 3.34Å; I110-A113 PolarHBondContact O-N 2.89Å; N111-A113 VanDerWaalsContact C-N 3.33Å; N111-A113 PolarHBondContact O-N 2.68Å; A113-L117 WeakPolarHBondContact O-CB 3.47Å; A113-L117 PolarHBondContact O-N 3.32Å
114	Y	73.5	Confident	74.5	Confident	9 Å²	9	74.2 Å²	74.2	4%	0.035	38%	0.384	C	S	.	.	H	α-helix	trans	-71.5	-43.5	174.3	-78.9	-84.6	0	0	0	112.2	F92 I110 N111 A112 E116 L117 F118 L165 L169	F92-Y114 HydrophobicContact CB-CD1 3.7Å; F92-Y114 HydrophobicContact CB-CE1 3.59Å; F92-Y114 HydrophobicContact CB-CG 4.29Å; F92-Y114 HydrophobicContact CD1-CD1 4.24Å; F92-Y114 HydrophobicContact CD1-CG 4.24Å; F92-Y114 AromaticContact CD2-CD1 3.55Å; F92-Y114 HydrophobicContact CD2-CD1 3.55Å; F92-Y114 AromaticContact CD2-CD2 3.12Å; F92-Y114 HydrophobicContact CD2-CD2 3.12Å; F92-Y114 AromaticContact CD2-CE1 3.81Å; F92-Y114 HydrophobicContact CD2-CE1 3.81Å; F92-Y114 AromaticContact CD2-CE2 3.54Å; F92-Y114 HydrophobicContact CD2-CE2 3.54Å; F92-Y114 AromaticContact CD2-CG 3.22Å; F92-Y114 HydrophobicContact CD2-CG 3.22Å; F92-Y114 AromaticContact CD2-CZ 3.88Å; F92-Y114 HydrophobicContact CE1-CG 4.33Å; F92-Y114 HydrophobicContact CE2-CD1 4.13Å; F92-Y114 AromaticContact CE2-CD2 3.17Å; F92-Y114 HydrophobicContact CE2-CD2 3.17Å; F92-Y114 AromaticContact CE2-CE2 3.97Å; F92-Y114 HydrophobicContact CE2-CE2 3.97Å; F92-Y114 AromaticContact CE2-CG 3.35Å; F92-Y114 HydrophobicContact CE2-CG 3.35Å; F92-Y114 AromaticContact CG-CD1 3.57Å; F92-Y114 HydrophobicContact CG-CD1 3.57Å; F92-Y114 HydrophobicContact CG-CD2 4.03Å; F92-Y114 AromaticContact CG-CE1 3.89Å; F92-Y114 HydrophobicContact CG-CE1 3.89Å; F92-Y114 HydrophobicContact CG-CE2 4.44Å; F92-Y114 AromaticContact CG-CG 3.67Å; F92-Y114 HydrophobicContact CG-CG 3.67Å; F92-Y114 HydrophobicContact CZ-CD2 4.08Å; F92-Y114 AromaticContact CZ-CG 3.87Å; F92-Y114 HydrophobicContact CZ-CG 3.87Å; I110-Y114 HydrophobicContact CG2-CD2 3.7Å; I110-Y114 HydrophobicContact CG2-CE2 3.5Å; I110-Y114 WeakPolarHBondContact O-CD2 3.48Å; I110-Y114 PolarHBondContact O-N 3.4Å; I110-Y114 VanDerWaalsContact O-N 3.08Å; N111-Y114 PolarHBondContact O-N 3.05Å; N111-Y114 VanDerWaalsContact O-N 3.14Å; A112-Y114 VanDerWaalsContact C-N 3.34Å; Y114-E116 VanDerWaalsContact C-N 3.32Å; Y114-E116 PolarHBondContact O-N 3.16Å; Y114-L117 PolarHBondContact O-N 2.95Å; Y114-F118 HydrophobicContact CD1-CD2 4.29Å; Y114-F118 AromaticContact CD1-CE2 3.47Å; Y114-F118 HydrophobicContact CD1-CE2 3.47Å; Y114-F118 VanDerWaalsContact CD1-CE2 3.47Å; Y114-F118 AromaticContact CD1-CZ 3.61Å; Y114-F118 HydrophobicContact CD1-CZ 3.61Å; Y114-F118 HydrophobicContact CE1-CZ 4.32Å; Y114-F118 HydrophobicContact CG-CE2 4.06Å; Y114-F118 VanDerWaalsContact O-CB 3.27Å; Y114-F118 WeakPolarHBondContact O-CB 3.48Å; Y114-F118 WeakPolarHBondContact O-CD2 3.24Å; Y114-F118 VanDerWaalsContact O-CG 3.32Å; Y114-F118 WeakPolarHBondContact O-CG 3.4Å; Y114-F118 PolarHBondContact O-N 3.47Å; Y114-L165 HydrophobicContact CD1-CD2 3.84Å; Y114-L165 HydrophobicContact CE1-CD1 4.17Å; Y114-L165 HydrophobicContact CE1-CD2 3.19Å; Y114-L165 HydrophobicContact CE1-CG 3.86Å; Y114-L165 HydrophobicContact CE2-CD1 4.4Å; Y114-L165 VanDerWaalsContact OH-CD1 3.24Å; Y114-L165 WeakPolarHBondContact OH-CD1 3.35Å; Y114-L165 VanDerWaalsContact OH-CG 3.25Å; Y114-L165 WeakPolarHBondContact OH-CG 2.97Å; Y114-L169 HydrophobicContact CE1-CD1 3.7Å; Y114-L169 HydrophobicContact CE2-CD2 4.29Å; Y114-L169 WeakPolarHBondContact OH-CD1 3.29Å; Y114-L169 WeakPolarHBondContact OH-CD2 3.29Å; Y114-L169 WeakPolarHBondContact OH-CG 3.39Å
115	D	78.6	Confident	75.2	Confident	98 Å²	98	70.3 Å²	70.3	52%	0.524	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-44	179.9	-69.8	-19.8	0	0	0	110.4	N111 A112 E119	N111-D115 VanDerWaalsContact O-CG 3.26Å; N111-D115 PolarHBondContact O-N 3.06Å; A112-D115 PolarHBondContact O-N 3.49Å; D115-E119 VanDerWaalsContact O-CB 3.3Å; D115-E119 WeakPolarHBondContact O-CB 3.29Å; D115-E119 WeakPolarHBondContact O-CG 3.48Å; D115-E119 PolarHBondContact O-N 2.95Å
116	E	77.4	Confident	75.9	Confident	151 Å²	151	69.1 Å²	69.1	71%	0.706	35%	0.353	S	S	*	.	H	α-helix	trans	-63.2	-45	176	-173.1	-179.3	176.4	0	0	112.3	A112 Y114 S120	A112-E116 PolarHBondContact O-N 3.33Å; A112-E116 VanDerWaalsContact O-N 3.11Å; Y114-E116 VanDerWaalsContact C-N 3.32Å; Y114-E116 PolarHBondContact O-N 3.16Å; E116-S120 WeakPolarHBondContact O-CB 3.45Å; E116-S120 PolarHBondContact O-N 3.47Å; E116-S120 PolarHBondContact O-OG 2.95Å
117	L	74.9	Confident	76.3	Confident	21 Å²	21	67.5 Å²	67.5	11%	0.11	34%	0.344	C	S	.	.	H	α-helix	trans	-71.2	-39.3	-178.2	-171.1	71.4	0	0	0	112.3	A113 Y114 S120 G121 K161 L162 L165	A113-L117 WeakPolarHBondContact O-CB 3.47Å; A113-L117 PolarHBondContact O-N 3.32Å; Y114-L117 PolarHBondContact O-N 2.95Å; L117-S120 WeakPolarHBondContact CA-OG 3.32Å; L117-S120 PolarHBondContact O-OG 3.49Å; L117-G121 PolarHBondContact O-N 3.21Å; L117-K161 HydrophobicContact CD1-CB 3.92Å; L117-K161 HydrophobicContact CD1-CD 4.25Å; L117-L162 HydrophobicContact CD2-CD2 3.85Å; L117-L162 HydrophobicContact CG-CD2 4.26Å; L117-L165 HydrophobicContact CD2-CB 4.11Å; L117-L165 HydrophobicContact CD2-CD1 4.3Å; L117-L165 HydrophobicContact CD2-CD2 3.27Å; L117-L165 HydrophobicContact CD2-CG 4.08Å
118	F	78.9	Confident	76.8	Confident	25 Å²	25	62.4 Å²	62.4	11%	0.11	33%	0.325	C	S	.	.	H	α-helix	trans	-70.9	-44.1	176.5	-68.6	-40.7	0	0	0	110.8	W85 A88 R89 F92 Y114 S120 G121 K122	W85-F118 HydrophobicContact CD2-CD1 4.25Å; W85-F118 HydrophobicContact CE3-CD1 4.07Å; W85-F118 VanDerWaalsContact CH2-CA 3.46Å; W85-F118 HydrophobicContact CH2-CB 3.65Å; W85-F118 AromaticContact CH2-CD1 3.6Å; W85-F118 HydrophobicContact CH2-CD1 3.6Å; W85-F118 HydrophobicContact CH2-CG 4.02Å; W85-F118 WeakPolarHBondContact CH2-O 3.35Å; W85-F118 HydrophobicContact CZ2-CB 4.15Å; W85-F118 AromaticContact CZ2-CD1 3.76Å; W85-F118 HydrophobicContact CZ2-CD1 3.76Å; W85-F118 HydrophobicContact CZ2-CG 4.21Å; W85-F118 HydrophobicContact CZ3-CB 4.31Å; W85-F118 AromaticContact CZ3-CD1 3.73Å; W85-F118 HydrophobicContact CZ3-CD1 3.73Å; W85-F118 HydrophobicContact CZ3-CG 4.49Å; A88-F118 HydrophobicContact CB-CE1 4.5Å; R89-F118 HydrophobicContact CB-CE1 4.35Å; R89-F118 HydrophobicContact CB-CZ 4.06Å; R89-F118 HydrophobicContact CG-CZ 4.47Å; F92-F118 AromaticContact CD1-CE2 3.97Å; F92-F118 HydrophobicContact CD1-CE2 3.97Å; F92-F118 HydrophobicContact CE1-CE2 4.39Å; F92-F118 HydrophobicContact CG-CE2 4.39Å; Y114-F118 HydrophobicContact CD1-CD2 4.29Å; Y114-F118 AromaticContact CD1-CE2 3.47Å; Y114-F118 HydrophobicContact CD1-CE2 3.47Å; Y114-F118 VanDerWaalsContact CD1-CE2 3.47Å; Y114-F118 AromaticContact CD1-CZ 3.61Å; Y114-F118 HydrophobicContact CD1-CZ 3.61Å; Y114-F118 HydrophobicContact CE1-CZ 4.32Å; Y114-F118 HydrophobicContact CG-CE2 4.06Å; Y114-F118 VanDerWaalsContact O-CB 3.27Å; Y114-F118 WeakPolarHBondContact O-CB 3.48Å; Y114-F118 WeakPolarHBondContact O-CD2 3.24Å; Y114-F118 VanDerWaalsContact O-CG 3.32Å; Y114-F118 WeakPolarHBondContact O-CG 3.4Å; Y114-F118 PolarHBondContact O-N 3.47Å; F118-S120 PolarHBondContact O-N 3.31Å; F118-G121 PolarHBondContact O-N 2.98Å; F118-K122 VanDerWaalsContact O-CB 3.31Å; F118-K122 WeakPolarHBondContact O-CB 3.26Å; F118-K122 PolarHBondContact O-N 3.08Å
119	E	80.2	Confident	77	Confident	121 Å²	121	62.6 Å²	62.6	57%	0.565	32%	0.32	S	S	*	.	H	α-helix	trans	-63.1	-43.6	177.7	-73.5	-57.2	136.4	0	0	112	D115 G121 K122 Q123	D115-E119 VanDerWaalsContact O-CB 3.3Å; D115-E119 WeakPolarHBondContact O-CB 3.29Å; D115-E119 WeakPolarHBondContact O-CG 3.48Å; D115-E119 PolarHBondContact O-N 2.95Å; E119-G121 VanDerWaalsContact C-N 3.34Å; E119-G121 PolarHBondContact O-N 3.43Å; E119-K122 PolarHBondContact O-N 3.06Å; E119-Q123 PolarHBondContact O-N 3.17Å
120	S	76.1	Confident	77.3	Confident	47 Å²	47	62.9 Å²	62.9	33%	0.329	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-40.7	174	59.6	0	0	0	0	112.4	E116 L117 F118 Q123 M124	E116-S120 WeakPolarHBondContact O-CB 3.45Å; E116-S120 PolarHBondContact O-N 3.47Å; E116-S120 PolarHBondContact O-OG 2.95Å; L117-S120 WeakPolarHBondContact CA-OG 3.32Å; L117-S120 PolarHBondContact O-OG 3.49Å; F118-S120 PolarHBondContact O-N 3.31Å; S120-Q123 PolarHBondContact O-N 3.21Å; S120-M124 VanDerWaalsContact O-CE 3.24Å; S120-M124 WeakPolarHBondContact O-CE 3.45Å; S120-M124 PolarHBondContact O-N 3.42Å
121	G	75.3	Confident	77.5	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-73.9	-26.7	179.4	0	0	0	0	0	114.9	L117 F118 E119 M124 R125 Q158	L117-G121 PolarHBondContact O-N 3.21Å; F118-G121 PolarHBondContact O-N 2.98Å; E119-G121 VanDerWaalsContact C-N 3.34Å; E119-G121 PolarHBondContact O-N 3.43Å; G121-M124 PolarHBondContact O-N 3.27Å; G121-R125 WeakPolarHBondContact O-CB 3.39Å; G121-R125 VanDerWaalsContact O-CG 3.25Å; G121-R125 WeakPolarHBondContact O-CG 3.45Å; G121-R125 PolarHBondContact O-N 2.9Å; G121-Q158 VanDerWaalsContact CA-CD 3.45Å; G121-Q158 PolarHBondContact O-NE2 3.41Å
122	K	80.4	Confident	77.5	Confident	103 Å²	103	60.2 Å²	60.2	45%	0.448	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-42.6	171.8	-177.6	-178	175.1	-171.4	0	111.2	W85 F118 E119 R125 Q126	W85-K122 HydrophobicContact CH2-CB 4.27Å; F118-K122 VanDerWaalsContact O-CB 3.31Å; F118-K122 WeakPolarHBondContact O-CB 3.26Å; F118-K122 PolarHBondContact O-N 3.08Å; E119-K122 PolarHBondContact O-N 3.06Å; K122-R125 PolarHBondContact O-N 3.26Å; K122-Q126 WeakPolarHBondContact O-CG 3.4Å; K122-Q126 PolarHBondContact O-N 2.88Å
123	Q	80	Confident	77.4	Confident	97 Å²	97	63.1 Å²	63.1	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-48.1	175.3	-177.6	58.1	54.4	0	0	111	E119 S120 R125 Q126 D127	E119-Q123 PolarHBondContact O-N 3.17Å; S120-Q123 PolarHBondContact O-N 3.21Å; Q123-R125 VanDerWaalsContact C-N 3.3Å; Q123-R125 PolarHBondContact O-N 3.42Å; Q123-Q126 WeakPolarHBondContact O-CA 3.42Å; Q123-Q126 WeakPolarHBondContact O-CB 3.37Å; Q123-Q126 PolarHBondContact O-N 3.15Å; Q123-D127 PolarHBondContact NE2-OD1 3.45Å; Q123-D127 VanDerWaalsContact O-CG 3.28Å; Q123-D127 PolarHBondContact O-N 2.78Å
124	M	74.9	Confident	77.3	Confident	26 Å²	26	62.8 Å²	62.8	13%	0.128	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-32.5	179.9	-74.2	-177	-81.5	0	0	112.9	S120 G121 D127 L128 Q158	S120-M124 VanDerWaalsContact O-CE 3.24Å; S120-M124 WeakPolarHBondContact O-CE 3.45Å; S120-M124 PolarHBondContact O-N 3.42Å; G121-M124 PolarHBondContact O-N 3.27Å; M124-D127 WeakPolarHBondContact O-CB 3.49Å; M124-D127 PolarHBondContact O-N 3.48Å; M124-L128 WeakPolarHBondContact O-CB 3.31Å; M124-L128 PolarHBondContact O-N 3.12Å; M124-Q158 HydrophobicContact CE-CB 3.56Å; M124-Q158 HydrophobicContact CE-CG 3.44Å; M124-Q158 VanDerWaalsContact CE-CG 3.44Å; M124-Q158 HydrophobicContact SD-CB 3.64Å; M124-Q158 HydrophobicContact SD-CG 4.11Å; M124-Q158 PolarHBondContact SD-OE1 2.68Å
125	R	79.7	Confident	77.1	Confident	66 Å²	66	62.5 Å²	62.5	25%	0.249	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-42.2	169.2	-79.9	176.6	65.5	126.8	13	112.4	D81 D82 G121 K122 Q123 D127 L128 V129	D81-R125 WeakPolarHBondContact OD2-CD 3.49Å; D81-R125 WeakPolarHBondContact OD2-CG 3.38Å; D82-R125 IonicContact OD1-CZ 3.23Å; D82-R125 VanDerWaalsContact OD1-CZ 3.23Å; D82-R125 IonicContact OD1-NH1 3.49Å; D82-R125 PolarHBondContact OD1-NH1 2.98Å; D82-R125 IonicContact OD1-NH2 2.64Å; D82-R125 PolarHBondContact OD1-NH2 3.4Å; G121-R125 WeakPolarHBondContact O-CB 3.39Å; G121-R125 VanDerWaalsContact O-CG 3.25Å; G121-R125 WeakPolarHBondContact O-CG 3.45Å; G121-R125 PolarHBondContact O-N 2.9Å; K122-R125 PolarHBondContact O-N 3.26Å; Q123-R125 VanDerWaalsContact C-N 3.3Å; Q123-R125 PolarHBondContact O-N 3.42Å; R125-D127 VanDerWaalsContact C-N 3.3Å; R125-L128 PolarHBondContact O-N 3Å; R125-V129 WeakPolarHBondContact O-CG2 3.49Å; R125-V129 PolarHBondContact O-N 3.28Å
126	Q	82	Confident	76.6	Confident	103 Å²	103	62.2 Å²	62.2	48%	0.481	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-40.9	173	-70.1	173.9	-7.3	0	0	110.9	K122 Q123 V129 R130	K122-Q126 WeakPolarHBondContact O-CG 3.4Å; K122-Q126 PolarHBondContact O-N 2.88Å; Q123-Q126 WeakPolarHBondContact O-CA 3.42Å; Q123-Q126 WeakPolarHBondContact O-CB 3.37Å; Q123-Q126 PolarHBondContact O-N 3.15Å; Q126-V129 PolarHBondContact O-N 2.97Å; Q126-R130 VanDerWaalsContact O-CB 3.28Å; Q126-R130 WeakPolarHBondContact O-CB 3.42Å; Q126-R130 PolarHBondContact O-N 3.31Å
127	D	78.2	Confident	76	Confident	45 Å²	45	59.1 Å²	59.1	24%	0.241	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-39.9	176.6	-62.4	-23.5	0	0	0	111.6	Q123 M124 R125 R130 L131	Q123-D127 PolarHBondContact NE2-OD1 3.45Å; Q123-D127 VanDerWaalsContact O-CG 3.28Å; Q123-D127 PolarHBondContact O-N 2.78Å; M124-D127 WeakPolarHBondContact O-CB 3.49Å; M124-D127 PolarHBondContact O-N 3.48Å; R125-D127 VanDerWaalsContact C-N 3.3Å; D127-R130 CarbonylContact O-C 3.48Å; D127-R130 WeakPolarHBondContact O-CB 3.37Å; D127-R130 PolarHBondContact O-N 2.72Å; D127-L131 WeakPolarHBondContact O-CB 3.3Å; D127-L131 VanDerWaalsContact O-CG 3.29Å; D127-L131 WeakPolarHBondContact O-CG 3.44Å; D127-L131 PolarHBondContact O-N 3.38Å
128	L	77.7	Confident	75.2	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-43.7	175.7	179.5	54.7	0	0	0	112.5	L74 K78 D81 M124 R125 R130 L131 L132 I155	L74-L128 HydrophobicContact CD2-CD1 4.04Å; K78-L128 VanDerWaalsContact CA-CD2 3.42Å; K78-L128 HydrophobicContact CB-CD2 3.72Å; K78-L128 HydrophobicContact CB-CG 4.16Å; K78-L128 HydrophobicContact CG-CD2 4.15Å; D81-L128 HydrophobicContact CB-CD2 4.43Å; M124-L128 WeakPolarHBondContact O-CB 3.31Å; M124-L128 PolarHBondContact O-N 3.12Å; R125-L128 PolarHBondContact O-N 3Å; L128-R130 VanDerWaalsContact C-N 3.28Å; L128-R130 PolarHBondContact O-N 2.92Å; L128-L131 PolarHBondContact O-N 2.83Å; L128-L132 HydrophobicContact CD1-CD1 4.42Å; L128-L132 HydrophobicContact CG-CD1 4.45Å; L128-L132 WeakPolarHBondContact O-CG 3.42Å; L128-L132 PolarHBondContact O-N 3.49Å; L128-I155 HydrophobicContact CB-CD1 3.74Å; L128-I155 HydrophobicContact CB-CG1 4.46Å; L128-I155 HydrophobicContact CD1-CD1 3.99Å; L128-I155 HydrophobicContact CD2-CG2 4.25Å; L128-I155 HydrophobicContact CG-CD1 4.31Å
129	V	80.5	Confident	74	Confident	62 Å²	62	72.4 Å²	72.4	38%	0.376	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-41.9	173.7	170.4	0	0	0	0	110.2	R125 Q126 L132 Q133	R125-V129 WeakPolarHBondContact O-CG2 3.49Å; R125-V129 PolarHBondContact O-N 3.28Å; Q126-V129 PolarHBondContact O-N 2.97Å; V129-L132 PolarHBondContact O-N 3.46Å; V129-Q133 HydrophobicContact CG1-CG 4.41Å; V129-Q133 WeakPolarHBondContact O-CB 3.3Å; V129-Q133 VanDerWaalsContact O-CG 3.29Å; V129-Q133 WeakPolarHBondContact O-CG 3.46Å; V129-Q133 PolarHBondContact O-N 3.19Å
130	R	79.6	Confident	72.7	Confident	154 Å²	154	70.9 Å²	70.9	58%	0.581	34%	0.344	S	S	*	.	H	α-helix	trans	-63.9	-43.9	176.4	-174.7	177.1	179.8	174.3	2.8	111.7	Q126 D127 L128 L132 Q133 D134	Q126-R130 VanDerWaalsContact O-CB 3.28Å; Q126-R130 WeakPolarHBondContact O-CB 3.42Å; Q126-R130 PolarHBondContact O-N 3.31Å; D127-R130 CarbonylContact O-C 3.48Å; D127-R130 WeakPolarHBondContact O-CB 3.37Å; D127-R130 PolarHBondContact O-N 2.72Å; L128-R130 VanDerWaalsContact C-N 3.28Å; L128-R130 PolarHBondContact O-N 2.92Å; R130-L132 VanDerWaalsContact C-N 3.32Å; R130-L132 PolarHBondContact O-N 3.29Å; R130-Q133 PolarHBondContact O-N 2.91Å; R130-D134 IonicContact NE-OD2 3.03Å; R130-D134 VanDerWaalsContact O-CB 3.32Å; R130-D134 WeakPolarHBondContact O-CB 3.24Å; R130-D134 VanDerWaalsContact O-CG 3.3Å; R130-D134 PolarHBondContact O-N 3.36Å
131	L	74.2	Confident	71.5	Confident	2 Å²	2	77.1 Å²	77.1	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-59.2	-43.3	174.7	-75.1	170	0	0	0	111.4	L74 D127 L128 D134 F135 F143 D148 K151 M152 I155	L74-L131 HydrophobicContact CD2-CB 4.35Å; L74-L131 HydrophobicContact CD2-CD1 4.37Å; D127-L131 WeakPolarHBondContact O-CB 3.3Å; D127-L131 VanDerWaalsContact O-CG 3.29Å; D127-L131 WeakPolarHBondContact O-CG 3.44Å; D127-L131 PolarHBondContact O-N 3.38Å; L128-L131 PolarHBondContact O-N 2.83Å; L131-D134 PolarHBondContact O-N 2.86Å; L131-F135 WeakPolarHBondContact O-CB 3.2Å; L131-F135 PolarHBondContact O-N 2.84Å; L131-F143 HydrophobicContact CB-CZ 4.46Å; L131-F143 HydrophobicContact CD2-CE2 4.06Å; L131-F143 HydrophobicContact CD2-CZ 3.74Å; L131-D148 HydrophobicContact CD2-CB 4.24Å; L131-K151 HydrophobicContact CD1-CB 3.8Å; L131-K151 HydrophobicContact CD1-CD 4.38Å; L131-K151 HydrophobicContact CD2-CD 3.93Å; L131-K151 HydrophobicContact CG-CD 4.33Å; L131-M152 HydrophobicContact CD1-CG 4.42Å; L131-I155 HydrophobicContact CD1-CD1 3.95Å
132	L	75.4	Confident	70.4	Confident	26 Å²	26	83 Å²	83	14%	0.136	40%	0.397	C	S	.	.	H	α-helix	trans	-65.9	-38.2	176.3	-77.9	166.8	0	0	0	112.7	L74 E75 K78 L128 V129 R130 S136	L74-L132 HydrophobicContact CB-CD2 3.52Å; L74-L132 HydrophobicContact CB-CG 4.15Å; E75-L132 HydrophobicContact CG-CD2 4.04Å; K78-L132 HydrophobicContact CB-CD1 3.96Å; K78-L132 HydrophobicContact CD-CD1 3.51Å; K78-L132 HydrophobicContact CG-CD1 4.22Å; L128-L132 HydrophobicContact CD1-CD1 4.42Å; L128-L132 HydrophobicContact CG-CD1 4.45Å; L128-L132 WeakPolarHBondContact O-CG 3.42Å; L128-L132 PolarHBondContact O-N 3.49Å; V129-L132 PolarHBondContact O-N 3.46Å; R130-L132 VanDerWaalsContact C-N 3.32Å; R130-L132 PolarHBondContact O-N 3.29Å; L132-S136 VanDerWaalsContact O-CB 3.3Å; L132-S136 WeakPolarHBondContact O-CB 3.46Å; L132-S136 PolarHBondContact O-N 2.91Å; L132-S136 PolarHBondContact O-OG 3.36Å
133	Q	75.6	Confident	69.4	Low	119 Å²	119	78.9 Å²	78.9	56%	0.556	38%	0.379	S	S	*	.	H	α-helix	trans	-68.2	-44.6	174.6	-75.3	176.2	-6.5	0	0	111.7	V129 R130 F135 S136 S137	V129-Q133 HydrophobicContact CG1-CG 4.41Å; V129-Q133 WeakPolarHBondContact O-CB 3.3Å; V129-Q133 VanDerWaalsContact O-CG 3.29Å; V129-Q133 WeakPolarHBondContact O-CG 3.46Å; V129-Q133 PolarHBondContact O-N 3.19Å; R130-Q133 PolarHBondContact O-N 2.91Å; Q133-F135 VanDerWaalsContact C-N 3.29Å; Q133-F135 PolarHBondContact O-N 2.91Å; Q133-S136 PolarHBondContact O-N 3.26Å; Q133-S137 VanDerWaalsContact O-CB 3.24Å; Q133-S137 WeakPolarHBondContact O-CB 3.32Å; Q133-S137 PolarHBondContact O-N 3.43Å; Q133-S137 PolarHBondContact O-OG 2.78Å
134	D	69.6	Low	68.3	Low	40 Å²	40	76.4 Å²	76.4	21%	0.214	37%	0.373	C	S	.	.	H	α-helix	trans	-61.2	-42	175.8	-75.3	-28.6	0	0	0	109.9	R130 L131 S136 S137 R138	R130-D134 IonicContact NE-OD2 3.03Å; R130-D134 VanDerWaalsContact O-CB 3.32Å; R130-D134 WeakPolarHBondContact O-CB 3.24Å; R130-D134 VanDerWaalsContact O-CG 3.3Å; R130-D134 PolarHBondContact O-N 3.36Å; L131-D134 PolarHBondContact O-N 2.86Å; D134-S136 PolarHBondContact O-N 3.47Å; D134-S137 PolarHBondContact O-N 2.82Å; D134-S137 PolarHBondContact O-OG 2.69Å; D134-R138 VanDerWaalsContact O-CB 3.3Å; D134-R138 WeakPolarHBondContact O-CB 3.43Å; D134-R138 WeakPolarHBondContact O-CG 3.38Å; D134-R138 PolarHBondContact O-N 3.13Å
135	F	69.1	Low	67.8	Low	4 Å²	4	77.3 Å²	77.3	2%	0.018	38%	0.382	C	S	.	.	H	α-helix	trans	-64.7	-37.8	174.6	-162.5	-77.1	0	0	0	113	C67 L70 R71 L74 L131 Q133 F143	C67-F135 HydrophobicContact CB-CZ 3.76Å; C67-F135 WeakPolarHBondContact O-CZ 3.42Å; L70-F135 HydrophobicContact CB-CE2 4.24Å; L70-F135 HydrophobicContact CD2-CE2 4.16Å; L70-F135 HydrophobicContact CG-CE2 4.32Å; R71-F135 HydrophobicContact CB-CD1 3.92Å; R71-F135 HydrophobicContact CB-CE1 3.5Å; R71-F135 HydrophobicContact CB-CZ 3.97Å; R71-F135 HydrophobicContact CG-CD1 3.95Å; R71-F135 HydrophobicContact CG-CE1 3.96Å; L74-F135 HydrophobicContact CD1-CB 4.4Å; L74-F135 HydrophobicContact CD1-CD2 4.02Å; L74-F135 HydrophobicContact CD1-CG 4.34Å; L131-F135 WeakPolarHBondContact O-CB 3.2Å; L131-F135 PolarHBondContact O-N 2.84Å; Q133-F135 VanDerWaalsContact C-N 3.29Å; Q133-F135 PolarHBondContact O-N 2.91Å; F135-F143 HydrophobicContact CB-CD2 4.15Å; F135-F143 HydrophobicContact CB-CE2 4.13Å; F135-F143 HydrophobicContact CD2-CB 4.06Å; F135-F143 HydrophobicContact CD2-CD1 4.34Å; F135-F143 AromaticContact CD2-CD2 3.39Å; F135-F143 HydrophobicContact CD2-CD2 3.39Å; F135-F143 AromaticContact CD2-CE2 3.79Å; F135-F143 HydrophobicContact CD2-CE2 3.79Å; F135-F143 AromaticContact CD2-CG 3.64Å; F135-F143 HydrophobicContact CD2-CG 3.64Å; F135-F143 HydrophobicContact CD2-CZ 4.39Å; F135-F143 HydrophobicContact CE2-CB 3.96Å; F135-F143 HydrophobicContact CE2-CD2 4.16Å; F135-F143 AromaticContact CE2-CG 3.94Å; F135-F143 HydrophobicContact CE2-CG 3.94Å; F135-F143 HydrophobicContact CG-CD2 4.24Å; F135-F143 HydrophobicContact CG-CE2 4.49Å
136	S	67.8	Low	67.3	Low	92 Å²	92	81.3 Å²	81.3	64%	0.643	40%	0.403	S	S	*	.	H	α-helix	trans	-77.9	-31.6	-179.4	-59.3	0	0	0	0	112.6	L132 Q133 D134	L132-S136 VanDerWaalsContact O-CB 3.3Å; L132-S136 WeakPolarHBondContact O-CB 3.46Å; L132-S136 PolarHBondContact O-N 2.91Å; L132-S136 PolarHBondContact O-OG 3.36Å; Q133-S136 PolarHBondContact O-N 3.26Å; D134-S136 PolarHBondContact O-N 3.47Å
137	S	66.7	Low	66.8	Low	86 Å²	86	82 Å²	82	60%	0.601	41%	0.407	S	S	*	.	H	α-helix	trans	-89.7	-26.7	-175.7	61.7	0	0	0	0	113.6	Q133 D134	Q133-S137 VanDerWaalsContact O-CB 3.24Å; Q133-S137 WeakPolarHBondContact O-CB 3.32Å; Q133-S137 PolarHBondContact O-N 3.43Å; Q133-S137 PolarHBondContact O-OG 2.78Å; D134-S137 PolarHBondContact O-N 2.82Å; D134-S137 PolarHBondContact O-OG 2.69Å
138	R	56.9	Low	66.3	Low	135 Å²	135	80.9 Å²	80.9	51%	0.509	40%	0.4	S	S	.	.	S	Bend	trans	-105.3	109.8	177.5	-57.1	-177.1	-173.6	-166.4	4.3	108	D134 E140	D134-R138 VanDerWaalsContact O-CB 3.3Å; D134-R138 WeakPolarHBondContact O-CB 3.43Å; D134-R138 WeakPolarHBondContact O-CG 3.38Å; D134-R138 PolarHBondContact O-N 3.13Å; R138-E140 PolarHBondContact O-N 2.87Å
139	K	53.1	Low	65.9	Low	190 Å²	190	81 Å²	81	83%	0.826	40%	0.401	S	S	*	.			trans	-50.9	105.1	172.7	-66.8	-176.6	177.2	-176.1	0	108.8	E141	K139-E141 PolarHBondContact O-N 2.87Å
140	E	52.7	Low	65.5	Low	88 Å²	88	81.3 Å²	81.3	41%	0.411	40%	0.4	S	S	.	.	S	Bend	trans	42.1	-37.4	159.3	-60.3	-169.4	166.4	0	0	119.7	C67 R138 M142	C67-E140 HydrophobicContact CB-CB 3.95Å; C67-E140 HydrophobicContact CB-CG 3.78Å; C67-E140 PolarHBondContact SG-O 2.82Å; R138-E140 PolarHBondContact O-N 2.87Å; E140-M142 PolarHBondContact O-N 2.89Å
141	E	52.9	Low	65.1	Low	179 Å²	179	76.5 Å²	76.5	84%	0.836	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.3	-167	-63.2	177	171.4	0	0	115.6	K139	K139-E141 PolarHBondContact O-N 2.87Å
142	M	51.8	Low	64.9	Low	124 Å²	124	76.4 Å²	76.4	61%	0.611	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-4	-173.5	-70.3	-165.3	178.6	0	0	115.1	E140 S144	E140-M142 PolarHBondContact O-N 2.89Å; M142-S144 VanDerWaalsContact C-N 3.33Å; M142-S144 PolarHBondContact O-N 2.92Å; M142-S144 VanDerWaalsContact O-N 3.13Å
143	F	58.9	Low	64.8	Low	15 Å²	15	78.2 Å²	78.2	7%	0.066	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	70.5	-175.6	-143.2	-70.3	0	0	0	110.8	L70 L74 L131 F135 D148 M152	L70-F143 HydrophobicContact CD2-CB 4.37Å; L70-F143 HydrophobicContact CD2-CD1 3.18Å; L70-F143 HydrophobicContact CD2-CE1 3.6Å; L70-F143 HydrophobicContact CD2-CG 4Å; L70-F143 HydrophobicContact CG-CD1 4.28Å; L70-F143 HydrophobicContact CG-CE1 4.32Å; L74-F143 HydrophobicContact CD1-CE1 4.46Å; L74-F143 HydrophobicContact CD1-CE2 4.23Å; L74-F143 HydrophobicContact CD1-CZ 3.82Å; L131-F143 HydrophobicContact CB-CZ 4.46Å; L131-F143 HydrophobicContact CD2-CE2 4.06Å; L131-F143 HydrophobicContact CD2-CZ 3.74Å; F135-F143 HydrophobicContact CB-CD2 4.15Å; F135-F143 HydrophobicContact CB-CE2 4.13Å; F135-F143 HydrophobicContact CD2-CB 4.06Å; F135-F143 HydrophobicContact CD2-CD1 4.34Å; F135-F143 AromaticContact CD2-CD2 3.39Å; F135-F143 HydrophobicContact CD2-CD2 3.39Å; F135-F143 AromaticContact CD2-CE2 3.79Å; F135-F143 HydrophobicContact CD2-CE2 3.79Å; F135-F143 AromaticContact CD2-CG 3.64Å; F135-F143 HydrophobicContact CD2-CG 3.64Å; F135-F143 HydrophobicContact CD2-CZ 4.39Å; F135-F143 HydrophobicContact CE2-CB 3.96Å; F135-F143 HydrophobicContact CE2-CD2 4.16Å; F135-F143 AromaticContact CE2-CG 3.94Å; F135-F143 HydrophobicContact CE2-CG 3.94Å; F135-F143 HydrophobicContact CG-CD2 4.24Å; F135-F143 HydrophobicContact CG-CE2 4.49Å; F143-D148 HydrophobicContact CD1-CB 4.11Å; F143-D148 HydrophobicContact CE1-CB 3.51Å; F143-D148 HydrophobicContact CZ-CB 3.84Å; F143-M152 HydrophobicContact CD1-CE 4.3Å; F143-M152 HydrophobicContact CE1-CE 3.18Å; F143-M152 HydrophobicContact CZ-CE 3.62Å
144	S	56.4	Low	64.7	Low	46 Å²	46	77 Å²	77	32%	0.322	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.9	2.2	-176.3	50	0	0	0	0	112.7	Y25 M142	Y25-S144 PolarHBondContact OH-O 2.62Å; M142-S144 VanDerWaalsContact C-N 3.33Å; M142-S144 PolarHBondContact O-N 2.92Å; M142-S144 VanDerWaalsContact O-N 3.13Å
145	S	64.7	Low	64.7	Low	45 Å²	45	75.3 Å²	75.3	32%	0.315	38%	0.376	S	S	.	.			trans	-77.6	141.7	-177	82.9	0	0	0	0	111.1	E147 D148 F149	S145-E147 PolarHBondContact O-N 2.94Å; S145-E147 VanDerWaalsContact O-N 3.12Å; S145-D148 PolarHBondContact O-N 3.28Å; S145-D148 PolarHBondContact OG-N 2.88Å; S145-D148 PolarHBondContact OG-OD2 3.22Å; S145-F149 VanDerWaalsContact O-CD2 3.29Å; S145-F149 WeakPolarHBondContact O-CD2 3.5Å; S145-F149 PolarHBondContact O-N 2.91Å
146	E	68.9	Low	64.9	Low	150 Å²	150	76.8 Å²	76.8	70%	0.701	38%	0.382	S	S	*	.	H	α-helix	trans	-53.9	-30.7	173.3	-169.1	-174.2	164.7	0	0	111.9	D148 F149 N150	E146-D148 PolarHBondContact O-N 2.98Å; E146-F149 PolarHBondContact O-N 2.84Å; E146-N150 WeakPolarHBondContact O-CB 3.45Å; E146-N150 PolarHBondContact O-N 3.06Å; E146-N150 PolarHBondContact O-ND2 3.43Å
147	E	72.5	Confident	65.3	Low	118 Å²	118	79.5 Å²	79.5	55%	0.551	38%	0.378	S	S	*	.	H	α-helix	trans	-61.4	-41.6	177	-166.2	-170.9	147.6	0	0	112.4	S145 N150 K151	S145-E147 PolarHBondContact O-N 2.94Å; S145-E147 VanDerWaalsContact O-N 3.12Å; E147-N150 PolarHBondContact O-N 3.33Å; E147-K151 WeakPolarHBondContact O-CG 3.5Å; E147-K151 PolarHBondContact O-N 3.35Å; E147-K151 WeakPolarHBondContact OE1-CE 3.38Å; E147-K151 IonicContact OE1-NZ 2.6Å; E147-K151 PolarHBondContact OE1-NZ 3.24Å
148	D	67.5	Low	65.5	Low	20 Å²	20	75.5 Å²	75.5	11%	0.107	35%	0.35	C	S	.	.	H	α-helix	trans	-69.5	-40.4	-179.2	-59.5	-44.7	0	0	0	111.3	L131 F143 S145 E146 N150 K151 M152	L131-D148 HydrophobicContact CD2-CB 4.24Å; F143-D148 HydrophobicContact CD1-CB 4.11Å; F143-D148 HydrophobicContact CE1-CB 3.51Å; F143-D148 HydrophobicContact CZ-CB 3.84Å; S145-D148 PolarHBondContact O-N 3.28Å; S145-D148 PolarHBondContact OG-N 2.88Å; S145-D148 PolarHBondContact OG-OD2 3.22Å; E146-D148 PolarHBondContact O-N 2.98Å; D148-N150 VanDerWaalsContact C-N 3.32Å; D148-N150 PolarHBondContact O-N 3.39Å; D148-K151 PolarHBondContact O-N 3.33Å; D148-M152 PolarHBondContact O-N 3.04Å
149	F	68.6	Low	66.2	Low	7 Å²	7	69.2 Å²	69.2	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-62.1	-40.7	171.8	-72.5	-70.5	0	0	0	111.7	F18 Y25 F66 S145 E146 M152 K153	F18-F149 HydrophobicContact CE2-CD1 4.01Å; F18-F149 HydrophobicContact CZ-CB 3.88Å; F18-F149 AromaticContact CZ-CD1 3.61Å; F18-F149 HydrophobicContact CZ-CD1 3.61Å; F18-F149 HydrophobicContact CZ-CG 4.22Å; F18-F149 WeakPolarHBondContact CZ-O 3.41Å; Y25-F149 AromaticContact CD1-CE2 3.69Å; Y25-F149 HydrophobicContact CD1-CE2 3.69Å; Y25-F149 AromaticContact CD1-CZ 3.87Å; Y25-F149 HydrophobicContact CD1-CZ 3.87Å; Y25-F149 HydrophobicContact CD2-CE2 4.1Å; Y25-F149 AromaticContact CD2-CZ 3.97Å; Y25-F149 HydrophobicContact CD2-CZ 3.97Å; Y25-F149 AromaticContact CE1-CE2 3.97Å; Y25-F149 HydrophobicContact CE1-CE2 3.97Å; Y25-F149 HydrophobicContact CE2-CE2 4.4Å; Y25-F149 AromaticContact CG-CE2 3.75Å; Y25-F149 HydrophobicContact CG-CE2 3.75Å; Y25-F149 AromaticContact CG-CZ 3.53Å; Y25-F149 HydrophobicContact CG-CZ 3.53Å; F66-F149 HydrophobicContact CZ-CE1 4.27Å; F66-F149 AromaticContact CZ-CZ 3.82Å; F66-F149 HydrophobicContact CZ-CZ 3.82Å; S145-F149 VanDerWaalsContact O-CD2 3.29Å; S145-F149 WeakPolarHBondContact O-CD2 3.5Å; S145-F149 PolarHBondContact O-N 2.91Å; E146-F149 PolarHBondContact O-N 2.84Å; F149-M152 PolarHBondContact O-N 2.67Å; F149-K153 WeakPolarHBondContact O-CG 3.29Å; F149-K153 PolarHBondContact O-N 3.36Å
150	N	73.2	Confident	67	Low	68 Å²	68	62.4 Å²	62.4	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-41.2	176.4	-75.6	-27.9	0	0	0	112	E146 E147 D148 M152 K153 M154	E146-N150 WeakPolarHBondContact O-CB 3.45Å; E146-N150 PolarHBondContact O-N 3.06Å; E146-N150 PolarHBondContact O-ND2 3.43Å; E147-N150 PolarHBondContact O-N 3.33Å; D148-N150 VanDerWaalsContact C-N 3.32Å; D148-N150 PolarHBondContact O-N 3.39Å; N150-M152 PolarHBondContact O-N 3.31Å; N150-K153 WeakPolarHBondContact O-CB 3.4Å; N150-K153 PolarHBondContact O-N 3.28Å; N150-M154 WeakPolarHBondContact O-CG 3.47Å; N150-M154 PolarHBondContact O-N 2.89Å
151	K	71.3	Confident	68.1	Low	52 Å²	52	64.2 Å²	64.2	23%	0.226	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-42.9	174.6	-71.1	167.1	-176.2	156.6	0	111.9	L131 E147 D148 K153 M154 I155	L131-K151 HydrophobicContact CD1-CB 3.8Å; L131-K151 HydrophobicContact CD1-CD 4.38Å; L131-K151 HydrophobicContact CD2-CD 3.93Å; L131-K151 HydrophobicContact CG-CD 4.33Å; E147-K151 WeakPolarHBondContact O-CG 3.5Å; E147-K151 PolarHBondContact O-N 3.35Å; E147-K151 WeakPolarHBondContact OE1-CE 3.38Å; E147-K151 IonicContact OE1-NZ 2.6Å; E147-K151 PolarHBondContact OE1-NZ 3.24Å; D148-K151 PolarHBondContact O-N 3.33Å; K151-K153 PolarHBondContact O-N 3.05Å; K151-M154 WeakPolarHBondContact O-CB 3.49Å; K151-M154 PolarHBondContact O-N 2.91Å; K151-M154 VanDerWaalsContact O-N 3.16Å; K151-I155 WeakPolarHBondContact O-CG1 3.02Å; K151-I155 PolarHBondContact O-N 2.87Å
152	M	69.5	Low	68.9	Low	1 Å²	1	55.7 Å²	55.7	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-40.6	175.1	-71.1	-166.4	-136.6	0	0	112.9	F18 L70 L74 L77 L131 F143 D148 F149 N150 M154 I155 R156	F18-M152 HydrophobicContact CD2-CB 4.06Å; F18-M152 HydrophobicContact CE2-CB 3.48Å; F18-M152 VanDerWaalsContact CE2-CB 3.48Å; F18-M152 HydrophobicContact CE2-CG 4.37Å; F18-M152 HydrophobicContact CE2-SD 4.07Å; F18-M152 HydrophobicContact CZ-CB 4.38Å; L70-M152 HydrophobicContact CD1-CE 3.58Å; L70-M152 HydrophobicContact CD1-SD 3.99Å; L70-M152 HydrophobicContact CD2-CE 4.23Å; L70-M152 HydrophobicContact CG-CE 4.04Å; L74-M152 HydrophobicContact CD1-CE 4.22Å; L74-M152 HydrophobicContact CD2-CE 3.68Å; L74-M152 HydrophobicContact CD2-CG 3.86Å; L74-M152 HydrophobicContact CD2-SD 3.67Å; L74-M152 HydrophobicContact CG-CE 4.06Å; L74-M152 HydrophobicContact CG-SD 4.26Å; L77-M152 HydrophobicContact CD1-CG 4.47Å; L77-M152 HydrophobicContact CD1-SD 4.45Å; L131-M152 HydrophobicContact CD1-CG 4.42Å; F143-M152 HydrophobicContact CD1-CE 4.3Å; F143-M152 HydrophobicContact CE1-CE 3.18Å; F143-M152 HydrophobicContact CZ-CE 3.62Å; D148-M152 PolarHBondContact O-N 3.04Å; F149-M152 PolarHBondContact O-N 2.67Å; N150-M152 PolarHBondContact O-N 3.31Å; M152-M154 VanDerWaalsContact C-N 3.28Å; M152-M154 PolarHBondContact O-N 3.45Å; M152-I155 PolarHBondContact O-N 3.15Å; M152-R156 PolarHBondContact O-N 3.4Å
153	K	73.2	Confident	69.8	Low	64 Å²	64	52.7 Å²	52.7	28%	0.278	25%	0.249	S	C	.	.	H	α-helix	trans	-59	-41.2	173	-73.1	178.4	-175.3	177.1	0	111.4	F18 Q22 F149 N150 K151 R156 R157	F18-K153 HydrophobicContact CD1-CG 4.06Å; F18-K153 HydrophobicContact CE1-CD 4.03Å; F18-K153 HydrophobicContact CE1-CG 3.6Å; F18-K153 HydrophobicContact CE2-CG 4.47Å; F18-K153 HydrophobicContact CZ-CD 4.42Å; F18-K153 HydrophobicContact CZ-CG 3.78Å; Q22-K153 VanDerWaalsContact OE1-NZ 3.08Å; F149-K153 WeakPolarHBondContact O-CG 3.29Å; F149-K153 PolarHBondContact O-N 3.36Å; N150-K153 WeakPolarHBondContact O-CB 3.4Å; N150-K153 PolarHBondContact O-N 3.28Å; K151-K153 PolarHBondContact O-N 3.05Å; K153-R156 PolarHBondContact O-N 3.22Å; K153-R157 WeakPolarHBondContact O-CG 3.3Å; K153-R157 PolarHBondContact O-N 3.01Å; K153-R157 VanDerWaalsContact O-N 3.08Å
154	M	72.6	Confident	70.5	Confident	94 Å²	94	54.7 Å²	54.7	46%	0.463	27%	0.265	S	S	.	.	H	α-helix	trans	-65.4	-43.7	177.7	-69.8	-60.4	-66	0	0	112.1	N150 K151 M152 R156 R157 Q158	N150-M154 WeakPolarHBondContact O-CG 3.47Å; N150-M154 PolarHBondContact O-N 2.89Å; K151-M154 WeakPolarHBondContact O-CB 3.49Å; K151-M154 PolarHBondContact O-N 2.91Å; K151-M154 VanDerWaalsContact O-N 3.16Å; M152-M154 VanDerWaalsContact C-N 3.28Å; M152-M154 PolarHBondContact O-N 3.45Å; M154-R156 VanDerWaalsContact C-N 3.34Å; M154-R156 PolarHBondContact O-N 2.97Å; M154-R157 PolarHBondContact O-N 3.42Å; M154-Q158 PolarHBondContact O-N 3.1Å
155	I	71.1	Confident	71.1	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-44.9	175	-68.8	157.4	0	0	0	110.7	L128 L131 K151 M152 R157 Q158 Q159	L128-I155 HydrophobicContact CB-CD1 3.74Å; L128-I155 HydrophobicContact CB-CG1 4.46Å; L128-I155 HydrophobicContact CD1-CD1 3.99Å; L128-I155 HydrophobicContact CD2-CG2 4.25Å; L128-I155 HydrophobicContact CG-CD1 4.31Å; L131-I155 HydrophobicContact CD1-CD1 3.95Å; K151-I155 WeakPolarHBondContact O-CG1 3.02Å; K151-I155 PolarHBondContact O-N 2.87Å; M152-I155 PolarHBondContact O-N 3.15Å; I155-R157 PolarHBondContact O-N 3.49Å; I155-Q158 WeakPolarHBondContact O-CB 3.42Å; I155-Q158 PolarHBondContact O-N 3.11Å; I155-Q158 VanDerWaalsContact O-N 3.12Å; I155-Q159 WeakPolarHBondContact O-CG 3.35Å; I155-Q159 PolarHBondContact O-N 3.21Å
156	R	72.8	Confident	71.3	Confident	35 Å²	35	54 Å²	54	13%	0.132	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-45.4	177.4	177.5	56.8	-175.3	-161.2	-2.2	112.3	M152 K153 M154 Q158 Q159 E160	M152-R156 PolarHBondContact O-N 3.4Å; K153-R156 PolarHBondContact O-N 3.22Å; M154-R156 VanDerWaalsContact C-N 3.34Å; M154-R156 PolarHBondContact O-N 2.97Å; R156-Q158 PolarHBondContact O-N 3.25Å; R156-Q159 WeakPolarHBondContact O-CB 3.37Å; R156-Q159 PolarHBondContact O-N 2.86Å; R156-E160 IonicContact CZ-OE1 2.99Å; R156-E160 IonicContact NE-OE1 2.7Å; R156-E160 PolarHBondContact NE-OE1 3.29Å; R156-E160 IonicContact NH2-OE1 2.92Å; R156-E160 WeakPolarHBondContact O-CG 3.32Å; R156-E160 PolarHBondContact O-N 2.99Å
157	R	75.6	Confident	71.4	Confident	149 Å²	149	50.4 Å²	50.4	56%	0.562	24%	0.237	S	C	*	.	H	α-helix	trans	-60.7	-34.9	176.1	-73.1	172.8	175.8	175.4	-1.8	112.2	K153 M154 I155 K161	K153-R157 WeakPolarHBondContact O-CG 3.3Å; K153-R157 PolarHBondContact O-N 3.01Å; K153-R157 VanDerWaalsContact O-N 3.08Å; M154-R157 PolarHBondContact O-N 3.42Å; I155-R157 PolarHBondContact O-N 3.49Å; R157-K161 WeakPolarHBondContact O-CG 3.36Å; R157-K161 PolarHBondContact O-N 2.9Å; R157-K161 VanDerWaalsContact O-N 3.07Å
158	Q	72.1	Confident	71.4	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.009	24%	0.24	C	C	.	.	H	α-helix	trans	-68	-45	174.9	-178.8	-159.7	-20	0	0	112.1	D81 G121 M124 M154 I155 R156 E160 K161 L162	D81-Q158 PolarHBondContact OD1-NE2 3.27Å; G121-Q158 VanDerWaalsContact CA-CD 3.45Å; G121-Q158 PolarHBondContact O-NE2 3.41Å; M124-Q158 HydrophobicContact CE-CB 3.56Å; M124-Q158 HydrophobicContact CE-CG 3.44Å; M124-Q158 VanDerWaalsContact CE-CG 3.44Å; M124-Q158 HydrophobicContact SD-CB 3.64Å; M124-Q158 HydrophobicContact SD-CG 4.11Å; M124-Q158 PolarHBondContact SD-OE1 2.68Å; M154-Q158 PolarHBondContact O-N 3.1Å; I155-Q158 WeakPolarHBondContact O-CB 3.42Å; I155-Q158 PolarHBondContact O-N 3.11Å; I155-Q158 VanDerWaalsContact O-N 3.12Å; R156-Q158 PolarHBondContact O-N 3.25Å; Q158-E160 PolarHBondContact O-N 2.97Å; Q158-K161 WeakPolarHBondContact O-CB 3.42Å; Q158-K161 PolarHBondContact O-N 3.44Å; Q158-K161 VanDerWaalsContact O-N 3.09Å; Q158-L162 HydrophobicContact CG-CD1 4.21Å; Q158-L162 HydrophobicContact CG-CG 4.46Å; Q158-L162 PolarHBondContact O-N 3.32Å
159	Q	70.5	Confident	71.4	Confident	3 Å²	3	50.8 Å²	50.8	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-55.3	-43.8	175.6	-69.7	173.3	-21.8	0	0	110.8	L77 D81 L84 I155 R156 K161 L162 M163	L77-Q159 PolarHBondContact O-NE2 3.22Å; D81-Q159 HydrophobicContact CB-CG 4.17Å; L84-Q159 HydrophobicContact CD1-CB 3.74Å; L84-Q159 HydrophobicContact CD1-CG 4.2Å; L84-Q159 WeakPolarHBondContact CD1-O 3.25Å; I155-Q159 WeakPolarHBondContact O-CG 3.35Å; I155-Q159 PolarHBondContact O-N 3.21Å; R156-Q159 WeakPolarHBondContact O-CB 3.37Å; R156-Q159 PolarHBondContact O-N 2.86Å; Q159-K161 PolarHBondContact O-N 3.38Å; Q159-L162 PolarHBondContact O-N 2.99Å; Q159-M163 WeakPolarHBondContact O-CB 3.22Å; Q159-M163 PolarHBondContact O-N 3.23Å
160	E	70.9	Confident	71.4	Confident	47 Å²	47	52.8 Å²	52.8	22%	0.22	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-45.5	175.4	-71.8	164.1	-174.3	0	0	111.8	R156 Q158 L162 M163 S164	R156-E160 IonicContact CZ-OE1 2.99Å; R156-E160 IonicContact NE-OE1 2.7Å; R156-E160 PolarHBondContact NE-OE1 3.29Å; R156-E160 IonicContact NH2-OE1 2.92Å; R156-E160 WeakPolarHBondContact O-CG 3.32Å; R156-E160 PolarHBondContact O-N 2.99Å; Q158-E160 PolarHBondContact O-N 2.97Å; E160-L162 PolarHBondContact O-N 3.47Å; E160-M163 PolarHBondContact O-N 3.11Å; E160-S164 PolarHBondContact O-N 3.22Å; E160-S164 PolarHBondContact O-OG 3.37Å
161	K	74.2	Confident	71.3	Confident	126 Å²	126	54.7 Å²	54.7	55%	0.548	26%	0.256	S	S	.	.	H	α-helix	trans	-60.1	-43.3	174.6	-71.7	175	-179.2	-174.7	0	112.6	L117 R157 Q158 Q159 M163 S164 L165	L117-K161 HydrophobicContact CD1-CB 3.92Å; L117-K161 HydrophobicContact CD1-CD 4.25Å; R157-K161 WeakPolarHBondContact O-CG 3.36Å; R157-K161 PolarHBondContact O-N 2.9Å; R157-K161 VanDerWaalsContact O-N 3.07Å; Q158-K161 WeakPolarHBondContact O-CB 3.42Å; Q158-K161 PolarHBondContact O-N 3.44Å; Q158-K161 VanDerWaalsContact O-N 3.09Å; Q159-K161 PolarHBondContact O-N 3.38Å; K161-M163 VanDerWaalsContact C-N 3.34Å; K161-S164 PolarHBondContact O-N 3.29Å; K161-L165 VanDerWaalsContact O-CB 3.3Å; K161-L165 WeakPolarHBondContact O-CB 3.29Å; K161-L165 PolarHBondContact O-N 3.39Å
162	L	70	Confident	71	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-41.1	176.9	-75	170.5	0	0	0	111.4	L84 W85 A88 L117 Q158 Q159 E160 L165 H166	L84-L162 HydrophobicContact CB-CB 4.08Å; L84-L162 HydrophobicContact CB-CD1 4.31Å; W85-L162 HydrophobicContact CB-CD1 4.4Å; W85-L162 HydrophobicContact CE3-CD1 4.3Å; W85-L162 HydrophobicContact CE3-CD2 4.39Å; A88-L162 HydrophobicContact CB-CD2 4.14Å; L117-L162 HydrophobicContact CD2-CD2 3.85Å; L117-L162 HydrophobicContact CG-CD2 4.26Å; Q158-L162 HydrophobicContact CG-CD1 4.21Å; Q158-L162 HydrophobicContact CG-CG 4.46Å; Q158-L162 PolarHBondContact O-N 3.32Å; Q159-L162 PolarHBondContact O-N 2.99Å; E160-L162 PolarHBondContact O-N 3.47Å; L162-L165 PolarHBondContact O-N 3.27Å; L162-H166 WeakPolarHBondContact O-CB 3.31Å; L162-H166 PolarHBondContact O-N 2.72Å
163	M	70.8	Confident	70.4	Confident	62 Å²	62	56.4 Å²	56.4	31%	0.305	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-49.5	175.8	-176	176.5	69.5	0	0	111.5	L84 Q159 E160 K161 L165 H166 I167	L84-M163 HydrophobicContact CD2-CB 4.1Å; Q159-M163 WeakPolarHBondContact O-CB 3.22Å; Q159-M163 PolarHBondContact O-N 3.23Å; E160-M163 PolarHBondContact O-N 3.11Å; K161-M163 VanDerWaalsContact C-N 3.34Å; M163-L165 VanDerWaalsContact C-N 3.25Å; M163-L165 PolarHBondContact O-N 2.95Å; M163-H166 WeakPolarHBondContact O-CB 3.32Å; M163-H166 PolarHBondContact O-N 3.04Å; M163-H166 VanDerWaalsContact O-N 3.17Å; M163-I167 HydrophobicContact CG-CD1 4.12Å; M163-I167 WeakPolarHBondContact O-CG1 3.37Å; M163-I167 PolarHBondContact O-N 2.72Å
164	S	73.6	Confident	69.4	Low	56 Å²	56	56.2 Å²	56.2	39%	0.392	27%	0.274	S	S	.	.	H	α-helix	trans	-60	-37.8	176.8	-60.4	0	0	0	0	112.1	E160 K161 K168	E160-S164 PolarHBondContact O-N 3.22Å; E160-S164 PolarHBondContact O-OG 3.37Å; K161-S164 PolarHBondContact O-N 3.29Å; S164-K168 WeakPolarHBondContact O-CB 3.26Å; S164-K168 VanDerWaalsContact O-CG 3.3Å; S164-K168 WeakPolarHBondContact O-CG 3.24Å; S164-K168 PolarHBondContact O-N 3.2Å
165	L	69.7	Low	68.4	Low	26 Å²	26	55 Å²	55	14%	0.136	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-45.8	175.2	-173.9	82	0	0	0	111.7	A88 Y114 L117 K161 L162 M163 I167 K168 L169	A88-L165 HydrophobicContact CB-CD2 4.24Å; Y114-L165 HydrophobicContact CD1-CD2 3.84Å; Y114-L165 HydrophobicContact CE1-CD1 4.17Å; Y114-L165 HydrophobicContact CE1-CD2 3.19Å; Y114-L165 HydrophobicContact CE1-CG 3.86Å; Y114-L165 HydrophobicContact CE2-CD1 4.4Å; Y114-L165 VanDerWaalsContact OH-CD1 3.24Å; Y114-L165 WeakPolarHBondContact OH-CD1 3.35Å; Y114-L165 VanDerWaalsContact OH-CG 3.25Å; Y114-L165 WeakPolarHBondContact OH-CG 2.97Å; L117-L165 HydrophobicContact CD2-CB 4.11Å; L117-L165 HydrophobicContact CD2-CD1 4.3Å; L117-L165 HydrophobicContact CD2-CD2 3.27Å; L117-L165 HydrophobicContact CD2-CG 4.08Å; K161-L165 VanDerWaalsContact O-CB 3.3Å; K161-L165 WeakPolarHBondContact O-CB 3.29Å; K161-L165 PolarHBondContact O-N 3.39Å; L162-L165 PolarHBondContact O-N 3.27Å; M163-L165 VanDerWaalsContact C-N 3.25Å; M163-L165 PolarHBondContact O-N 2.95Å; L165-I167 VanDerWaalsContact C-N 3.32Å; L165-I167 PolarHBondContact O-N 3.26Å; L165-K168 PolarHBondContact O-N 3.49Å; L165-L169 HydrophobicContact CG-CD1 4.3Å; L165-L169 WeakPolarHBondContact O-CG 3.34Å; L165-L169 PolarHBondContact O-N 3.18Å
166	H	68.6	Low	67	Low	50 Å²	50	58.6 Å²	58.6	23%	0.231	30%	0.297	C	S	.	.	H	α-helix	trans	-57.9	-45.9	176.1	175.3	72.6	0	0	0	111.1	S87 L162 M163 K168 L169 V170	S87-H166 PolarHBondContact OG-CE1 3.43Å; S87-H166 PolarHBondContact OG-ND1 3.21Å; L162-H166 WeakPolarHBondContact O-CB 3.31Å; L162-H166 PolarHBondContact O-N 2.72Å; M163-H166 WeakPolarHBondContact O-CB 3.32Å; M163-H166 PolarHBondContact O-N 3.04Å; M163-H166 VanDerWaalsContact O-N 3.17Å; H166-K168 PolarHBondContact O-N 3.32Å; H166-L169 WeakPolarHBondContact O-CB 3.26Å; H166-L169 PolarHBondContact O-N 2.65Å; H166-V170 VanDerWaalsContact O-CG2 3.31Å; H166-V170 WeakPolarHBondContact O-CG2 3.32Å; H166-V170 PolarHBondContact O-N 3.49Å
167	I	71.2	Confident	65.6	Low	76 Å²	76	63.2 Å²	63.2	39%	0.39	32%	0.318	S	S	.	.	H	α-helix	trans	-58.6	-50.4	176	-67	166.1	0	0	0	110.6	M163 L165 L169 V170 E171	M163-I167 HydrophobicContact CG-CD1 4.12Å; M163-I167 WeakPolarHBondContact O-CG1 3.37Å; M163-I167 PolarHBondContact O-N 2.72Å; L165-I167 VanDerWaalsContact C-N 3.32Å; L165-I167 PolarHBondContact O-N 3.26Å; I167-L169 VanDerWaalsContact C-N 3.29Å; I167-L169 PolarHBondContact O-N 3.28Å; I167-V170 PolarHBondContact O-N 2.94Å; I167-E171 HydrophobicContact CG2-CG 4.31Å; I167-E171 WeakPolarHBondContact CG2-OE1 2.94Å; I167-E171 WeakPolarHBondContact O-CB 3.24Å; I167-E171 WeakPolarHBondContact O-CG 3.34Å; I167-E171 PolarHBondContact O-N 2.98Å
168	K	73	Confident	64	Low	141 Å²	141	64.2 Å²	64.2	61%	0.613	32%	0.323	S	S	*	.	H	α-helix	trans	-57.8	-39.9	178.2	-75.4	174.9	-179.8	179.1	0	112.8	S164 L165 H166 S172	S164-K168 WeakPolarHBondContact O-CB 3.26Å; S164-K168 VanDerWaalsContact O-CG 3.3Å; S164-K168 WeakPolarHBondContact O-CG 3.24Å; S164-K168 PolarHBondContact O-N 3.2Å; L165-K168 PolarHBondContact O-N 3.49Å; H166-K168 PolarHBondContact O-N 3.32Å; K168-S172 WeakPolarHBondContact O-CB 2.8Å; K168-S172 PolarHBondContact O-N 3.03Å; K168-S172 PolarHBondContact O-OG 3.14Å
169	L	66.4	Low	62.6	Low	4 Å²	4	71 Å²	71	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-63.4	-49.9	176.7	-79.7	167.2	0	0	0	111.8	E91 Q95 Y114 L165 H166 I167 E171 S172 E173	E91-L169 HydrophobicContact CB-CB 4.24Å; E91-L169 HydrophobicContact CB-CD1 3.7Å; Q95-L169 HydrophobicContact CG-CD2 3.91Å; Q95-L169 PolarHBondContact NE2-O 3.5Å; Y114-L169 HydrophobicContact CE1-CD1 3.7Å; Y114-L169 HydrophobicContact CE2-CD2 4.29Å; Y114-L169 WeakPolarHBondContact OH-CD1 3.29Å; Y114-L169 WeakPolarHBondContact OH-CD2 3.29Å; Y114-L169 WeakPolarHBondContact OH-CG 3.39Å; L165-L169 HydrophobicContact CG-CD1 4.3Å; L165-L169 WeakPolarHBondContact O-CG 3.34Å; L165-L169 PolarHBondContact O-N 3.18Å; H166-L169 WeakPolarHBondContact O-CB 3.26Å; H166-L169 PolarHBondContact O-N 2.65Å; I167-L169 VanDerWaalsContact C-N 3.29Å; I167-L169 PolarHBondContact O-N 3.28Å; L169-E171 VanDerWaalsContact C-N 3.31Å; L169-E171 PolarHBondContact O-N 2.93Å; L169-S172 PolarHBondContact O-N 3.42Å; L169-S172 PolarHBondContact O-OG 3.11Å; L169-E173 PolarHBondContact O-N 3.37Å
170	V	68.7	Low	60.9	Low	49 Å²	49	76 Å²	76	30%	0.297	39%	0.387	S	S	.	.	H	α-helix	trans	-61.2	-42.4	179.1	172.7	0	0	0	0	110.6	H166 I167 E173 T174	H166-V170 VanDerWaalsContact O-CG2 3.31Å; H166-V170 WeakPolarHBondContact O-CG2 3.32Å; H166-V170 PolarHBondContact O-N 3.49Å; I167-V170 PolarHBondContact O-N 2.94Å; V170-E173 WeakPolarHBondContact O-CB 3.49Å; V170-E173 PolarHBondContact O-N 2.68Å; V170-T174 PolarHBondContact O-N 3.45Å
171	E	71.5	Confident	59.4	Low	109 Å²	109	77.7 Å²	77.7	51%	0.509	40%	0.404	S	S	.	.	H	α-helix	trans	-65.6	-37.4	177	-72.9	176.9	171	0	0	113.3	I167 L169 E173 T174 T175	I167-E171 HydrophobicContact CG2-CG 4.31Å; I167-E171 WeakPolarHBondContact CG2-OE1 2.94Å; I167-E171 WeakPolarHBondContact O-CB 3.24Å; I167-E171 WeakPolarHBondContact O-CG 3.34Å; I167-E171 PolarHBondContact O-N 2.98Å; L169-E171 VanDerWaalsContact C-N 3.31Å; L169-E171 PolarHBondContact O-N 2.93Å; E171-E173 VanDerWaalsContact C-N 3.28Å; E171-E173 PolarHBondContact O-N 3.31Å; E171-T174 WeakPolarHBondContact CA-OG1 3.28Å; E171-T174 PolarHBondContact O-N 3.28Å; E171-T174 PolarHBondContact O-OG1 3.45Å; E171-T175 WeakPolarHBondContact O-CB 3.15Å; E171-T175 PolarHBondContact O-N 2.92Å; E171-T175 PolarHBondContact O-OG1 3.32Å
172	S	64.9	Low	57.8	Low	46 Å²	46	79.3 Å²	79.3	32%	0.322	41%	0.413	S	S	.	.	H	α-helix	trans	-68.8	-27.1	176.9	63.4	0	0	0	0	112.9	Q95 K168 L169 S176	Q95-S172 PolarHBondContact NE2-OG 3.33Å; K168-S172 WeakPolarHBondContact O-CB 2.8Å; K168-S172 PolarHBondContact O-N 3.03Å; K168-S172 PolarHBondContact O-OG 3.14Å; L169-S172 PolarHBondContact O-N 3.42Å; L169-S172 PolarHBondContact O-OG 3.11Å; S172-S176 WeakPolarHBondContact O-CB 3.18Å; S172-S176 PolarHBondContact O-N 3.07Å; S172-S176 VanDerWaalsContact O-N 3.16Å; S172-S176 PolarHBondContact O-OG 2.73Å
173	E	56.3	Low	56.4	Low	42 Å²	42	88.3 Å²	88.3	20%	0.196	45%	0.453	C	S	.	.	H	α-helix	trans	-69.9	-44.6	171.2	-165.6	-157.8	-175.6	0	0	111.5	R94 L169 V170 E171 S176 K177	R94-E173 IonicContact CZ-OE1 3.7Å; R94-E173 IonicContact CZ-OE2 3.66Å; R94-E173 IonicContact NH1-OE1 3.89Å; R94-E173 PolarHBondContact NH1-OE1 2.99Å; R94-E173 IonicContact NH1-OE2 3.58Å; R94-E173 PolarHBondContact NH1-OE2 2.66Å; R94-E173 IonicContact NH2-OE1 2.87Å; R94-E173 IonicContact NH2-OE2 3.49Å; R94-E173 PolarHBondContact NH2-OE2 2.98Å; L169-E173 PolarHBondContact O-N 3.37Å; V170-E173 WeakPolarHBondContact O-CB 3.49Å; V170-E173 PolarHBondContact O-N 2.68Å; E171-E173 VanDerWaalsContact C-N 3.28Å; E171-E173 PolarHBondContact O-N 3.31Å; E173-S176 PolarHBondContact O-N 3.08Å; E173-K177 HydrophobicContact CG-CD 4.46Å; E173-K177 PolarHBondContact O-N 3.06Å; E173-K177 WeakPolarHBondContact OE1-CE 3.13Å; E173-K177 IonicContact OE1-NZ 3.91Å; E173-K177 PolarHBondContact OE1-NZ 3.42Å; E173-K177 IonicContact OE2-NZ 2.69Å
174	T	53.2	Low	55	Low	60 Å²	60	94.4 Å²	94.4	37%	0.368	48%	0.478	S	S	.	.	H	α-helix	trans	-64.7	-43.3	178.1	54.8	0	0	0	0	110.6	V170 E171 S176 K177 Y178	V170-T174 PolarHBondContact O-N 3.45Å; E171-T174 WeakPolarHBondContact CA-OG1 3.28Å; E171-T174 PolarHBondContact O-N 3.28Å; E171-T174 PolarHBondContact O-OG1 3.45Å; T174-S176 PolarHBondContact O-N 3.32Å; T174-K177 PolarHBondContact O-N 3.13Å; T174-K177 VanDerWaalsContact O-N 3.11Å; T174-Y178 WeakPolarHBondContact O-CD2 3.49Å; T174-Y178 PolarHBondContact O-N 2.72Å
175	T	50.3	Low	53.3	Low	68 Å²	68	100.9 Å²	100.9	42%	0.417	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-31.8	177.6	-39.4	0	0	0	0	112.4	E171 K179	E171-T175 WeakPolarHBondContact O-CB 3.15Å; E171-T175 PolarHBondContact O-N 2.92Å; E171-T175 PolarHBondContact O-OG1 3.32Å; T175-K179 HydrophobicContact CG2-CD 4.44Å; T175-K179 WeakPolarHBondContact O-CB 3Å; T175-K179 WeakPolarHBondContact O-CG 3.06Å; T175-K179 PolarHBondContact O-N 2.92Å; T175-K179 VanDerWaalsContact O-N 3.14Å
176	S	42.8	Very low	51.8	Low	80 Å²	80	105.7 Å²	105.7	56%	0.559	53%	0.533	S	S	*	.	H	α-helix	trans	-75.3	-34.8	175.1	-60.1	0	0	0	0	112.7	S172 E173 T174	S172-S176 WeakPolarHBondContact O-CB 3.18Å; S172-S176 PolarHBondContact O-N 3.07Å; S172-S176 VanDerWaalsContact O-N 3.16Å; S172-S176 PolarHBondContact O-OG 2.73Å; E173-S176 PolarHBondContact O-N 3.08Å; T174-S176 PolarHBondContact O-N 3.32Å
177	K	43.8	Very low	50.4	Low	131 Å²	131	112.1 Å²	112.1	57%	0.57	56%	0.564	S	S	*	*	H	α-helix	trans	-68.9	-32.2	175.2	-78.1	176	172.4	167.6	0	112.9	E173 T174	E173-K177 HydrophobicContact CG-CD 4.46Å; E173-K177 PolarHBondContact O-N 3.06Å; E173-K177 WeakPolarHBondContact OE1-CE 3.13Å; E173-K177 IonicContact OE1-NZ 3.91Å; E173-K177 PolarHBondContact OE1-NZ 3.42Å; E173-K177 IonicContact OE2-NZ 2.69Å; T174-K177 PolarHBondContact O-N 3.13Å; T174-K177 VanDerWaalsContact O-N 3.11Å
178	Y	41.4	Very low	48.9	Very low	170 Å²	170	116.8 Å²	116.8	67%	0.667	59%	0.59	S	S	*	*	H	α-helix	trans	-88.1	-24.6	178.2	-67.6	-70	0	0	0	114.3	T174 S181	T174-Y178 WeakPolarHBondContact O-CD2 3.49Å; T174-Y178 PolarHBondContact O-N 2.72Å; Y178-S181 PolarHBondContact O-OG 3.44Å; Y178-S181 VanDerWaalsContact O-OG 3.07Å
179	K	42.3	Very low	47.2	Very low	144 Å²	144	113.4 Å²	113.4	63%	0.626	60%	0.595	S	S	*	*	H	α-helix	trans	-77.1	-18.6	175.1	-79.3	-176	176.6	-179.2	0	114.4	T175	T175-K179 HydrophobicContact CG2-CD 4.44Å; T175-K179 WeakPolarHBondContact O-CB 3Å; T175-K179 WeakPolarHBondContact O-CG 3.06Å; T175-K179 PolarHBondContact O-N 2.92Å; T175-K179 VanDerWaalsContact O-N 3.14Å
180	C	34.8	Very low	45.7	Very low	110 Å²	110	125.4 Å²	125.4	74%	0.743	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-9.2	179.8	-150.7	0	0	0	0	114
181	S	39.2	Very low	44.5	Very low	82 Å²	82	129.3 Å²	129.3	57%	0.573	68%	0.676	S	S	*	*	S	Bend	trans	-92.9	-10.4	175.8	43.9	0	0	0	0	114.7	Y178	Y178-S181 PolarHBondContact O-OG 3.44Å; Y178-S181 VanDerWaalsContact O-OG 3.07Å
182	E	40.7	Very low	43.1	Very low	159 Å²	159	130.3 Å²	130.3	74%	0.743	68%	0.684	S	S	*	*	S	Bend	trans	-98.3	4.7	-174.4	-76.3	-174	152.6	0	0	115.3
183	F	41.6	Very low	41.9	Very low	190 Å²	190	135 Å²	135	83%	0.833	70%	0.704	S	S	*	*	S	Bend	trans	-115.2	25.9	179.7	-81.1	-83.8	0	0	0	114.9
184	K	41.6	Very low	41.1	Very low	189 Å²	189	140.5 Å²	140.5	82%	0.822	73%	0.734	S	S	*	*	S	Bend	trans	-123.7	22.7	179.2	-95.7	-169.9	-180	-179.2	0	116.1
185	F	38	Very low	40.3	Very low	192 Å²	192	145.5 Å²	145.5	84%	0.842	76%	0.757	S	S	*	*	S	Bend	trans	-128.5	132.7	167.4	-86.3	-92.6	0	0	0	110
186	C	37.7	Very low	39.6	Very low	127 Å²	127	150.7 Å²	150.7	86%	0.858	78%	0.78	S	S	*	*	S	Bend	trans	93.7	39.5	174.3	-50.9	0	0	0	0	118.7
187	E	39.8	Very low	39.4	Very low	185 Å²	185	155.7 Å²	155.7	86%	0.864	80%	0.796	S	S	*	*	S	Bend	trans	-125.1	82.8	145.4	-80.7	-170.7	162	0	0	107.4
188	N	38.3	Very low	39.1	Very low	175 Å²	175	157.6 Å²	157.6	94%	0.936	81%	0.813	S	S	*	*			trans	163.5	111.7	159.1	-84.1	-38.3	0	0	0	109.8
189	G	38.2	Very low	38.9	Very low	70 Å²	70	156.6 Å²	156.6	72%	0.722	83%	0.825	S	S	*	*			trans	139.7	81.6	-179	0	0	0	0	0	108.4
190	L	34.3	Very low	38.6	Very low	256 Å²	256	157.7 Å²	157.7	100%	1.34	84%	0.843	S	S	*	*				41.3	0	79.3	-85.8	170.6	0	0	0	112.6

Retrieved 190 of 190 residues in 644.4 ms (Link to these results)

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