A0A077ZEJ4_TRITR Loading...

MarR domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEJ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 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	30.7	Very low	49.9	Very low	243 Å²	243	117 Å²	117	100%	1.197	62%	0.616	S	S	*	*				0	100.3	0	-72.5	175.2	171.8	0	0	108.1	K3	M1-K3 PolarHBondContact O-N 3.16Å
2	A	34.9	Very low	52.1	Low	103 Å²	103	109.1 Å²	109.1	85%	0.851	58%	0.584	S	S	*	*			trans	-73.5	116.3	176.7	0	0	0	0	0	108.7	N4	A2-N4 PolarHBondContact O-N 3.19Å; A2-N4 VanDerWaalsContact O-N 3.1Å
3	K	36.3	Very low	54.4	Low	195 Å²	195	103.1 Å²	103.1	85%	0.848	55%	0.55	S	S	*	*			trans	-68.9	104.8	169.9	-73.7	176.5	177.8	177.1	0	106.5	M1 Q5	M1-K3 PolarHBondContact O-N 3.16Å; K3-Q5 PolarHBondContact O-N 3.37Å
4	N	40.5	Very low	56.6	Low	165 Å²	165	95.7 Å²	95.7	88%	0.882	51%	0.511	S	S	*	.			trans	-63.2	88.5	172.3	-127.4	11.8	0	0	0	108	A2 G6	A2-N4 PolarHBondContact O-N 3.19Å; A2-N4 VanDerWaalsContact O-N 3.1Å; N4-G6 PolarHBondContact O-N 2.84Å
5	Q	49.1	Very low	58.5	Low	124 Å²	124	95.9 Å²	95.9	58%	0.579	50%	0.501	S	S	*	.			trans	-73.8	74	168.4	-82.8	-170	-2.3	0	0	107.3	K3 Y7	K3-Q5 PolarHBondContact O-N 3.37Å; Q5-Y7 PolarHBondContact O-N 3.28Å
6	G	52.3	Low	60.5	Low	42 Å²	42	89.9 Å²	89.9	43%	0.433	47%	0.47	S	S	.	.			trans	-60.2	121.3	171.4	0	0	0	0	0	109.5	N4 G8	N4-G6 PolarHBondContact O-N 2.84Å; G6-G8 PolarHBondContact O-N 3.37Å
7	Y	57.9	Low	62.3	Low	35 Å²	35	84.6 Å²	84.6	14%	0.137	44%	0.442	C	S	.	.			trans	-75.3	74.7	168.2	-57.6	-88.8	0	0	0	108.3	Q5 Q13 L17 L49 K52 L54 E78 I82	Q5-Y7 PolarHBondContact O-N 3.28Å; Y7-Q13 HydrophobicContact CD1-CB 3.77Å; Y7-Q13 HydrophobicContact CE1-CB 4.08Å; Y7-L17 HydrophobicContact CD1-CD1 4.12Å; Y7-L17 HydrophobicContact CE1-CD1 4.49Å; Y7-L17 HydrophobicContact CG-CD1 4.34Å; Y7-L49 HydrophobicContact CE1-CD2 4.31Å; Y7-K52 WeakPolarHBondContact OH-CD 3.45Å; Y7-K52 WeakPolarHBondContact OH-CE 3.42Å; Y7-K52 PolarHBondContact OH-NZ 2.99Å; Y7-L54 HydrophobicContact CE1-CD1 4.14Å; Y7-E78 HydrophobicContact CD2-CG 3.84Å; Y7-E78 WeakPolarHBondContact CD2-OE1 3.49Å; Y7-E78 HydrophobicContact CE2-CG 3.87Å; Y7-E78 VanDerWaalsContact CE2-OE1 3.29Å; Y7-E78 WeakPolarHBondContact CE2-OE1 3.44Å; Y7-I82 HydrophobicContact CG-CD1 4.41Å; Y7-I82 WeakPolarHBondContact O-CG1 3.42Å
8	G	56.7	Low	63.6	Low	26 Å²	26	81.2 Å²	81.2	27%	0.268	43%	0.429	S	S	.	.			trans	-58.4	139.6	170.4	0	0	0	0	0	109.4	G6 H10 R11	G6-G8 PolarHBondContact O-N 3.37Å; G8-H10 PolarHBondContact O-N 3.01Å; G8-R11 WeakPolarHBondContact O-CB 3.43Å; G8-R11 PolarHBondContact O-N 3.49Å
9	P	57.3	Low	64.9	Low	46 Å²	46	77.8 Å²	77.8	30%	0.299	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.4	-178.9	20.8	-31.6	0	0	0	112.3	R15 I82	P9-R15 WeakPolarHBondContact O-CG 3.43Å; P9-R15 PolarHBondContact O-N 3.38Å; P9-I82 HydrophobicContact CB-CG2 3.76Å; P9-I82 HydrophobicContact CG-CG2 4.41Å
10	H	59.6	Low	66.2	Low	143 Å²	143	74 Å²	74	66%	0.662	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.9	177.9	-49.4	-61.9	0	0	0	114.6	G8	G8-H10 PolarHBondContact O-N 3.01Å
11	R	73.6	Confident	67.3	Low	165 Å²	165	74.2 Å²	74.2	62%	0.623	39%	0.388	S	S	*	.	S	Bend	trans	-86.6	146.8	175.5	-62.9	-172.9	175.9	-171.9	-2.3	109.7	G8 Q13 G14 R15	G8-R11 WeakPolarHBondContact O-CB 3.43Å; G8-R11 PolarHBondContact O-N 3.49Å; R11-Q13 VanDerWaalsContact C-N 3.26Å; R11-Q13 PolarHBondContact O-N 2.87Å; R11-G14 WeakPolarHBondContact O-CA 3.49Å; R11-G14 PolarHBondContact O-N 2.79Å; R11-R15 PolarHBondContact O-N 3.09Å
12	G	76.3	Confident	69.9	Low	22 Å²	22	69.1 Å²	69.1	23%	0.227	36%	0.363	C	S	.	.	H	α-helix	trans	-49.3	-40.3	-172.7	0	0	0	0	0	115.1	V16	G12-V16 WeakPolarHBondContact O-CG2 3.22Å; G12-V16 PolarHBondContact O-N 3.1Å
13	Q	82.3	Confident	72.3	Confident	31 Å²	31	67.2 Å²	67.2	15%	0.145	34%	0.339	C	S	.	.	H	α-helix	trans	-70.6	-41.5	175.6	-70.3	-179.1	-4.5	0	0	113	Y7 R11 V16 L17 L45 L49	Y7-Q13 HydrophobicContact CD1-CB 3.77Å; Y7-Q13 HydrophobicContact CE1-CB 4.08Å; R11-Q13 VanDerWaalsContact C-N 3.26Å; R11-Q13 PolarHBondContact O-N 2.87Å; Q13-V16 PolarHBondContact O-N 2.8Å; Q13-L17 WeakPolarHBondContact O-CG 3.36Å; Q13-L17 PolarHBondContact O-N 3.27Å; Q13-L17 VanDerWaalsContact O-N 3.11Å; Q13-L45 HydrophobicContact CG-CD2 3.84Å; Q13-L49 HydrophobicContact CB-CD2 3.97Å; Q13-L49 HydrophobicContact CB-CG 4.48Å; Q13-L49 HydrophobicContact CG-CD2 4.15Å; Q13-L49 HydrophobicContact CG-CG 4.28Å
14	G	84.5	Confident	74.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.6	-37.7	178.4	0	0	0	0	0	112.5	R11 V16 L17 A18	R11-G14 WeakPolarHBondContact O-CA 3.49Å; R11-G14 PolarHBondContact O-N 2.79Å; G14-V16 VanDerWaalsContact C-N 3.34Å; G14-V16 PolarHBondContact O-N 2.8Å; G14-L17 PolarHBondContact O-N 2.83Å; G14-A18 WeakPolarHBondContact O-CB 3.4Å; G14-A18 PolarHBondContact O-N 3.26Å
15	R	85.4	Confident	76.8	Confident	98 Å²	98	58.9 Å²	58.9	37%	0.37	31%	0.305	S	S	.	.	H	α-helix	trans	-58.9	-42.8	172.9	-68.7	-178.6	66.7	-162.4	-4.3	112.2	P9 R11 L19 L35	P9-R15 WeakPolarHBondContact O-CG 3.43Å; P9-R15 PolarHBondContact O-N 3.38Å; R11-R15 PolarHBondContact O-N 3.09Å; R15-L19 VanDerWaalsContact O-CB 3.25Å; R15-L19 WeakPolarHBondContact O-CB 2.9Å; R15-L19 PolarHBondContact O-N 3.3Å; R15-L35 HydrophobicContact CB-CD2 4.02Å
16	V	90.2	Very high	78.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-46.1	177.4	174.2	0	0	0	0	110.8	G12 Q13 G14 L19 L20 L31 L35 L46 L49	G12-V16 WeakPolarHBondContact O-CG2 3.22Å; G12-V16 PolarHBondContact O-N 3.1Å; Q13-V16 PolarHBondContact O-N 2.8Å; G14-V16 VanDerWaalsContact C-N 3.34Å; G14-V16 PolarHBondContact O-N 2.8Å; V16-L19 PolarHBondContact O-N 3.09Å; V16-L20 HydrophobicContact CG1-CD1 3.78Å; V16-L20 HydrophobicContact CG1-CG 4.38Å; V16-L20 WeakPolarHBondContact O-CB 3.35Å; V16-L20 WeakPolarHBondContact O-CG 3.43Å; V16-L20 PolarHBondContact O-N 3.1Å; V16-L31 HydrophobicContact CG1-CD2 4.14Å; V16-L31 HydrophobicContact CG2-CD2 4.32Å; V16-L35 HydrophobicContact CG2-CD1 3.64Å; V16-L46 HydrophobicContact CG1-CD2 4.16Å; V16-L49 HydrophobicContact CB-CD1 3.76Å; V16-L49 HydrophobicContact CG1-CD1 3.47Å; V16-L49 VanDerWaalsContact CG1-CD1 3.47Å; V16-L49 HydrophobicContact CG2-CD1 4.4Å
17	L	90.9	Very high	80.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-45.1	179.4	-68.2	174.2	0	0	0	112.1	Y7 Q13 G14 L19 L20 K21 L49 L54 I55 L71 E78 A79 I82	Y7-L17 HydrophobicContact CD1-CD1 4.12Å; Y7-L17 HydrophobicContact CE1-CD1 4.49Å; Y7-L17 HydrophobicContact CG-CD1 4.34Å; Q13-L17 WeakPolarHBondContact O-CG 3.36Å; Q13-L17 PolarHBondContact O-N 3.27Å; Q13-L17 VanDerWaalsContact O-N 3.11Å; G14-L17 PolarHBondContact O-N 2.83Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.22Å; L17-L20 PolarHBondContact O-N 2.87Å; L17-K21 PolarHBondContact O-N 3.2Å; L17-L49 HydrophobicContact CD1-CD2 4.1Å; L17-L49 HydrophobicContact CD2-CD2 4.14Å; L17-L49 HydrophobicContact CG-CD2 4.06Å; L17-L54 HydrophobicContact CD1-CD1 4.19Å; L17-L54 HydrophobicContact CD2-CB 4.16Å; L17-I55 HydrophobicContact CD2-CG2 4.46Å; L17-L71 HydrophobicContact CD2-CD2 3.5Å; L17-E78 HydrophobicContact CD1-CG 4.32Å; L17-A79 HydrophobicContact CB-CB 4.16Å; L17-I82 HydrophobicContact CB-CD1 3.83Å; L17-I82 HydrophobicContact CD1-CD1 3.62Å; L17-I82 HydrophobicContact CG-CD1 4.37Å
18	A	86.5	Confident	82.5	Confident	24 Å²	24	52.6 Å²	52.6	20%	0.198	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-43	176.1	0	0	0	0	0	111.6	G14 K21 M22	G14-A18 WeakPolarHBondContact O-CB 3.4Å; G14-A18 PolarHBondContact O-N 3.26Å; A18-K21 PolarHBondContact O-N 2.96Å; A18-M22 PolarHBondContact O-N 3.28Å
19	L	89	Confident	84.1	Confident	16 Å²	16	58.4 Å²	58.4	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-47.6	176.4	-174.6	157.9	0	0	0	111.8	R15 V16 L17 K21 M22 N23 I26 L31 V34 L35	R15-L19 VanDerWaalsContact O-CB 3.25Å; R15-L19 WeakPolarHBondContact O-CB 2.9Å; R15-L19 PolarHBondContact O-N 3.3Å; V16-L19 PolarHBondContact O-N 3.09Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.22Å; L19-K21 PolarHBondContact O-N 3.38Å; L19-M22 PolarHBondContact O-N 3.5Å; L19-M22 VanDerWaalsContact O-N 3.16Å; L19-N23 PolarHBondContact O-N 3.03Å; L19-I26 HydrophobicContact CD1-CD1 4.45Å; L19-I26 HydrophobicContact CD2-CB 4.4Å; L19-I26 HydrophobicContact CD2-CD1 3.53Å; L19-I26 HydrophobicContact CD2-CG2 4.12Å; L19-L31 HydrophobicContact CD1-CD1 3.87Å; L19-L31 HydrophobicContact CD2-CD1 4Å; L19-L31 HydrophobicContact CG-CD1 4.49Å; L19-V34 HydrophobicContact CD1-CB 4Å; L19-V34 HydrophobicContact CD1-CG1 3.29Å; L19-L35 HydrophobicContact CD1-CD2 4.41Å
20	L	90.5	Very high	85.8	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-66.4	-26.9	180	-72	166.6	0	0	0	112.8	V16 L17 N23 P24 I26 I55 I69 L71	V16-L20 HydrophobicContact CG1-CD1 3.78Å; V16-L20 HydrophobicContact CG1-CG 4.38Å; V16-L20 WeakPolarHBondContact O-CB 3.35Å; V16-L20 WeakPolarHBondContact O-CG 3.43Å; V16-L20 PolarHBondContact O-N 3.1Å; L17-L20 PolarHBondContact O-N 2.87Å; L20-N23 CarbonylContact C-O 3.58Å; L20-N23 WeakPolarHBondContact CA-O 3.41Å; L20-N23 CarbonylContact O-C 3.38Å; L20-N23 VanDerWaalsContact O-O 3.06Å; L20-P24 WeakPolarHBondContact O-CA 3.43Å; L20-I26 HydrophobicContact CD2-CG2 3.5Å; L20-I26 VanDerWaalsContact CD2-CG2 3.5Å; L20-I55 HydrophobicContact CD1-CG2 3.69Å; L20-I69 HydrophobicContact CD1-CG2 3.78Å; L20-I69 HydrophobicContact CD2-CB 4.27Å; L20-I69 HydrophobicContact CD2-CG2 3.94Å; L20-L71 HydrophobicContact CB-CD1 3.91Å; L20-L71 HydrophobicContact CB-CD2 3.92Å; L20-L71 HydrophobicContact CB-CG 3.64Å; L20-L71 HydrophobicContact CD1-CD2 3.94Å; L20-L71 HydrophobicContact CD1-CG 4.27Å
21	K	88	Confident	87.3	Confident	79 Å²	79	52.1 Å²	52.1	34%	0.343	25%	0.253	S	S	.	.	H	α-helix	trans	-65.8	-40.4	172.9	-175.6	179.7	175.4	-177.4	0	111.5	L17 A18 L19 L71 A79 S83	L17-K21 PolarHBondContact O-N 3.2Å; A18-K21 PolarHBondContact O-N 2.96Å; L19-K21 PolarHBondContact O-N 3.38Å; K21-L71 HydrophobicContact CB-CD1 4.34Å; K21-A79 HydrophobicContact CB-CB 4.08Å; K21-A79 HydrophobicContact CD-CB 4.16Å; K21-A79 HydrophobicContact CG-CB 4.49Å; K21-S83 PolarHBondContact NZ-OG 3.4Å
22	M	85.2	Confident	88.1	Confident	137 Å²	137	45.5 Å²	45.5	68%	0.675	23%	0.231	S	C	*	.	H	α-helix	trans	-77.9	-33.3	177.2	-63.4	-177.3	-67	0	0	112.4	A18 L19	A18-M22 PolarHBondContact O-N 3.28Å; L19-M22 PolarHBondContact O-N 3.5Å; L19-M22 VanDerWaalsContact O-N 3.16Å
23	N	86.6	Confident	88.7	Confident	62 Å²	62	49.5 Å²	49.5	33%	0.332	24%	0.243	S	C	.	.	S	Bend	trans	-127.7	95.5	179.2	-173.6	7.1	0	0	0	110.1	L19 L20 E25	L19-N23 PolarHBondContact O-N 3.03Å; L20-N23 CarbonylContact C-O 3.58Å; L20-N23 WeakPolarHBondContact CA-O 3.41Å; L20-N23 CarbonylContact O-C 3.38Å; L20-N23 VanDerWaalsContact O-O 3.06Å; N23-E25 PolarHBondContact O-N 3.13Å; N23-E25 PolarHBondContact OD1-O 2.67Å; N23-E25 VanDerWaalsContact OD1-O 3.12Å
24	P	83	Confident	89	Confident	88 Å²	88	49.5 Å²	49.5	57%	0.571	25%	0.245	S	C	*	.	S	Bend	trans	-58	-24	-170.2	-27.4	34.8	0	0	0	115.1	L20	L20-P24 WeakPolarHBondContact O-CA 3.43Å
25	E	87.3	Confident	89.2	Confident	98 Å²	98	50 Å²	50	46%	0.458	25%	0.248	S	C	.	.			trans	-134.2	120.6	179.2	-52.9	-163.5	165	0	0	110.9	N23 I68 R70	N23-E25 PolarHBondContact O-N 3.13Å; N23-E25 PolarHBondContact OD1-O 2.67Å; N23-E25 VanDerWaalsContact OD1-O 3.12Å; E25-I68 HydrophobicContact CB-CG2 4.12Å; E25-R70 HydrophobicContact CG-CG 4.17Å; E25-R70 IonicContact OE1-CZ 3.03Å; E25-R70 VanDerWaalsContact OE1-CZ 3.23Å; E25-R70 IonicContact OE1-NE 2.67Å; E25-R70 PolarHBondContact OE1-NE 3.3Å; E25-R70 IonicContact OE1-NH2 3.68Å; E25-R70 PolarHBondContact OE1-NH2 2.88Å; E25-R70 IonicContact OE2-CZ 3.5Å; E25-R70 IonicContact OE2-NE 3.48Å; E25-R70 IonicContact OE2-NH2 2.78Å; E25-R70 PolarHBondContact OE2-NH2 3.04Å
26	I	92.9	Very high	89.3	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.1	175.4	-166.9	166.5	0	0	0	110.7	L19 L20 D30 L31 V34 I69	L19-I26 HydrophobicContact CD1-CD1 4.45Å; L19-I26 HydrophobicContact CD2-CB 4.4Å; L19-I26 HydrophobicContact CD2-CD1 3.53Å; L19-I26 HydrophobicContact CD2-CG2 4.12Å; L20-I26 HydrophobicContact CD2-CG2 3.5Å; L20-I26 VanDerWaalsContact CD2-CG2 3.5Å; I26-D30 HydrophobicContact CD1-CB 3.88Å; I26-D30 HydrophobicContact CG1-CB 3.62Å; I26-L31 HydrophobicContact CD1-CB 4.36Å; I26-L31 HydrophobicContact CD1-CD1 4.36Å; I26-L31 HydrophobicContact CG2-CB 4.46Å; I26-L31 HydrophobicContact CG2-CD1 4.36Å; I26-V34 HydrophobicContact CD1-CG2 4.43Å; I26-I69 HydrophobicContact CG2-CB 4.39Å; I26-I69 PolarHBondContact N-O 2.92Å; I26-I69 WeakPolarHBondContact O-CD1 3.36Å; I26-I69 PolarHBondContact O-N 3Å
27	S	93.5	Very high	89.2	Confident	10 Å²	10	49.4 Å²	49.4	7%	0.07	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	154.2	172.6	78.5	0	0	0	0	111.1	K29 D30 L31 M67	S27-K29 PolarHBondContact O-N 3.48Å; S27-D30 PolarHBondContact O-N 2.83Å; S27-D30 WeakPolarHBondContact OG-CB 3.41Å; S27-D30 PolarHBondContact OG-N 2.92Å; S27-D30 PolarHBondContact OG-OD1 3.35Å; S27-D30 PolarHBondContact OG-OD2 3.47Å; S27-L31 WeakPolarHBondContact O-CB 3.45Å; S27-L31 PolarHBondContact O-N 2.98Å; S27-M67 CarbonylContact C-O 3.48Å; S27-M67 VanDerWaalsContact CA-O 3.31Å; S27-M67 WeakPolarHBondContact CA-O 3.45Å
28	Q	93	Very high	89.1	Confident	52 Å²	52	58.8 Å²	58.8	24%	0.243	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-36.1	175.2	-172.2	170.6	-34.5	0	0	111.8	L31 T32 V42 L46 M67 I69	Q28-L31 PolarHBondContact O-N 3.15Å; Q28-T32 WeakPolarHBondContact O-CG2 3.37Å; Q28-T32 PolarHBondContact O-N 3.41Å; Q28-V42 HydrophobicContact CG-CG1 4.14Å; Q28-L46 HydrophobicContact CG-CD1 3.89Å; Q28-M67 HydrophobicContact CB-CB 4.48Å; Q28-M67 PolarHBondContact N-O 3.5Å; Q28-I69 VanDerWaalsContact CA-CD1 3.47Å; Q28-I69 HydrophobicContact CB-CD1 3.8Å
29	K	91.1	Very high	89.4	Confident	148 Å²	148	60.6 Å²	60.6	64%	0.643	31%	0.309	S	S	*	.	H	α-helix	trans	-62.9	-48.2	176.7	-176.6	-175	173.7	-170.4	0	110.5	S27 L31 T32 F33	S27-K29 PolarHBondContact O-N 3.48Å; K29-L31 VanDerWaalsContact C-N 3.28Å; K29-L31 PolarHBondContact O-N 2.88Å; K29-T32 PolarHBondContact O-N 3.19Å; K29-T32 VanDerWaalsContact O-N 3.15Å; K29-T32 PolarHBondContact O-OG1 3.16Å; K29-F33 PolarHBondContact O-N 2.93Å; K29-F33 VanDerWaalsContact O-N 3.1Å
30	D	91.5	Very high	89.5	Confident	57 Å²	57	66.8 Å²	66.8	31%	0.305	34%	0.338	S	S	.	.	H	α-helix	trans	-64.3	-39.3	179	-58.1	-29.1	0	0	0	110.3	I26 S27 T32 F33 V34 R154	I26-D30 HydrophobicContact CD1-CB 3.88Å; I26-D30 HydrophobicContact CG1-CB 3.62Å; S27-D30 PolarHBondContact O-N 2.83Å; S27-D30 WeakPolarHBondContact OG-CB 3.41Å; S27-D30 PolarHBondContact OG-N 2.92Å; S27-D30 PolarHBondContact OG-OD1 3.35Å; S27-D30 PolarHBondContact OG-OD2 3.47Å; D30-T32 VanDerWaalsContact C-N 3.29Å; D30-T32 PolarHBondContact O-N 2.98Å; D30-F33 WeakPolarHBondContact O-CB 3.24Å; D30-F33 PolarHBondContact O-N 2.78Å; D30-F33 VanDerWaalsContact O-N 3.13Å; D30-V34 VanDerWaalsContact O-CG2 3.25Å; D30-V34 WeakPolarHBondContact O-CG2 3.5Å; D30-V34 PolarHBondContact O-N 3.42Å; D30-R154 IonicContact OD2-NH1 2.89Å
31	L	91.7	Very high	89.6	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-37.6	175.9	-168.1	65.2	0	0	0	112.4	V16 L19 I26 S27 Q28 K29 L35 V42 L46	V16-L31 HydrophobicContact CG1-CD2 4.14Å; V16-L31 HydrophobicContact CG2-CD2 4.32Å; L19-L31 HydrophobicContact CD1-CD1 3.87Å; L19-L31 HydrophobicContact CD2-CD1 4Å; L19-L31 HydrophobicContact CG-CD1 4.49Å; I26-L31 HydrophobicContact CD1-CB 4.36Å; I26-L31 HydrophobicContact CD1-CD1 4.36Å; I26-L31 HydrophobicContact CG2-CB 4.46Å; I26-L31 HydrophobicContact CG2-CD1 4.36Å; S27-L31 WeakPolarHBondContact O-CB 3.45Å; S27-L31 PolarHBondContact O-N 2.98Å; Q28-L31 PolarHBondContact O-N 3.15Å; K29-L31 VanDerWaalsContact C-N 3.28Å; K29-L31 PolarHBondContact O-N 2.88Å; L31-L35 HydrophobicContact CD1-CD1 3.76Å; L31-L35 HydrophobicContact CD1-CG 4.06Å; L31-L35 HydrophobicContact CD2-CD1 4.48Å; L31-L35 HydrophobicContact CG-CD1 3.76Å; L31-L35 HydrophobicContact CG-CG 4.34Å; L31-L35 VanDerWaalsContact O-CB 3.29Å; L31-L35 WeakPolarHBondContact O-CB 3.29Å; L31-L35 VanDerWaalsContact O-CG 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.12Å; L31-L35 PolarHBondContact O-N 2.97Å; L31-V42 HydrophobicContact CB-CG1 4.36Å; L31-V42 HydrophobicContact CD2-CG1 3.7Å; L31-V42 HydrophobicContact CG-CG1 4.05Å; L31-L46 HydrophobicContact CD2-CD1 4.22Å; L31-L46 HydrophobicContact CD2-CD2 3.66Å; L31-L46 HydrophobicContact CD2-CG 4.18Å
32	T	90.8	Very high	89.8	Confident	26 Å²	26	65.3 Å²	65.3	16%	0.16	34%	0.338	C	S	.	.	H	α-helix	trans	-63.7	-43.5	173.8	58.6	0	0	0	0	112.6	Q28 K29 D30 G36 M37 A39 V42	Q28-T32 WeakPolarHBondContact O-CG2 3.37Å; Q28-T32 PolarHBondContact O-N 3.41Å; K29-T32 PolarHBondContact O-N 3.19Å; K29-T32 VanDerWaalsContact O-N 3.15Å; K29-T32 PolarHBondContact O-OG1 3.16Å; D30-T32 VanDerWaalsContact C-N 3.29Å; D30-T32 PolarHBondContact O-N 2.98Å; T32-G36 PolarHBondContact O-N 3.21Å; T32-G36 VanDerWaalsContact O-N 3.15Å; T32-M37 WeakPolarHBondContact CB-O 3.43Å; T32-M37 PolarHBondContact O-N 2.95Å; T32-M37 VanDerWaalsContact O-N 3.08Å; T32-A39 HydrophobicContact CG2-CB 4.13Å; T32-V42 HydrophobicContact CG2-CB 3.74Å; T32-V42 HydrophobicContact CG2-CG1 4.13Å; T32-V42 HydrophobicContact CG2-CG2 3.58Å
33	F	89.8	Confident	90.2	Very high	107 Å²	107	59.6 Å²	59.6	47%	0.469	31%	0.314	S	S	.	.	H	α-helix	trans	-62.5	-53	178.3	179.1	-99.2	0	0	0	110.7	K29 D30 L35 G36	K29-F33 PolarHBondContact O-N 2.93Å; K29-F33 VanDerWaalsContact O-N 3.1Å; D30-F33 WeakPolarHBondContact O-CB 3.24Å; D30-F33 PolarHBondContact O-N 2.78Å; D30-F33 VanDerWaalsContact O-N 3.13Å; F33-L35 PolarHBondContact O-N 2.92Å; F33-G36 PolarHBondContact O-N 2.84Å; F33-G36 VanDerWaalsContact O-N 3.13Å
34	V	88	Confident	90.5	Very high	31 Å²	31	61.2 Å²	61.2	19%	0.188	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-42.2	-177.2	173.4	0	0	0	0	112.8	L19 I26 D30 G36 F156	L19-V34 HydrophobicContact CD1-CB 4Å; L19-V34 HydrophobicContact CD1-CG1 3.29Å; I26-V34 HydrophobicContact CD1-CG2 4.43Å; D30-V34 VanDerWaalsContact O-CG2 3.25Å; D30-V34 WeakPolarHBondContact O-CG2 3.5Å; D30-V34 PolarHBondContact O-N 3.42Å; V34-G36 PolarHBondContact O-N 3.08Å; V34-F156 HydrophobicContact CB-CE1 4.35Å; V34-F156 HydrophobicContact CB-CE2 4.18Å; V34-F156 HydrophobicContact CB-CZ 3.77Å; V34-F156 HydrophobicContact CG1-CE1 3.52Å; V34-F156 HydrophobicContact CG1-CE2 4.05Å; V34-F156 HydrophobicContact CG1-CZ 3.16Å; V34-F156 HydrophobicContact CG2-CD2 4.01Å; V34-F156 HydrophobicContact CG2-CE1 4.09Å; V34-F156 HydrophobicContact CG2-CE2 3.11Å; V34-F156 HydrophobicContact CG2-CZ 3.2Å
35	L	87.7	Confident	90.9	Very high	11 Å²	11	58.3 Å²	58.3	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-78.3	-11	-178.3	-64.6	178.3	0	0	0	112.7	R15 V16 L19 L31 F33 M37 V42	R15-L35 HydrophobicContact CB-CD2 4.02Å; V16-L35 HydrophobicContact CG2-CD1 3.64Å; L19-L35 HydrophobicContact CD1-CD2 4.41Å; L31-L35 HydrophobicContact CD1-CD1 3.76Å; L31-L35 HydrophobicContact CD1-CG 4.06Å; L31-L35 HydrophobicContact CD2-CD1 4.48Å; L31-L35 HydrophobicContact CG-CD1 3.76Å; L31-L35 HydrophobicContact CG-CG 4.34Å; L31-L35 VanDerWaalsContact O-CB 3.29Å; L31-L35 WeakPolarHBondContact O-CB 3.29Å; L31-L35 VanDerWaalsContact O-CG 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.12Å; L31-L35 PolarHBondContact O-N 2.97Å; F33-L35 PolarHBondContact O-N 2.92Å; L35-M37 HydrophobicContact CB-CB 4.17Å; L35-M37 HydrophobicContact CB-CE 4.23Å; L35-M37 HydrophobicContact CB-CG 3.86Å; L35-M37 HydrophobicContact CB-SD 4.11Å; L35-M37 HydrophobicContact CD1-SD 4.31Å; L35-M37 PolarHBondContact O-N 2.92Å; L35-V42 HydrophobicContact CD1-CG2 4.45Å
36	G	87.5	Confident	91.3	Very high	36 Å²	36	53.6 Å²	53.6	37%	0.371	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	33	-171.2	0	0	0	0	0	112	T32 F33 V34	T32-G36 PolarHBondContact O-N 3.21Å; T32-G36 VanDerWaalsContact O-N 3.15Å; F33-G36 PolarHBondContact O-N 2.84Å; F33-G36 VanDerWaalsContact O-N 3.13Å; V34-G36 PolarHBondContact O-N 3.08Å
37	M	88.5	Confident	91.4	Very high	48 Å²	48	57.2 Å²	57.2	24%	0.236	29%	0.294	C	S	.	.			trans	-116.3	148.6	-172.6	-69.5	-173	-165.3	0	0	111.5	T32 L35 V42 L45	T32-M37 WeakPolarHBondContact CB-O 3.43Å; T32-M37 PolarHBondContact O-N 2.95Å; T32-M37 VanDerWaalsContact O-N 3.08Å; L35-M37 HydrophobicContact CB-CB 4.17Å; L35-M37 HydrophobicContact CB-CE 4.23Å; L35-M37 HydrophobicContact CB-CG 3.86Å; L35-M37 HydrophobicContact CB-SD 4.11Å; L35-M37 HydrophobicContact CD1-SD 4.31Å; L35-M37 PolarHBondContact O-N 2.92Å; M37-V42 HydrophobicContact CB-CG2 3.66Å; M37-L45 HydrophobicContact CE-CD1 4.35Å; M37-L45 HydrophobicContact SD-CD1 3.62Å
38	R	89.9	Confident	91.4	Very high	197 Å²	197	61.6 Å²	61.6	74%	0.743	31%	0.312	S	S	*	.			trans	-63.5	146.8	174.3	-64.2	-174	174.5	96.4	3	111	Q40 S41 V42	R38-Q40 VanDerWaalsContact C-N 3.25Å; R38-Q40 PolarHBondContact O-N 2.59Å; R38-S41 WeakPolarHBondContact O-CB 3.43Å; R38-S41 PolarHBondContact O-N 3.13Å; R38-V42 PolarHBondContact O-N 2.98Å
39	A	91.7	Very high	91.4	Very high	62 Å²	62	59.1 Å²	59.1	51%	0.512	30%	0.3	S	S	.	.	H	α-helix	trans	-52.8	-40.3	178.8	0	0	0	0	0	113.8	T32 G43	T32-A39 HydrophobicContact CG2-CB 4.13Å; A39-G43 PolarHBondContact O-N 3.13Å
40	Q	92.3	Very high	91.6	Very high	146 Å²	146	55 Å²	55	68%	0.682	28%	0.284	S	S	*	.	H	α-helix	trans	-63.3	-46	175.5	-175.8	-177.6	-23.4	0	0	111.8	R38 V42 G43 E44	R38-Q40 VanDerWaalsContact C-N 3.25Å; R38-Q40 PolarHBondContact O-N 2.59Å; Q40-V42 VanDerWaalsContact C-N 3.35Å; Q40-V42 PolarHBondContact O-N 2.88Å; Q40-G43 WeakPolarHBondContact O-CA 3.41Å; Q40-G43 PolarHBondContact O-N 3.29Å; Q40-G43 VanDerWaalsContact O-N 3.15Å; Q40-E44 PolarHBondContact NE2-OE1 2.86Å; Q40-E44 WeakPolarHBondContact O-CG 3.45Å; Q40-E44 PolarHBondContact O-N 2.89Å
41	S	91.9	Very high	91.8	Very high	49 Å²	49	57.5 Å²	57.5	34%	0.343	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-40.8	179.8	-52.9	0	0	0	0	111.8	R38 E44 L45	R38-S41 WeakPolarHBondContact O-CB 3.43Å; R38-S41 PolarHBondContact O-N 3.13Å; S41-E44 PolarHBondContact O-N 3.05Å; S41-L45 WeakPolarHBondContact O-CG 3.46Å; S41-L45 PolarHBondContact O-N 2.97Å
42	V	92.5	Very high	91.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-43.6	172.5	174.1	0	0	0	0	110.7	Q28 L31 T32 L35 M37 R38 Q40 E44 L45 L46	Q28-V42 HydrophobicContact CG-CG1 4.14Å; L31-V42 HydrophobicContact CB-CG1 4.36Å; L31-V42 HydrophobicContact CD2-CG1 3.7Å; L31-V42 HydrophobicContact CG-CG1 4.05Å; T32-V42 HydrophobicContact CG2-CB 3.74Å; T32-V42 HydrophobicContact CG2-CG1 4.13Å; T32-V42 HydrophobicContact CG2-CG2 3.58Å; L35-V42 HydrophobicContact CD1-CG2 4.45Å; M37-V42 HydrophobicContact CB-CG2 3.66Å; R38-V42 PolarHBondContact O-N 2.98Å; Q40-V42 VanDerWaalsContact C-N 3.35Å; Q40-V42 PolarHBondContact O-N 2.88Å; V42-E44 VanDerWaalsContact C-N 3.31Å; V42-E44 PolarHBondContact O-N 3.37Å; V42-L45 PolarHBondContact O-N 2.78Å; V42-L45 VanDerWaalsContact O-N 3.13Å; V42-L46 HydrophobicContact CG1-CD1 3.83Å; V42-L46 HydrophobicContact CG1-CG 4.02Å; V42-L46 WeakPolarHBondContact O-CB 3.3Å; V42-L46 VanDerWaalsContact O-CG 3.28Å; V42-L46 WeakPolarHBondContact O-CG 3.39Å; V42-L46 PolarHBondContact O-N 2.98Å
43	G	93.3	Very high	92.2	Very high	18 Å²	18	64.6 Å²	64.6	19%	0.186	33%	0.327	C	S	.	.	H	α-helix	trans	-55.5	-43.9	175.3	0	0	0	0	0	113	A39 Q40 L46 Q47	A39-G43 PolarHBondContact O-N 3.13Å; Q40-G43 WeakPolarHBondContact O-CA 3.41Å; Q40-G43 PolarHBondContact O-N 3.29Å; Q40-G43 VanDerWaalsContact O-N 3.15Å; G43-L46 PolarHBondContact O-N 2.82Å; G43-Q47 WeakPolarHBondContact O-CB 3.34Å; G43-Q47 PolarHBondContact O-N 3.4Å
44	E	93	Very high	92.4	Very high	96 Å²	96	59.8 Å²	59.8	45%	0.449	31%	0.306	S	S	.	.	H	α-helix	trans	-66.3	-38	175.7	-71.6	175.2	-160	0	0	112.9	Q40 S41 V42 K48	Q40-E44 PolarHBondContact NE2-OE1 2.86Å; Q40-E44 WeakPolarHBondContact O-CG 3.45Å; Q40-E44 PolarHBondContact O-N 2.89Å; S41-E44 PolarHBondContact O-N 3.05Å; V42-E44 VanDerWaalsContact C-N 3.31Å; V42-E44 PolarHBondContact O-N 3.37Å; E44-K48 WeakPolarHBondContact O-CG 3.28Å; E44-K48 PolarHBondContact O-N 2.88Å
45	L	92	Very high	92.8	Very high	26 Å²	26	58.5 Å²	58.5	14%	0.136	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-46.6	175.3	-74.7	174.3	0	0	0	111.3	Q13 M37 S41 V42 Q47 K48 L49	Q13-L45 HydrophobicContact CG-CD2 3.84Å; M37-L45 HydrophobicContact CE-CD1 4.35Å; M37-L45 HydrophobicContact SD-CD1 3.62Å; S41-L45 WeakPolarHBondContact O-CG 3.46Å; S41-L45 PolarHBondContact O-N 2.97Å; V42-L45 PolarHBondContact O-N 2.78Å; V42-L45 VanDerWaalsContact O-N 3.13Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; L45-Q47 PolarHBondContact O-N 3.49Å; L45-K48 PolarHBondContact O-N 3.44Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 3.01Å; L45-L49 VanDerWaalsContact O-N 3.09Å
46	L	94.7	Very high	93.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-42.7	176.7	-69	179.6	0	0	0	111.1	V16 Q28 L31 V42 G43 K48 L49 E50 I55 I69	V16-L46 HydrophobicContact CG1-CD2 4.16Å; Q28-L46 HydrophobicContact CG-CD1 3.89Å; L31-L46 HydrophobicContact CD2-CD1 4.22Å; L31-L46 HydrophobicContact CD2-CD2 3.66Å; L31-L46 HydrophobicContact CD2-CG 4.18Å; V42-L46 HydrophobicContact CG1-CD1 3.83Å; V42-L46 HydrophobicContact CG1-CG 4.02Å; V42-L46 WeakPolarHBondContact O-CB 3.3Å; V42-L46 VanDerWaalsContact O-CG 3.28Å; V42-L46 WeakPolarHBondContact O-CG 3.39Å; V42-L46 PolarHBondContact O-N 2.98Å; G43-L46 PolarHBondContact O-N 2.82Å; L46-K48 VanDerWaalsContact C-N 3.33Å; L46-K48 PolarHBondContact O-N 2.58Å; L46-L49 PolarHBondContact O-N 2.74Å; L46-L49 VanDerWaalsContact O-N 3.1Å; L46-E50 WeakPolarHBondContact O-CB 3.32Å; L46-E50 PolarHBondContact O-N 2.94Å; L46-I55 HydrophobicContact CB-CD1 4Å; L46-I55 HydrophobicContact CD2-CD1 3.5Å; L46-I55 VanDerWaalsContact CD2-CD1 3.5Å; L46-I55 HydrophobicContact CG-CD1 4.35Å; L46-I55 WeakPolarHBondContact O-CD1 3.12Å; L46-I69 HydrophobicContact CD1-CD1 4.06Å; L46-I69 HydrophobicContact CD1-CG1 3.9Å; L46-I69 HydrophobicContact CD2-CG1 4.07Å; L46-I69 HydrophobicContact CD2-CG2 4.04Å
47	Q	94.5	Very high	93.6	Very high	81 Å²	81	60.8 Å²	60.8	38%	0.379	30%	0.3	S	S	.	.	H	α-helix	trans	-56.3	-48.8	175.5	-168.1	61.4	53.6	0	0	111.7	G43 L45 L49 E50 D51 R57	G43-Q47 WeakPolarHBondContact O-CB 3.34Å; G43-Q47 PolarHBondContact O-N 3.4Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; L45-Q47 PolarHBondContact O-N 3.49Å; Q47-L49 VanDerWaalsContact C-N 3.25Å; Q47-L49 PolarHBondContact O-N 3.25Å; Q47-E50 PolarHBondContact NE2-OE2 2.94Å; Q47-E50 PolarHBondContact O-N 3.48Å; Q47-D51 PolarHBondContact NE2-OD1 3.41Å; Q47-D51 WeakPolarHBondContact O-CB 3.31Å; Q47-D51 PolarHBondContact O-N 3.25Å; Q47-R57 VanDerWaalsContact CA-NH2 3.27Å; Q47-R57 VanDerWaalsContact CD-NH2 3.34Å
48	K	93.4	Very high	93.9	Very high	102 Å²	102	63.2 Å²	63.2	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-66.6	-25	179.5	-67.6	169.2	-177.2	167.9	0	113.8	E44 L45 L46 K52	E44-K48 WeakPolarHBondContact O-CG 3.28Å; E44-K48 PolarHBondContact O-N 2.88Å; L45-K48 PolarHBondContact O-N 3.44Å; L46-K48 VanDerWaalsContact C-N 3.33Å; L46-K48 PolarHBondContact O-N 2.58Å; K48-K52 WeakPolarHBondContact O-CD 3.38Å; K48-K52 WeakPolarHBondContact O-CG 3.4Å
49	L	94.3	Very high	94.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-79.5	-38.4	175.1	-72.7	173.5	0	0	0	111.1	Y7 Q13 V16 L17 L45 L46 Q47 K52 E53 L54 I55	Y7-L49 HydrophobicContact CE1-CD2 4.31Å; Q13-L49 HydrophobicContact CB-CD2 3.97Å; Q13-L49 HydrophobicContact CB-CG 4.48Å; Q13-L49 HydrophobicContact CG-CD2 4.15Å; Q13-L49 HydrophobicContact CG-CG 4.28Å; V16-L49 HydrophobicContact CB-CD1 3.76Å; V16-L49 HydrophobicContact CG1-CD1 3.47Å; V16-L49 VanDerWaalsContact CG1-CD1 3.47Å; V16-L49 HydrophobicContact CG2-CD1 4.4Å; L17-L49 HydrophobicContact CD1-CD2 4.1Å; L17-L49 HydrophobicContact CD2-CD2 4.14Å; L17-L49 HydrophobicContact CG-CD2 4.06Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 3.01Å; L45-L49 VanDerWaalsContact O-N 3.09Å; L46-L49 PolarHBondContact O-N 2.74Å; L46-L49 VanDerWaalsContact O-N 3.1Å; Q47-L49 VanDerWaalsContact C-N 3.25Å; Q47-L49 PolarHBondContact O-N 3.25Å; L49-K52 CarbonylContact O-C 3.18Å; L49-K52 PolarHBondContact O-N 3Å; L49-E53 PolarHBondContact O-N 3.17Å; L49-L54 HydrophobicContact CD2-CB 4.43Å; L49-L54 HydrophobicContact CD2-CD1 3.82Å; L49-L54 PolarHBondContact O-N 3.44Å; L49-I55 HydrophobicContact CB-CD1 3.81Å; L49-I55 HydrophobicContact CB-CG1 3.79Å; L49-I55 HydrophobicContact CB-CG2 4.15Å; L49-I55 HydrophobicContact CD1-CG2 4.39Å
50	E	95.7	Very high	94.1	Very high	63 Å²	63	54.6 Å²	54.6	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-41.7	175.2	-173.1	177.6	-100.4	0	0	111.6	L46 Q47 K52 E53 I55 R57	L46-E50 WeakPolarHBondContact O-CB 3.32Å; L46-E50 PolarHBondContact O-N 2.94Å; Q47-E50 PolarHBondContact NE2-OE2 2.94Å; Q47-E50 PolarHBondContact O-N 3.48Å; E50-K52 PolarHBondContact O-N 3.09Å; E50-K52 VanDerWaalsContact O-N 3.09Å; E50-E53 WeakPolarHBondContact O-CA 3.33Å; E50-E53 PolarHBondContact O-N 2.85Å; E50-I55 HydrophobicContact CB-CD1 4.44Å; E50-I55 HydrophobicContact CB-CG1 4.02Å; E50-R57 VanDerWaalsContact CD-NH2 3.35Å; E50-R57 IonicContact OE1-CZ 3.8Å; E50-R57 IonicContact OE1-NE 3.76Å; E50-R57 PolarHBondContact OE1-NE 3.25Å; E50-R57 IonicContact OE1-NH2 2.94Å; E50-R57 IonicContact OE2-CZ 2.96Å; E50-R57 IonicContact OE2-NE 3.66Å; E50-R57 PolarHBondContact OE2-NE 3.34Å; E50-R57 IonicContact OE2-NH2 3.74Å; E50-R57 PolarHBondContact OE2-NH2 3.4Å
51	D	95.2	Very high	94	Very high	109 Å²	109	57 Å²	57	58%	0.583	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.3	174.3	-66.1	-14.1	0	0	0	112.3	Q47	Q47-D51 PolarHBondContact NE2-OD1 3.41Å; Q47-D51 WeakPolarHBondContact O-CB 3.31Å; Q47-D51 PolarHBondContact O-N 3.25Å
52	K	94	Very high	93.9	Very high	49 Å²	49	63.8 Å²	63.8	21%	0.213	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	3.5	176.3	-63.5	-179.2	-170	178.4	0	112.8	Y7 K48 L49 E50 L54 K74	Y7-K52 WeakPolarHBondContact OH-CD 3.45Å; Y7-K52 WeakPolarHBondContact OH-CE 3.42Å; Y7-K52 PolarHBondContact OH-NZ 2.99Å; K48-K52 WeakPolarHBondContact O-CD 3.38Å; K48-K52 WeakPolarHBondContact O-CG 3.4Å; L49-K52 CarbonylContact O-C 3.18Å; L49-K52 PolarHBondContact O-N 3Å; E50-K52 PolarHBondContact O-N 3.09Å; E50-K52 VanDerWaalsContact O-N 3.09Å; K52-L54 VanDerWaalsContact C-N 3.26Å; K52-L54 HydrophobicContact CB-CD1 4.08Å; K52-L54 HydrophobicContact CB-CG 3.95Å; K52-L54 HydrophobicContact CD-CD1 4.41Å; K52-L54 PolarHBondContact O-N 3.32Å; K52-K74 WeakPolarHBondContact O-CE 3.25Å; K52-K74 PolarHBondContact O-NZ 3.28Å
53	E	95.5	Very high	93.8	Very high	125 Å²	125	66.2 Å²	66.2	58%	0.584	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	32.2	-179.3	-48.3	165.3	114.7	0	0	113	L49 E50 T72 K74	L49-E53 PolarHBondContact O-N 3.17Å; E50-E53 WeakPolarHBondContact O-CA 3.33Å; E50-E53 PolarHBondContact O-N 2.85Å; E53-T72 WeakPolarHBondContact O-CB 3.46Å; E53-T72 WeakPolarHBondContact O-CG2 3.39Å; E53-T72 PolarHBondContact O-OG1 3.31Å; E53-K74 HydrophobicContact CB-CD 4.15Å; E53-K74 IonicContact OE2-NZ 2.87Å; E53-K74 PolarHBondContact OE2-NZ 3.26Å
54	L	95	Very high	93.6	Very high	6 Å²	6	75.5 Å²	75.5	3%	0.031	36%	0.361	C	S	.	.	S	Bend	trans	-92.4	-19	179.7	-58.7	177.2	0	0	0	112.4	Y7 L17 L49 K52 T72 K74 G75 E78	Y7-L54 HydrophobicContact CE1-CD1 4.14Å; L17-L54 HydrophobicContact CD1-CD1 4.19Å; L17-L54 HydrophobicContact CD2-CB 4.16Å; L49-L54 HydrophobicContact CD2-CB 4.43Å; L49-L54 HydrophobicContact CD2-CD1 3.82Å; L49-L54 PolarHBondContact O-N 3.44Å; K52-L54 VanDerWaalsContact C-N 3.26Å; K52-L54 HydrophobicContact CB-CD1 4.08Å; K52-L54 HydrophobicContact CB-CG 3.95Å; K52-L54 HydrophobicContact CD-CD1 4.41Å; K52-L54 PolarHBondContact O-N 3.32Å; L54-T72 VanDerWaalsContact C-OG1 3.31Å; L54-T72 WeakPolarHBondContact CA-OG1 3.41Å; L54-T72 PolarHBondContact O-N 3.03Å; L54-T72 VanDerWaalsContact O-N 3.13Å; L54-T72 PolarHBondContact O-OG1 3.39Å; L54-K74 HydrophobicContact CD2-CB 4.49Å; L54-K74 HydrophobicContact CD2-CD 4.16Å; L54-K74 HydrophobicContact CD2-CG 3.91Å; L54-G75 WeakPolarHBondContact O-CA 3.35Å; L54-E78 HydrophobicContact CD2-CB 4.04Å; L54-E78 HydrophobicContact CD2-CG 4.45Å
55	I	96.3	Very high	93.5	Very high	4 Å²	4	81.1 Å²	81.1	2%	0.021	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	160.9	178.9	65.4	168.2	0	0	0	110.6	L17 L20 L46 L49 E50 R57 I69 R70 L71	L17-I55 HydrophobicContact CD2-CG2 4.46Å; L20-I55 HydrophobicContact CD1-CG2 3.69Å; L46-I55 HydrophobicContact CB-CD1 4Å; L46-I55 HydrophobicContact CD2-CD1 3.5Å; L46-I55 VanDerWaalsContact CD2-CD1 3.5Å; L46-I55 HydrophobicContact CG-CD1 4.35Å; L46-I55 WeakPolarHBondContact O-CD1 3.12Å; L49-I55 HydrophobicContact CB-CD1 3.81Å; L49-I55 HydrophobicContact CB-CG1 3.79Å; L49-I55 HydrophobicContact CB-CG2 4.15Å; L49-I55 HydrophobicContact CD1-CG2 4.39Å; E50-I55 HydrophobicContact CB-CD1 4.44Å; E50-I55 HydrophobicContact CB-CG1 4.02Å; I55-R57 HydrophobicContact CD1-CG 4.33Å; I55-I69 HydrophobicContact CB-CG2 4.12Å; I55-I69 HydrophobicContact CD1-CG2 3.92Å; I55-I69 HydrophobicContact CG2-CG2 4.29Å; I55-R70 CarbonylContact C-O 3.57Å; I55-R70 WeakPolarHBondContact CA-O 3.49Å; I55-R70 VanDerWaalsContact CB-O 3.3Å; I55-R70 WeakPolarHBondContact CB-O 3.33Å; I55-L71 HydrophobicContact CG2-CD2 4.27Å
56	T	96.6	Very high	93.5	Very high	48 Å²	48	82.3 Å²	82.3	29%	0.294	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	154.6	162.2	61.4	0	0	0	0	110.3	I69 R70 T72	T56-I69 WeakPolarHBondContact O-CA 3.33Å; T56-R70 PolarHBondContact N-O 3.37Å; T56-R70 PolarHBondContact O-N 3.23Å; T56-R70 VanDerWaalsContact O-N 3.13Å; T56-T72 HydrophobicContact CG2-CG2 3.73Å
57	R	95.2	Very high	93.4	Very high	47 Å²	47	85.4 Å²	85.4	18%	0.177	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.9	174.5	-66.4	-171.3	-85.1	-174	-4.2	109.7	Q47 E50 I55 M67 I68 I69	Q47-R57 VanDerWaalsContact CA-NH2 3.27Å; Q47-R57 VanDerWaalsContact CD-NH2 3.34Å; E50-R57 VanDerWaalsContact CD-NH2 3.35Å; E50-R57 IonicContact OE1-CZ 3.8Å; E50-R57 IonicContact OE1-NE 3.76Å; E50-R57 PolarHBondContact OE1-NE 3.25Å; E50-R57 IonicContact OE1-NH2 2.94Å; E50-R57 IonicContact OE2-CZ 2.96Å; E50-R57 IonicContact OE2-NE 3.66Å; E50-R57 PolarHBondContact OE2-NE 3.34Å; E50-R57 IonicContact OE2-NH2 3.74Å; E50-R57 PolarHBondContact OE2-NH2 3.4Å; I55-R57 HydrophobicContact CD1-CG 4.33Å; R57-M67 HydrophobicContact CB-CE 3.88Å; R57-I68 WeakPolarHBondContact CA-O 3.5Å; R57-I69 HydrophobicContact CG-CG1 4.11Å
58	E	94.3	Very high	93.4	Very high	100 Å²	100	82.7 Å²	82.7	47%	0.467	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144	-177.1	-67.4	176.5	172.9	0	0	110.4	S60 I68 R70	E58-S60 PolarHBondContact O-N 3.09Å; E58-I68 PolarHBondContact N-O 3.35Å; E58-I68 PolarHBondContact O-N 2.88Å; E58-R70 IonicContact OE2-NH1 3.85Å; E58-R70 PolarHBondContact OE2-NH1 2.88Å
59	A	93.8	Very high	93.5	Very high	53 Å²	53	77.8 Å²	77.8	44%	0.438	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.5	171	0	0	0	0	0	109.1	R64 M67	A59-R64 HydrophobicContact CB-CB 4.46Å; A59-M67 HydrophobicContact CB-SD 4.29Å
60	S	92.4	Very high	93.6	Very high	25 Å²	25	81 Å²	81	18%	0.175	38%	0.38	C	S	.	.			trans	-60.7	141.5	176.2	174.9	0	0	0	0	111.1	E58 Q62 D63 R64 V66	E58-S60 PolarHBondContact O-N 3.09Å; S60-Q62 VanDerWaalsContact C-N 3.26Å; S60-Q62 PolarHBondContact O-N 2.88Å; S60-Q62 PolarHBondContact OG-N 3.02Å; S60-D63 WeakPolarHBondContact CB-O 3.21Å; S60-D63 CarbonylContact O-C 3.58Å; S60-R64 PolarHBondContact O-N 2.72Å; S60-V66 PolarHBondContact N-O 2.93Å
61	E	90.4	Very high	93.6	Very high	196 Å²	196	79.9 Å²	79.9	92%	0.916	38%	0.376	S	S	*	.	S	Bend	trans	-65.2	-31.5	174.5	-62.4	-173.5	167.2	0	0	112.2
62	Q	90	Very high	93.6	Very high	192 Å²	192	76.3 Å²	76.3	90%	0.897	36%	0.357	S	S	*	.	S	Bend	trans	-81.5	-38.5	-177.6	-61.9	178.4	17.9	0	0	112.3	S60	S60-Q62 VanDerWaalsContact C-N 3.26Å; S60-Q62 PolarHBondContact O-N 2.88Å; S60-Q62 PolarHBondContact OG-N 3.02Å
63	D	90.6	Very high	93.6	Very high	50 Å²	50	80.2 Å²	80.2	27%	0.267	38%	0.377	S	S	.	.			trans	-143.7	104.5	175.6	-173.8	-11.9	0	0	0	109.8	S60 R65 V66	S60-D63 WeakPolarHBondContact CB-O 3.21Å; S60-D63 CarbonylContact O-C 3.58Å; D63-R65 PolarHBondContact O-N 3.28Å; D63-R65 VanDerWaalsContact OD1-CB 3.24Å; D63-R65 WeakPolarHBondContact OD1-CB 3.48Å; D63-R65 WeakPolarHBondContact OD1-CG 3.45Å; D63-R65 IonicContact OD1-CZ 3.04Å; D63-R65 PolarHBondContact OD1-N 2.87Å; D63-R65 IonicContact OD1-NE 3.68Å; D63-R65 PolarHBondContact OD1-NE 2.88Å; D63-R65 IonicContact OD1-NH2 3.38Å; D63-R65 IonicContact OD2-CZ 3.23Å; D63-R65 IonicContact OD2-NE 3.86Å; D63-R65 PolarHBondContact OD2-NE 3.43Å; D63-R65 IonicContact OD2-NH2 2.87Å; D63-R65 PolarHBondContact OD2-NH2 3.32Å; D63-V66 HydrophobicContact CB-CG2 4Å; D63-V66 WeakPolarHBondContact O-CB 3.43Å; D63-V66 PolarHBondContact O-N 3.11Å
64	R	89.7	Confident	93.6	Very high	214 Å²	214	78.8 Å²	78.8	81%	0.808	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-10	-178.7	-67.7	-175	175.5	-172.2	-1.6	114.4	A59 S60 V66	A59-R64 HydrophobicContact CB-CB 4.46Å; S60-R64 PolarHBondContact O-N 2.72Å; R64-V66 VanDerWaalsContact C-N 3.31Å
65	R	89.6	Confident	93.5	Very high	214 Å²	214	78.5 Å²	78.5	81%	0.808	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.4	173.7	-57.2	173.5	-64.4	174.4	4.7	112.3	D63	D63-R65 PolarHBondContact O-N 3.28Å; D63-R65 VanDerWaalsContact OD1-CB 3.24Å; D63-R65 WeakPolarHBondContact OD1-CB 3.48Å; D63-R65 WeakPolarHBondContact OD1-CG 3.45Å; D63-R65 IonicContact OD1-CZ 3.04Å; D63-R65 PolarHBondContact OD1-N 2.87Å; D63-R65 IonicContact OD1-NE 3.68Å; D63-R65 PolarHBondContact OD1-NE 2.88Å; D63-R65 IonicContact OD1-NH2 3.38Å; D63-R65 IonicContact OD2-CZ 3.23Å; D63-R65 IonicContact OD2-NE 3.86Å; D63-R65 PolarHBondContact OD2-NE 3.43Å; D63-R65 IonicContact OD2-NH2 2.87Å; D63-R65 PolarHBondContact OD2-NH2 3.32Å
66	V	91.6	Very high	93.3	Very high	50 Å²	50	84.7 Å²	84.7	30%	0.303	39%	0.39	S	S	.	.	S	Bend	trans	-95.2	121.6	179.3	-178.2	0	0	0	0	108.8	S60 D63 R64 I68	S60-V66 PolarHBondContact N-O 2.93Å; D63-V66 HydrophobicContact CB-CG2 4Å; D63-V66 WeakPolarHBondContact O-CB 3.43Å; D63-V66 PolarHBondContact O-N 3.11Å; R64-V66 VanDerWaalsContact C-N 3.31Å; V66-I68 HydrophobicContact CG1-CD1 3.85Å
67	M	93.2	Very high	93.1	Very high	66 Å²	66	87.2 Å²	87.2	33%	0.325	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121	171.7	-66.3	-56.8	-59.2	0	0	109.7	S27 Q28 R57 A59	S27-M67 CarbonylContact C-O 3.48Å; S27-M67 VanDerWaalsContact CA-O 3.31Å; S27-M67 WeakPolarHBondContact CA-O 3.45Å; Q28-M67 HydrophobicContact CB-CB 4.48Å; Q28-M67 PolarHBondContact N-O 3.5Å; R57-M67 HydrophobicContact CB-CE 3.88Å; A59-M67 HydrophobicContact CB-SD 4.29Å
68	I	95.4	Very high	92.8	Very high	23 Å²	23	87.1 Å²	87.1	12%	0.118	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.7	175.1	-55	-58.9	0	0	0	108.8	E25 R57 E58 V66 R70	E25-I68 HydrophobicContact CB-CG2 4.12Å; R57-I68 WeakPolarHBondContact CA-O 3.5Å; E58-I68 PolarHBondContact N-O 3.35Å; E58-I68 PolarHBondContact O-N 2.88Å; V66-I68 HydrophobicContact CG1-CD1 3.85Å; I68-R70 HydrophobicContact CG2-CG 4.31Å
69	I	95.5	Very high	92.6	Very high	0 Å²	0	82.3 Å²	82.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.5	177	-57.7	93.1	0	0	0	108.9	L20 I26 Q28 L46 I55 T56 R57	L20-I69 HydrophobicContact CD1-CG2 3.78Å; L20-I69 HydrophobicContact CD2-CB 4.27Å; L20-I69 HydrophobicContact CD2-CG2 3.94Å; I26-I69 HydrophobicContact CG2-CB 4.39Å; I26-I69 PolarHBondContact N-O 2.92Å; I26-I69 WeakPolarHBondContact O-CD1 3.36Å; I26-I69 PolarHBondContact O-N 3Å; Q28-I69 VanDerWaalsContact CA-CD1 3.47Å; Q28-I69 HydrophobicContact CB-CD1 3.8Å; L46-I69 HydrophobicContact CD1-CD1 4.06Å; L46-I69 HydrophobicContact CD1-CG1 3.9Å; L46-I69 HydrophobicContact CD2-CG1 4.07Å; L46-I69 HydrophobicContact CD2-CG2 4.04Å; I55-I69 HydrophobicContact CB-CG2 4.12Å; I55-I69 HydrophobicContact CD1-CG2 3.92Å; I55-I69 HydrophobicContact CG2-CG2 4.29Å; T56-I69 WeakPolarHBondContact O-CA 3.33Å; R57-I69 HydrophobicContact CG-CG1 4.11Å
70	R	95.9	Very high	92.3	Very high	68 Å²	68	83.1 Å²	83.1	26%	0.257	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.7	175.9	-59.9	-177.6	174.3	99.7	4.4	110.4	E25 I55 T56 E58 I68	E25-R70 HydrophobicContact CG-CG 4.17Å; E25-R70 IonicContact OE1-CZ 3.03Å; E25-R70 VanDerWaalsContact OE1-CZ 3.23Å; E25-R70 IonicContact OE1-NE 2.67Å; E25-R70 PolarHBondContact OE1-NE 3.3Å; E25-R70 IonicContact OE1-NH2 3.68Å; E25-R70 PolarHBondContact OE1-NH2 2.88Å; E25-R70 IonicContact OE2-CZ 3.5Å; E25-R70 IonicContact OE2-NE 3.48Å; E25-R70 IonicContact OE2-NH2 2.78Å; E25-R70 PolarHBondContact OE2-NH2 3.04Å; I55-R70 CarbonylContact C-O 3.57Å; I55-R70 WeakPolarHBondContact CA-O 3.49Å; I55-R70 VanDerWaalsContact CB-O 3.3Å; I55-R70 WeakPolarHBondContact CB-O 3.33Å; T56-R70 PolarHBondContact N-O 3.37Å; T56-R70 PolarHBondContact O-N 3.23Å; T56-R70 VanDerWaalsContact O-N 3.13Å; E58-R70 IonicContact OE2-NH1 3.85Å; E58-R70 PolarHBondContact OE2-NH1 2.88Å; I68-R70 HydrophobicContact CG2-CG 4.31Å
71	L	95.1	Very high	91.9	Very high	39 Å²	39	87.6 Å²	87.6	20%	0.204	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	143.2	167.2	-69.3	169	0	0	0	109.9	L17 L20 K21 I55 A79	L17-L71 HydrophobicContact CD2-CD2 3.5Å; L20-L71 HydrophobicContact CB-CD1 3.91Å; L20-L71 HydrophobicContact CB-CD2 3.92Å; L20-L71 HydrophobicContact CB-CG 3.64Å; L20-L71 HydrophobicContact CD1-CD2 3.94Å; L20-L71 HydrophobicContact CD1-CG 4.27Å; K21-L71 HydrophobicContact CB-CD1 4.34Å; I55-L71 HydrophobicContact CG2-CD2 4.27Å; L71-A79 HydrophobicContact CD1-CB 4.29Å
72	T	95.6	Very high	91.3	Very high	33 Å²	33	78.8 Å²	78.8	20%	0.202	35%	0.348	C	S	.	.			trans	-79.3	172.6	158.9	61.7	0	0	0	0	109.5	E53 L54 T56 K74 G75 R76	E53-T72 WeakPolarHBondContact O-CB 3.46Å; E53-T72 WeakPolarHBondContact O-CG2 3.39Å; E53-T72 PolarHBondContact O-OG1 3.31Å; L54-T72 VanDerWaalsContact C-OG1 3.31Å; L54-T72 WeakPolarHBondContact CA-OG1 3.41Å; L54-T72 PolarHBondContact O-N 3.03Å; L54-T72 VanDerWaalsContact O-N 3.13Å; L54-T72 PolarHBondContact O-OG1 3.39Å; T56-T72 HydrophobicContact CG2-CG2 3.73Å; T72-K74 VanDerWaalsContact C-N 3.32Å; T72-K74 PolarHBondContact O-N 3.2Å; T72-G75 CarbonylContact O-C 3.56Å; T72-G75 WeakPolarHBondContact O-CA 3.25Å; T72-G75 PolarHBondContact O-N 3.45Å; T72-G75 VanDerWaalsContact O-N 3.08Å; T72-G75 PolarHBondContact OG1-N 3.08Å; T72-R76 PolarHBondContact O-N 3.13Å
73	E	94.7	Very high	90.4	Very high	132 Å²	132	72.7 Å²	72.7	62%	0.617	33%	0.326	S	S	*	.	H	α-helix	trans	-56.9	-46.8	171.8	-168	60	-156.6	0	0	111.7	G75 R76 E77	E73-G75 VanDerWaalsContact C-N 3.27Å; E73-G75 PolarHBondContact O-N 3.38Å; E73-R76 WeakPolarHBondContact O-CB 2.96Å; E73-R76 PolarHBondContact O-N 2.91Å; E73-R76 VanDerWaalsContact O-N 3.09Å; E73-E77 PolarHBondContact O-N 3.15Å
74	K	94.3	Very high	89.3	Confident	94 Å²	94	76.5 Å²	76.5	41%	0.409	35%	0.346	S	S	.	.	H	α-helix	trans	-58.8	-38.5	174	-170.7	-170.4	-173.3	-175.9	0	112.2	K52 E53 L54 T72 E78	K52-K74 WeakPolarHBondContact O-CE 3.25Å; K52-K74 PolarHBondContact O-NZ 3.28Å; E53-K74 HydrophobicContact CB-CD 4.15Å; E53-K74 IonicContact OE2-NZ 2.87Å; E53-K74 PolarHBondContact OE2-NZ 3.26Å; L54-K74 HydrophobicContact CD2-CB 4.49Å; L54-K74 HydrophobicContact CD2-CD 4.16Å; L54-K74 HydrophobicContact CD2-CG 3.91Å; T72-K74 VanDerWaalsContact C-N 3.32Å; T72-K74 PolarHBondContact O-N 3.2Å; K74-E78 WeakPolarHBondContact O-CB 3.29Å; K74-E78 PolarHBondContact O-N 2.86Å; K74-E78 VanDerWaalsContact O-N 3.09Å
75	G	93.2	Very high	88	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-40.4	174.7	0	0	0	0	0	113.3	L54 T72 E73 E78 A79	L54-G75 WeakPolarHBondContact O-CA 3.35Å; T72-G75 CarbonylContact O-C 3.56Å; T72-G75 WeakPolarHBondContact O-CA 3.25Å; T72-G75 PolarHBondContact O-N 3.45Å; T72-G75 VanDerWaalsContact O-N 3.08Å; T72-G75 PolarHBondContact OG1-N 3.08Å; E73-G75 VanDerWaalsContact C-N 3.27Å; E73-G75 PolarHBondContact O-N 3.38Å; G75-E78 PolarHBondContact O-N 3.13Å; G75-A79 WeakPolarHBondContact O-CB 3.25Å; G75-A79 PolarHBondContact O-N 3.02Å
76	R	92.4	Very high	86.5	Confident	135 Å²	135	62.3 Å²	62.3	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-65.6	-47.6	176.9	-176.7	-171.6	162	143	-0.4	111.3	T72 E73 E78 A79 E80	T72-R76 PolarHBondContact O-N 3.13Å; E73-R76 WeakPolarHBondContact O-CB 2.96Å; E73-R76 PolarHBondContact O-N 2.91Å; E73-R76 VanDerWaalsContact O-N 3.09Å; R76-E78 VanDerWaalsContact C-N 3.25Å; R76-E78 PolarHBondContact O-N 3.1Å; R76-A79 PolarHBondContact O-N 3.26Å; R76-E80 IonicContact CZ-OE1 2.75Å; R76-E80 IonicContact NE-OE1 2.86Å; R76-E80 PolarHBondContact NE-OE1 3.43Å; R76-E80 IonicContact NH2-OE1 3.23Å; R76-E80 PolarHBondContact NH2-OE1 3.22Å; R76-E80 WeakPolarHBondContact O-CG 3.32Å; R76-E80 PolarHBondContact O-N 3.26Å
77	E	91.8	Very high	85.3	Confident	101 Å²	101	63.5 Å²	63.5	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-57.4	-40.9	174.7	-69	179.7	-179.1	0	0	111.7	E73 E80 K81	E73-E77 PolarHBondContact O-N 3.15Å; E77-E80 PolarHBondContact O-N 3.41Å; E77-K81 WeakPolarHBondContact O-CG 3.49Å; E77-K81 PolarHBondContact O-N 3.39Å
78	E	89.9	Confident	84.1	Confident	44 Å²	44	65.5 Å²	65.5	21%	0.206	33%	0.325	C	S	.	.	H	α-helix	trans	-70.5	-39	178	-162.3	64.4	-167.8	0	0	111.8	Y7 L17 L54 K74 G75 R76 E80 K81 I82	Y7-E78 HydrophobicContact CD2-CG 3.84Å; Y7-E78 WeakPolarHBondContact CD2-OE1 3.49Å; Y7-E78 HydrophobicContact CE2-CG 3.87Å; Y7-E78 VanDerWaalsContact CE2-OE1 3.29Å; Y7-E78 WeakPolarHBondContact CE2-OE1 3.44Å; L17-E78 HydrophobicContact CD1-CG 4.32Å; L54-E78 HydrophobicContact CD2-CB 4.04Å; L54-E78 HydrophobicContact CD2-CG 4.45Å; K74-E78 WeakPolarHBondContact O-CB 3.29Å; K74-E78 PolarHBondContact O-N 2.86Å; K74-E78 VanDerWaalsContact O-N 3.09Å; G75-E78 PolarHBondContact O-N 3.13Å; R76-E78 VanDerWaalsContact C-N 3.25Å; R76-E78 PolarHBondContact O-N 3.1Å; E78-E80 VanDerWaalsContact C-N 3.28Å; E78-E80 PolarHBondContact O-N 3.32Å; E78-K81 PolarHBondContact O-N 3.15Å; E78-K81 IonicContact OE2-NZ 2.72Å; E78-K81 PolarHBondContact OE2-NZ 3.44Å; E78-I82 WeakPolarHBondContact O-CG1 3.38Å; E78-I82 PolarHBondContact O-N 2.69Å
79	A	88.9	Confident	82.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.4	-31.5	174.5	0	0	0	0	0	112.4	L17 K21 L71 G75 R76 I82 S83	L17-A79 HydrophobicContact CB-CB 4.16Å; K21-A79 HydrophobicContact CB-CB 4.08Å; K21-A79 HydrophobicContact CD-CB 4.16Å; K21-A79 HydrophobicContact CG-CB 4.49Å; L71-A79 HydrophobicContact CD1-CB 4.29Å; G75-A79 WeakPolarHBondContact O-CB 3.25Å; G75-A79 PolarHBondContact O-N 3.02Å; R76-A79 PolarHBondContact O-N 3.26Å; A79-I82 PolarHBondContact O-N 3.34Å; A79-S83 PolarHBondContact O-N 3.38Å; A79-S83 VanDerWaalsContact O-N 3.16Å; A79-S83 PolarHBondContact O-OG 3.41Å
80	E	87.5	Confident	81.7	Confident	69 Å²	69	70.6 Å²	70.6	32%	0.322	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-47.8	172.1	-75.7	174.5	-171.9	0	0	111.5	R76 E77 E78 I82 S83 D84	R76-E80 IonicContact CZ-OE1 2.75Å; R76-E80 IonicContact NE-OE1 2.86Å; R76-E80 PolarHBondContact NE-OE1 3.43Å; R76-E80 IonicContact NH2-OE1 3.23Å; R76-E80 PolarHBondContact NH2-OE1 3.22Å; R76-E80 WeakPolarHBondContact O-CG 3.32Å; R76-E80 PolarHBondContact O-N 3.26Å; E77-E80 PolarHBondContact O-N 3.41Å; E78-E80 VanDerWaalsContact C-N 3.28Å; E78-E80 PolarHBondContact O-N 3.32Å; E80-I82 PolarHBondContact O-N 3.29Å; E80-I82 VanDerWaalsContact O-N 3.14Å; E80-S83 WeakPolarHBondContact O-CB 3.44Å; E80-S83 PolarHBondContact O-N 3.03Å; E80-D84 PolarHBondContact O-N 2.97Å
81	K	84.4	Confident	80.9	Confident	119 Å²	119	73.1 Å²	73.1	52%	0.517	37%	0.365	S	S	.	.	H	α-helix	trans	-59.6	-28	175.1	-62.2	169.5	-157.3	159.8	0	113.7	E77 E78	E77-K81 WeakPolarHBondContact O-CG 3.49Å; E77-K81 PolarHBondContact O-N 3.39Å; E78-K81 PolarHBondContact O-N 3.15Å; E78-K81 IonicContact OE2-NZ 2.72Å; E78-K81 PolarHBondContact OE2-NZ 3.44Å
82	I	78.3	Confident	80.3	Confident	12 Å²	12	75.8 Å²	75.8	6%	0.062	38%	0.379	C	S	.	.	H	α-helix	trans	-74	-37.7	176.3	-63.3	171.3	0	0	0	110.8	Y7 P9 L17 E78 A79 E80 D84 A85	Y7-I82 HydrophobicContact CG-CD1 4.41Å; Y7-I82 WeakPolarHBondContact O-CG1 3.42Å; P9-I82 HydrophobicContact CB-CG2 3.76Å; P9-I82 HydrophobicContact CG-CG2 4.41Å; L17-I82 HydrophobicContact CB-CD1 3.83Å; L17-I82 HydrophobicContact CD1-CD1 3.62Å; L17-I82 HydrophobicContact CG-CD1 4.37Å; E78-I82 WeakPolarHBondContact O-CG1 3.38Å; E78-I82 PolarHBondContact O-N 2.69Å; A79-I82 PolarHBondContact O-N 3.34Å; E80-I82 PolarHBondContact O-N 3.29Å; E80-I82 VanDerWaalsContact O-N 3.14Å; I82-D84 VanDerWaalsContact C-N 3.33Å; I82-A85 WeakPolarHBondContact O-CB 3.37Å; I82-A85 PolarHBondContact O-N 2.98Å
83	S	70.8	Confident	79.9	Confident	64 Å²	64	75.2 Å²	75.2	45%	0.448	37%	0.374	S	S	.	.	H	α-helix	trans	-72.2	-27.4	174.5	-61.2	0	0	0	0	113.2	K21 A79 E80 A85	K21-S83 PolarHBondContact NZ-OG 3.4Å; A79-S83 PolarHBondContact O-N 3.38Å; A79-S83 VanDerWaalsContact O-N 3.16Å; A79-S83 PolarHBondContact O-OG 3.41Å; E80-S83 WeakPolarHBondContact O-CB 3.44Å; E80-S83 PolarHBondContact O-N 3.03Å; S83-A85 PolarHBondContact O-N 3.16Å
84	D	67	Low	79.6	Confident	129 Å²	129	72.3 Å²	72.3	69%	0.69	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.3	175.9	-62.6	-20.7	0	0	0	112.8	E80 I82	E80-D84 PolarHBondContact O-N 2.97Å; I82-D84 VanDerWaalsContact C-N 3.33Å
85	A	63.2	Low	79.4	Confident	40 Å²	40	75.4 Å²	75.4	33%	0.331	39%	0.393	S	S	.	.	S	Bend	trans	-61.3	137.5	167.4	0	0	0	0	0	108.3	I82 S83 D87	I82-A85 WeakPolarHBondContact O-CB 3.37Å; I82-A85 PolarHBondContact O-N 2.98Å; S83-A85 PolarHBondContact O-N 3.16Å; A85-D87 PolarHBondContact O-N 3.14Å
86	P	58.5	Low	79.4	Confident	91 Å²	91	79.3 Å²	79.3	59%	0.591	41%	0.411	S	S	*	.			trans	-46.4	132.5	178.1	-24.9	31.4	0	0	0	109.5	F88 E91	P86-F88 VanDerWaalsContact C-N 3.29Å; P86-F88 PolarHBondContact O-N 2.8Å; P86-E91 WeakPolarHBondContact CB-OE1 3.48Å
87	D	65.2	Low	79.4	Confident	75 Å²	75	75 Å²	75	40%	0.401	40%	0.401	S	S	.	.			trans	-61.8	101.6	176	-169.4	-14.7	0	0	0	106.8	A85 G89 E90 E91	A85-D87 PolarHBondContact O-N 3.14Å; D87-G89 PolarHBondContact O-N 3.29Å; D87-G89 WeakPolarHBondContact OD1-CA 3.49Å; D87-G89 PolarHBondContact OD1-N 3.35Å; D87-E90 HydrophobicContact CB-CB 4.26Å; D87-E90 HydrophobicContact CB-CG 4Å; D87-E90 WeakPolarHBondContact O-CB 3.47Å; D87-E90 PolarHBondContact O-N 3.32Å; D87-E91 PolarHBondContact O-N 3.39Å
88	F	67.3	Low	79.4	Confident	107 Å²	107	76.2 Å²	76.2	47%	0.469	41%	0.411	S	S	.	.	H	α-helix	trans	-56.1	-24.9	178.8	-177.1	-115.2	0	0	0	110.1	P86 L92	P86-F88 VanDerWaalsContact C-N 3.29Å; P86-F88 PolarHBondContact O-N 2.8Å; F88-L92 HydrophobicContact CD1-CD1 3.51Å; F88-L92 HydrophobicContact CD1-CG 3.93Å; F88-L92 HydrophobicContact CD2-CG 4.46Å; F88-L92 HydrophobicContact CE1-CD1 3.33Å; F88-L92 HydrophobicContact CE1-CD2 3.94Å; F88-L92 HydrophobicContact CE1-CG 3.68Å; F88-L92 HydrophobicContact CE2-CD2 4.27Å; F88-L92 HydrophobicContact CE2-CG 4.21Å; F88-L92 HydrophobicContact CG-CD1 4.33Å; F88-L92 HydrophobicContact CG-CG 4.33Å; F88-L92 HydrophobicContact CZ-CD1 3.99Å; F88-L92 HydrophobicContact CZ-CD2 3.7Å; F88-L92 HydrophobicContact CZ-CG 3.82Å; F88-L92 VanDerWaalsContact O-CB 3.26Å; F88-L92 WeakPolarHBondContact O-CB 3.26Å; F88-L92 WeakPolarHBondContact O-CG 3.13Å; F88-L92 PolarHBondContact O-N 2.86Å
89	G	69.5	Low	79.6	Confident	7 Å²	7	80.9 Å²	80.9	7%	0.072	43%	0.432	C	S	.	.	H	α-helix	trans	-60.2	-52.5	169.1	0	0	0	0	0	113.1	D87 E91 L92 F93	D87-G89 PolarHBondContact O-N 3.29Å; D87-G89 WeakPolarHBondContact OD1-CA 3.49Å; D87-G89 PolarHBondContact OD1-N 3.35Å; G89-E91 VanDerWaalsContact C-N 3.28Å; G89-E91 PolarHBondContact O-N 3.16Å; G89-L92 PolarHBondContact O-N 3.35Å; G89-L92 VanDerWaalsContact O-N 3.16Å; G89-F93 VanDerWaalsContact O-CD2 3.27Å; G89-F93 WeakPolarHBondContact O-CD2 3.41Å; G89-F93 PolarHBondContact O-N 3.33Å
90	E	72.4	Confident	79.9	Confident	123 Å²	123	85.8 Å²	85.8	58%	0.575	46%	0.455	S	S	*	.	H	α-helix	trans	-57	-43	177.6	-72.4	-175.8	-179.6	0	0	111.4	D87 F93 A94	D87-E90 HydrophobicContact CB-CB 4.26Å; D87-E90 HydrophobicContact CB-CG 4Å; D87-E90 WeakPolarHBondContact O-CB 3.47Å; D87-E90 PolarHBondContact O-N 3.32Å; E90-F93 CarbonylContact O-C 3.59Å; E90-A94 WeakPolarHBondContact O-CA 3.4Å; E90-A94 WeakPolarHBondContact O-CB 3.36Å; E90-A94 PolarHBondContact O-N 3.45Å
91	E	78.6	Confident	80.1	Confident	121 Å²	121	84.6 Å²	84.6	57%	0.565	45%	0.449	S	S	*	.	H	α-helix	trans	-66.5	-40.8	176.9	-69.5	-175.9	-179.6	0	0	112.8	P86 D87 G89 F93 A94	P86-E91 WeakPolarHBondContact CB-OE1 3.48Å; D87-E91 PolarHBondContact O-N 3.39Å; G89-E91 VanDerWaalsContact C-N 3.28Å; G89-E91 PolarHBondContact O-N 3.16Å; E91-F93 VanDerWaalsContact C-N 3.3Å; E91-F93 PolarHBondContact O-N 2.96Å; E91-A94 WeakPolarHBondContact O-CB 3.43Å; E91-A94 PolarHBondContact O-N 2.84Å
92	L	82.1	Confident	80.5	Confident	95 Å²	95	81.8 Å²	81.8	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-65	-34.7	179.3	-81.6	176.8	0	0	0	112.8	F88 G89	F88-L92 HydrophobicContact CD1-CD1 3.51Å; F88-L92 HydrophobicContact CD1-CG 3.93Å; F88-L92 HydrophobicContact CD2-CG 4.46Å; F88-L92 HydrophobicContact CE1-CD1 3.33Å; F88-L92 HydrophobicContact CE1-CD2 3.94Å; F88-L92 HydrophobicContact CE1-CG 3.68Å; F88-L92 HydrophobicContact CE2-CD2 4.27Å; F88-L92 HydrophobicContact CE2-CG 4.21Å; F88-L92 HydrophobicContact CG-CD1 4.33Å; F88-L92 HydrophobicContact CG-CG 4.33Å; F88-L92 HydrophobicContact CZ-CD1 3.99Å; F88-L92 HydrophobicContact CZ-CD2 3.7Å; F88-L92 HydrophobicContact CZ-CG 3.82Å; F88-L92 VanDerWaalsContact O-CB 3.26Å; F88-L92 WeakPolarHBondContact O-CB 3.26Å; F88-L92 WeakPolarHBondContact O-CG 3.13Å; F88-L92 PolarHBondContact O-N 2.86Å; G89-L92 PolarHBondContact O-N 3.35Å; G89-L92 VanDerWaalsContact O-N 3.16Å
93	F	87.7	Confident	81.3	Confident	21 Å²	21	85.2 Å²	85.2	9%	0.092	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	12.8	-178.3	-66.4	-82.2	0	0	0	112.7	G89 E90 E91 D95 F96 W104 W164	G89-F93 VanDerWaalsContact O-CD2 3.27Å; G89-F93 WeakPolarHBondContact O-CD2 3.41Å; G89-F93 PolarHBondContact O-N 3.33Å; E90-F93 CarbonylContact O-C 3.59Å; E91-F93 VanDerWaalsContact C-N 3.3Å; E91-F93 PolarHBondContact O-N 2.96Å; F93-D95 PolarHBondContact O-N 3.12Å; F93-F96 HydrophobicContact CB-CB 4.48Å; F93-F96 HydrophobicContact CB-CD2 4.47Å; F93-F96 HydrophobicContact CB-CG 4.5Å; F93-F96 AromaticContact CD1-CD1 3.82Å; F93-F96 HydrophobicContact CD1-CD1 3.82Å; F93-F96 HydrophobicContact CD1-CD2 4.07Å; F93-F96 AromaticContact CD1-CE1 3.98Å; F93-F96 HydrophobicContact CD1-CE1 3.98Å; F93-F96 HydrophobicContact CD1-CE2 4.22Å; F93-F96 AromaticContact CD1-CG 3.88Å; F93-F96 HydrophobicContact CD1-CG 3.88Å; F93-F96 HydrophobicContact CD1-CZ 4.18Å; F93-F96 HydrophobicContact CE1-CD1 4.33Å; F93-F96 HydrophobicContact CE1-CE1 4.1Å; F93-F96 HydrophobicContact CE1-CZ 4.33Å; F93-F96 WeakPolarHBondContact O-CB 3.37Å; F93-F96 PolarHBondContact O-N 3.02Å; F93-F96 VanDerWaalsContact O-N 3.08Å; F93-W104 AromaticContact CE1-CD1 3.87Å; F93-W104 HydrophobicContact CE1-CD2 4.35Å; F93-W104 HydrophobicContact CE1-CG 4.15Å; F93-W104 AromaticContact CE1-NE1 3.87Å; F93-W104 AromaticContact CZ-CE2 3.98Å; F93-W104 HydrophobicContact CZ-CZ2 4.45Å; F93-W104 AromaticContact CZ-NE1 3.59Å; F93-W164 HydrophobicContact CD2-CD2 4.23Å; F93-W164 AromaticContact CD2-CE3 3.48Å; F93-W164 HydrophobicContact CD2-CE3 3.48Å; F93-W164 VanDerWaalsContact CD2-CE3 3.48Å; F93-W164 HydrophobicContact CD2-CH2 4.07Å; F93-W164 AromaticContact CD2-CZ3 3.39Å; F93-W164 HydrophobicContact CD2-CZ3 3.39Å; F93-W164 HydrophobicContact CE2-CD2 4.31Å; F93-W164 AromaticContact CE2-CE3 3.7Å; F93-W164 HydrophobicContact CE2-CE3 3.7Å; F93-W164 AromaticContact CE2-CH2 3.39Å; F93-W164 HydrophobicContact CE2-CH2 3.39Å; F93-W164 HydrophobicContact CE2-CZ2 4.02Å; F93-W164 AromaticContact CE2-CZ3 3.2Å; F93-W164 HydrophobicContact CE2-CZ3 3.2Å; F93-W164 HydrophobicContact CG-CE3 4.4Å; F93-W164 HydrophobicContact CZ-CH2 4.16Å; F93-W164 HydrophobicContact CZ-CZ2 4.44Å; F93-W164 HydrophobicContact CZ-CZ3 4.31Å
94	A	87.9	Confident	82.5	Confident	71 Å²	71	87.7 Å²	87.7	59%	0.587	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-33	-175.8	0	0	0	0	0	113.3	E90 E91	E90-A94 WeakPolarHBondContact O-CA 3.4Å; E90-A94 WeakPolarHBondContact O-CB 3.36Å; E90-A94 PolarHBondContact O-N 3.45Å; E91-A94 WeakPolarHBondContact O-CB 3.43Å; E91-A94 PolarHBondContact O-N 2.84Å
95	D	91.1	Very high	83.7	Confident	159 Å²	159	83.9 Å²	83.9	85%	0.85	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-0.1	-179.7	-66.7	-33.9	0	0	0	113.4	F93	F93-D95 PolarHBondContact O-N 3.12Å
96	F	92	Very high	85.2	Confident	83 Å²	83	87.3 Å²	87.3	36%	0.364	45%	0.449	S	S	.	.			trans	-87.2	136.1	-178.5	-76	-125.2	0	0	0	110.4	F93 E100 K101	F93-F96 HydrophobicContact CB-CB 4.48Å; F93-F96 HydrophobicContact CB-CD2 4.47Å; F93-F96 HydrophobicContact CB-CG 4.5Å; F93-F96 AromaticContact CD1-CD1 3.82Å; F93-F96 HydrophobicContact CD1-CD1 3.82Å; F93-F96 HydrophobicContact CD1-CD2 4.07Å; F93-F96 AromaticContact CD1-CE1 3.98Å; F93-F96 HydrophobicContact CD1-CE1 3.98Å; F93-F96 HydrophobicContact CD1-CE2 4.22Å; F93-F96 AromaticContact CD1-CG 3.88Å; F93-F96 HydrophobicContact CD1-CG 3.88Å; F93-F96 HydrophobicContact CD1-CZ 4.18Å; F93-F96 HydrophobicContact CE1-CD1 4.33Å; F93-F96 HydrophobicContact CE1-CE1 4.1Å; F93-F96 HydrophobicContact CE1-CZ 4.33Å; F93-F96 WeakPolarHBondContact O-CB 3.37Å; F93-F96 PolarHBondContact O-N 3.02Å; F93-F96 VanDerWaalsContact O-N 3.08Å; F96-E100 WeakPolarHBondContact CA-OE2 3.41Å; F96-E100 HydrophobicContact CB-CB 4.22Å; F96-E100 HydrophobicContact CD1-CB 3.9Å; F96-E100 HydrophobicContact CG-CB 4.45Å; F96-K101 HydrophobicContact CB-CG 3.92Å
97	S	93	Very high	87	Confident	45 Å²	45	87 Å²	87	32%	0.315	44%	0.442	S	S	.	.			trans	-70	161.6	168.7	93.9	0	0	0	0	111.5	E99 E100 K101	S97-E99 WeakPolarHBondContact CB-OE2 3.27Å; S97-E99 PolarHBondContact O-N 3.4Å; S97-E99 PolarHBondContact OG-N 3.3Å; S97-E99 PolarHBondContact OG-OE2 3.25Å; S97-E100 PolarHBondContact N-OE2 2.9Å; S97-E100 PolarHBondContact O-N 3.14Å; S97-E100 PolarHBondContact OG-N 2.91Å; S97-K101 WeakPolarHBondContact O-CG 3.47Å; S97-K101 PolarHBondContact O-N 3.34Å
98	D	91.6	Very high	88.4	Confident	126 Å²	126	84.8 Å²	84.8	67%	0.674	43%	0.431	S	S	*	.	H	α-helix	trans	-59.4	-34.5	175.7	-68.2	-25.6	0	0	0	111.6	A102	D98-A102 WeakPolarHBondContact O-CB 3.45Å; D98-A102 PolarHBondContact O-N 2.87Å
99	E	95	Very high	89.6	Confident	141 Å²	141	84.2 Å²	84.2	66%	0.659	43%	0.43	S	S	*	.	H	α-helix	trans	-67.3	-39.5	173.8	-58.5	81	-173.9	0	0	112.4	S97 A102 E103	S97-E99 WeakPolarHBondContact CB-OE2 3.27Å; S97-E99 PolarHBondContact O-N 3.4Å; S97-E99 PolarHBondContact OG-N 3.3Å; S97-E99 PolarHBondContact OG-OE2 3.25Å; E99-A102 PolarHBondContact O-N 3.03Å; E99-E103 WeakPolarHBondContact O-CB 3.43Å; E99-E103 PolarHBondContact O-N 3.2Å
100	E	95	Very high	90.7	Very high	103 Å²	103	90.3 Å²	90.3	48%	0.481	45%	0.454	S	S	.	.	H	α-helix	trans	-67.7	-40.7	176.5	-68.2	176.6	137.7	0	0	111.5	F96 S97 E103 W104	F96-E100 WeakPolarHBondContact CA-OE2 3.41Å; F96-E100 HydrophobicContact CB-CB 4.22Å; F96-E100 HydrophobicContact CD1-CB 3.9Å; F96-E100 HydrophobicContact CG-CB 4.45Å; S97-E100 PolarHBondContact N-OE2 2.9Å; S97-E100 PolarHBondContact O-N 3.14Å; S97-E100 PolarHBondContact OG-N 2.91Å; E100-E103 PolarHBondContact O-N 3.35Å; E100-W104 VanDerWaalsContact O-CB 3.32Å; E100-W104 WeakPolarHBondContact O-CB 3.43Å; E100-W104 PolarHBondContact O-N 2.78Å
101	K	92	Very high	91.7	Very high	45 Å²	45	89.5 Å²	89.5	20%	0.196	45%	0.454	C	S	.	.	H	α-helix	trans	-60.9	-44.8	172.5	-69.3	-176.5	179.9	-169.1	0	111.2	F96 S97 W104 T105 W164	F96-K101 HydrophobicContact CB-CG 3.92Å; S97-K101 WeakPolarHBondContact O-CG 3.47Å; S97-K101 PolarHBondContact O-N 3.34Å; K101-W104 PolarHBondContact O-N 3.24Å; K101-T105 PolarHBondContact O-N 3.01Å; K101-T105 PolarHBondContact O-OG1 3.23Å; K101-T105 VanDerWaalsContact O-OG1 3.06Å; K101-W164 PolarHBondContact NZ-OXT 3.14Å; K101-W164 VanDerWaalsContact NZ-OXT 3.14Å
102	A	92.6	Very high	92.1	Very high	59 Å²	59	85.7 Å²	85.7	49%	0.488	44%	0.437	S	S	.	.	H	α-helix	trans	-64.1	-42.2	177.8	0	0	0	0	0	112.5	D98 E99 T105 R106	D98-A102 WeakPolarHBondContact O-CB 3.45Å; D98-A102 PolarHBondContact O-N 2.87Å; E99-A102 PolarHBondContact O-N 3.03Å; A102-T105 PolarHBondContact O-N 3.44Å; A102-R106 WeakPolarHBondContact O-CB 3.42Å; A102-R106 PolarHBondContact O-N 2.96Å
103	E	95.1	Very high	92.5	Very high	84 Å²	84	87.2 Å²	87.2	39%	0.393	44%	0.442	S	S	.	.	H	α-helix	trans	-66.9	-40.7	176.7	178.7	60.8	-172.1	0	0	111.7	E99 E100 R106 L107	E99-E103 WeakPolarHBondContact O-CB 3.43Å; E99-E103 PolarHBondContact O-N 3.2Å; E100-E103 PolarHBondContact O-N 3.35Å; E103-R106 WeakPolarHBondContact O-CB 3.41Å; E103-R106 PolarHBondContact O-N 3.43Å; E103-R106 IonicContact OE1-CZ 3.53Å; E103-R106 IonicContact OE1-NE 3.57Å; E103-R106 IonicContact OE1-NH2 2.67Å; E103-R106 PolarHBondContact OE1-NH2 2.97Å; E103-R106 IonicContact OE2-CZ 3.51Å; E103-R106 IonicContact OE2-NE 2.77Å; E103-R106 PolarHBondContact OE2-NE 3.16Å; E103-R106 IonicContact OE2-NH2 3.4Å; E103-R106 PolarHBondContact OE2-NH2 3.44Å; E103-L107 HydrophobicContact CG-CD1 4.24Å; E103-L107 VanDerWaalsContact O-CG 3.29Å; E103-L107 WeakPolarHBondContact O-CG 3.3Å; E103-L107 PolarHBondContact O-N 2.97Å
104	W	94.8	Very high	92.7	Very high	117 Å²	117	93.5 Å²	93.5	44%	0.443	47%	0.465	S	S	.	.	H	α-helix	trans	-57.8	-51	173	169.8	-102.3	0	0	0	111.7	F93 E100 K101 R106 L107 V108	F93-W104 AromaticContact CE1-CD1 3.87Å; F93-W104 HydrophobicContact CE1-CD2 4.35Å; F93-W104 HydrophobicContact CE1-CG 4.15Å; F93-W104 AromaticContact CE1-NE1 3.87Å; F93-W104 AromaticContact CZ-CE2 3.98Å; F93-W104 HydrophobicContact CZ-CZ2 4.45Å; F93-W104 AromaticContact CZ-NE1 3.59Å; E100-W104 VanDerWaalsContact O-CB 3.32Å; E100-W104 WeakPolarHBondContact O-CB 3.43Å; E100-W104 PolarHBondContact O-N 2.78Å; K101-W104 PolarHBondContact O-N 3.24Å; W104-R106 VanDerWaalsContact C-N 3.31Å; W104-R106 PolarHBondContact O-N 3.32Å; W104-L107 PolarHBondContact O-N 3.09Å; W104-L107 VanDerWaalsContact O-N 3.1Å; W104-V108 HydrophobicContact CD2-CG2 3.9Å; W104-V108 VanDerWaalsContact CE2-CG2 3.47Å; W104-V108 HydrophobicContact CE3-CG2 4.36Å; W104-V108 HydrophobicContact CG-CG2 4.44Å; W104-V108 HydrophobicContact CH2-CG2 4.09Å; W104-V108 HydrophobicContact CZ2-CG2 3.59Å; W104-V108 HydrophobicContact CZ3-CG2 4.45Å; W104-V108 WeakPolarHBondContact O-CG2 3.35Å; W104-V108 PolarHBondContact O-N 3.18Å
105	T	92.3	Very high	92.7	Very high	49 Å²	49	94.1 Å²	94.1	30%	0.301	46%	0.458	S	S	.	.	H	α-helix	trans	-54.7	-48.4	176.9	-63.5	0	0	0	0	110.9	K101 A102 L107 V108 E109	K101-T105 PolarHBondContact O-N 3.01Å; K101-T105 PolarHBondContact O-OG1 3.23Å; K101-T105 VanDerWaalsContact O-OG1 3.06Å; A102-T105 PolarHBondContact O-N 3.44Å; T105-L107 VanDerWaalsContact C-N 3.32Å; T105-L107 PolarHBondContact O-N 3.38Å; T105-V108 PolarHBondContact O-N 3.09Å; T105-E109 HydrophobicContact CG2-CG 4.41Å; T105-E109 WeakPolarHBondContact O-CB 3.4Å; T105-E109 WeakPolarHBondContact O-CG 3.41Å; T105-E109 PolarHBondContact O-N 3.18Å
106	R	95.8	Very high	92.3	Very high	112 Å²	112	92.8 Å²	92.8	42%	0.423	44%	0.444	S	S	.	.	H	α-helix	trans	-58.3	-40.9	177.3	-169.8	-167.7	71.8	76.5	-0.4	112.8	A102 E103 W104 K110	A102-R106 WeakPolarHBondContact O-CB 3.42Å; A102-R106 PolarHBondContact O-N 2.96Å; E103-R106 WeakPolarHBondContact O-CB 3.41Å; E103-R106 PolarHBondContact O-N 3.43Å; E103-R106 IonicContact OE1-CZ 3.53Å; E103-R106 IonicContact OE1-NE 3.57Å; E103-R106 IonicContact OE1-NH2 2.67Å; E103-R106 PolarHBondContact OE1-NH2 2.97Å; E103-R106 IonicContact OE2-CZ 3.51Å; E103-R106 IonicContact OE2-NE 2.77Å; E103-R106 PolarHBondContact OE2-NE 3.16Å; E103-R106 IonicContact OE2-NH2 3.4Å; E103-R106 PolarHBondContact OE2-NH2 3.44Å; W104-R106 VanDerWaalsContact C-N 3.31Å; W104-R106 PolarHBondContact O-N 3.32Å; R106-K110 WeakPolarHBondContact O-CB 3.47Å; R106-K110 PolarHBondContact O-N 2.91Å; R106-K110 VanDerWaalsContact O-N 3.15Å
107	L	95.6	Very high	92.1	Very high	83 Å²	83	95.1 Å²	95.1	44%	0.435	46%	0.461	S	S	.	.	H	α-helix	trans	-70.5	-40.8	179.2	-70.8	174.2	0	0	0	112	E103 W104 T105 K110 L111	E103-L107 HydrophobicContact CG-CD1 4.24Å; E103-L107 VanDerWaalsContact O-CG 3.29Å; E103-L107 WeakPolarHBondContact O-CG 3.3Å; E103-L107 PolarHBondContact O-N 2.97Å; W104-L107 PolarHBondContact O-N 3.09Å; W104-L107 VanDerWaalsContact O-N 3.1Å; T105-L107 VanDerWaalsContact C-N 3.32Å; T105-L107 PolarHBondContact O-N 3.38Å; L107-K110 PolarHBondContact O-N 2.9Å; L107-L111 PolarHBondContact O-N 3.22Å
108	V	94.2	Very high	91.7	Very high	29 Å²	29	98.8 Å²	98.8	18%	0.176	47%	0.473	C	S	.	.	H	α-helix	trans	-67.1	-42.6	177.1	172.2	0	0	0	0	111.2	W104 T105 K110 L111 N112 F159	W104-V108 HydrophobicContact CD2-CG2 3.9Å; W104-V108 VanDerWaalsContact CE2-CG2 3.47Å; W104-V108 HydrophobicContact CE3-CG2 4.36Å; W104-V108 HydrophobicContact CG-CG2 4.44Å; W104-V108 HydrophobicContact CH2-CG2 4.09Å; W104-V108 HydrophobicContact CZ2-CG2 3.59Å; W104-V108 HydrophobicContact CZ3-CG2 4.45Å; W104-V108 WeakPolarHBondContact O-CG2 3.35Å; W104-V108 PolarHBondContact O-N 3.18Å; T105-V108 PolarHBondContact O-N 3.09Å; V108-K110 VanDerWaalsContact C-N 3.35Å; V108-K110 PolarHBondContact O-N 2.83Å; V108-L111 WeakPolarHBondContact O-CB 3.46Å; V108-L111 PolarHBondContact O-N 2.92Å; V108-N112 WeakPolarHBondContact O-CB 3.29Å; V108-N112 PolarHBondContact O-N 3.37Å; V108-F159 HydrophobicContact CG1-CD1 4.32Å; V108-F159 HydrophobicContact CG1-CE1 4.14Å; V108-F159 HydrophobicContact CG1-CZ 4.49Å
109	E	93.1	Very high	90.7	Very high	95 Å²	95	97.6 Å²	97.6	44%	0.444	47%	0.466	S	S	.	.	H	α-helix	trans	-58.5	-47.1	174.2	-76.1	175.4	169.5	0	0	111.3	T105 L111 N112 E113	T105-E109 HydrophobicContact CG2-CG 4.41Å; T105-E109 WeakPolarHBondContact O-CB 3.4Å; T105-E109 WeakPolarHBondContact O-CG 3.41Å; T105-E109 PolarHBondContact O-N 3.18Å; E109-L111 VanDerWaalsContact C-N 3.28Å; E109-L111 PolarHBondContact O-N 3.34Å; E109-N112 WeakPolarHBondContact O-CB 3.35Å; E109-N112 PolarHBondContact O-N 3.12Å; E109-N112 VanDerWaalsContact O-N 3.09Å; E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 3.24Å
110	K	93.3	Very high	89.2	Confident	135 Å²	135	93.1 Å²	93.1	59%	0.587	46%	0.458	S	S	*	.	H	α-helix	trans	-59.3	-38.5	176.3	-175	177.7	-179.3	-179.5	0	112.4	R106 L107 V108 R114	R106-K110 WeakPolarHBondContact O-CB 3.47Å; R106-K110 PolarHBondContact O-N 2.91Å; R106-K110 VanDerWaalsContact O-N 3.15Å; L107-K110 PolarHBondContact O-N 2.9Å; V108-K110 VanDerWaalsContact C-N 3.35Å; V108-K110 PolarHBondContact O-N 2.83Å; K110-R114 PolarHBondContact O-N 3.44Å
111	L	92.7	Very high	87.4	Confident	107 Å²	107	97.3 Å²	97.3	56%	0.56	48%	0.478	S	S	*	.	H	α-helix	trans	-67.9	-43.4	174.4	178.4	62.5	0	0	0	111.3	L107 V108 E109 R114 L115	L107-L111 PolarHBondContact O-N 3.22Å; V108-L111 WeakPolarHBondContact O-CB 3.46Å; V108-L111 PolarHBondContact O-N 2.92Å; E109-L111 VanDerWaalsContact C-N 3.28Å; E109-L111 PolarHBondContact O-N 3.34Å; L111-R114 PolarHBondContact O-N 3.48Å; L111-L115 HydrophobicContact CD1-CD1 4.48Å; L111-L115 HydrophobicContact CD1-CG 4.43Å; L111-L115 HydrophobicContact CG-CD1 4.19Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 3.11Å
112	N	88.2	Confident	85.5	Confident	41 Å²	41	103.4 Å²	103.4	22%	0.219	51%	0.507	C	S	.	.	H	α-helix	trans	-61.2	-46.6	179	-169.2	6.3	0	0	0	111.3	V108 E109 R114 L115 K116	V108-N112 WeakPolarHBondContact O-CB 3.29Å; V108-N112 PolarHBondContact O-N 3.37Å; E109-N112 WeakPolarHBondContact O-CB 3.35Å; E109-N112 PolarHBondContact O-N 3.12Å; E109-N112 VanDerWaalsContact O-N 3.09Å; N112-R114 VanDerWaalsContact C-N 3.3Å; N112-R114 PolarHBondContact O-N 3.39Å; N112-L115 PolarHBondContact O-N 2.75Å; N112-K116 WeakPolarHBondContact O-CG 3.46Å; N112-K116 PolarHBondContact O-N 2.86Å; N112-K116 WeakPolarHBondContact OD1-CE 3.39Å
113	E	90.5	Very high	83.5	Confident	127 Å²	127	105 Å²	105	59%	0.593	51%	0.507	S	S	*	.	H	α-helix	trans	-57	-43.5	173	-72.4	-176.5	163.5	0	0	111.9	E109 L115 K116 N117	E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 3.24Å; E113-L115 PolarHBondContact O-N 3.28Å; E113-K116 PolarHBondContact O-N 3.32Å; E113-N117 VanDerWaalsContact O-CG 3.26Å; E113-N117 PolarHBondContact O-N 2.97Å; E113-N117 VanDerWaalsContact O-N 3.12Å; E113-N117 PolarHBondContact O-ND2 3.14Å; E113-N117 VanDerWaalsContact O-ND2 3.1Å
114	R	91.3	Very high	81.3	Confident	152 Å²	152	103.3 Å²	103.3	57%	0.574	51%	0.505	S	S	*	.	H	α-helix	trans	-63.1	-42.4	177.1	-176.6	55.9	-179.3	-110.3	6.4	111.7	K110 L111 N112 N117 E118	K110-R114 PolarHBondContact O-N 3.44Å; L111-R114 PolarHBondContact O-N 3.48Å; N112-R114 VanDerWaalsContact C-N 3.3Å; N112-R114 PolarHBondContact O-N 3.39Å; R114-N117 PolarHBondContact O-N 3.08Å; R114-E118 HydrophobicContact CG-CG 4.48Å; R114-E118 IonicContact CZ-OE1 3.41Å; R114-E118 VanDerWaalsContact CZ-OE1 3.23Å; R114-E118 IonicContact NE-OE1 3.25Å; R114-E118 PolarHBondContact NE-OE1 3.45Å; R114-E118 IonicContact NH2-OE1 2.74Å; R114-E118 PolarHBondContact NH2-OE1 2.96Å; R114-E118 VanDerWaalsContact O-CG 3.3Å; R114-E118 WeakPolarHBondContact O-CG 3.37Å; R114-E118 PolarHBondContact O-N 3.06Å; R114-E118 VanDerWaalsContact O-N 3.11Å
115	L	87.7	Confident	78.9	Confident	84 Å²	84	104.7 Å²	104.7	44%	0.44	52%	0.516	S	S	.	.	H	α-helix	trans	-65.3	-43.2	178	-72	171.6	0	0	0	112.2	L111 N112 E113 N117 E118 L119	L111-L115 HydrophobicContact CD1-CD1 4.48Å; L111-L115 HydrophobicContact CD1-CG 4.43Å; L111-L115 HydrophobicContact CG-CD1 4.19Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 3.11Å; N112-L115 PolarHBondContact O-N 2.75Å; E113-L115 PolarHBondContact O-N 3.28Å; L115-N117 VanDerWaalsContact C-N 3.26Å; L115-N117 PolarHBondContact O-N 2.88Å; L115-E118 PolarHBondContact O-N 3.24Å; L115-L119 HydrophobicContact CB-CD1 4.45Å; L115-L119 WeakPolarHBondContact O-CB 3.36Å; L115-L119 WeakPolarHBondContact O-CG 3.41Å; L115-L119 PolarHBondContact O-N 2.9Å
116	K	83.6	Confident	76.7	Confident	131 Å²	131	110 Å²	110	57%	0.57	54%	0.537	S	S	*	.	H	α-helix	trans	-57.4	-40.6	175.3	-73	176.6	-178.5	176.7	0	111.7	N112 E113 G120	N112-K116 WeakPolarHBondContact O-CG 3.46Å; N112-K116 PolarHBondContact O-N 2.86Å; N112-K116 WeakPolarHBondContact OD1-CE 3.39Å; E113-K116 PolarHBondContact O-N 3.32Å; K116-G120 PolarHBondContact O-N 3.1Å
117	N	86.8	Confident	74.1	Confident	133 Å²	133	113 Å²	113	71%	0.711	55%	0.554	S	S	*	*	H	α-helix	trans	-70.7	-33.8	179	-69.7	-30	0	0	0	113.6	E113 R114 L115	E113-N117 VanDerWaalsContact O-CG 3.26Å; E113-N117 PolarHBondContact O-N 2.97Å; E113-N117 VanDerWaalsContact O-N 3.12Å; E113-N117 PolarHBondContact O-ND2 3.14Å; E113-N117 VanDerWaalsContact O-ND2 3.1Å; R114-N117 PolarHBondContact O-N 3.08Å; L115-N117 VanDerWaalsContact C-N 3.26Å; L115-N117 PolarHBondContact O-N 2.88Å
118	E	84	Confident	71.8	Confident	121 Å²	121	114.9 Å²	114.9	57%	0.565	56%	0.559	S	S	*	*	H	α-helix	trans	-83.1	-32.8	-179.4	-66.2	-77	169.4	0	0	112.7	R114 L115	R114-E118 HydrophobicContact CG-CG 4.48Å; R114-E118 IonicContact CZ-OE1 3.41Å; R114-E118 VanDerWaalsContact CZ-OE1 3.23Å; R114-E118 IonicContact NE-OE1 3.25Å; R114-E118 PolarHBondContact NE-OE1 3.45Å; R114-E118 IonicContact NH2-OE1 2.74Å; R114-E118 PolarHBondContact NH2-OE1 2.96Å; R114-E118 VanDerWaalsContact O-CG 3.3Å; R114-E118 WeakPolarHBondContact O-CG 3.37Å; R114-E118 PolarHBondContact O-N 3.06Å; R114-E118 VanDerWaalsContact O-N 3.11Å; L115-E118 PolarHBondContact O-N 3.24Å
119	L	71.3	Confident	69.2	Low	101 Å²	101	116.6 Å²	116.6	53%	0.529	58%	0.582	S	S	.	*	H	α-helix	trans	-87.3	-20.4	-174	-68.8	171.4	0	0	0	114	L115 D123	L115-L119 HydrophobicContact CB-CD1 4.45Å; L115-L119 WeakPolarHBondContact O-CB 3.36Å; L115-L119 WeakPolarHBondContact O-CG 3.41Å; L115-L119 PolarHBondContact O-N 2.9Å; L119-D123 WeakPolarHBondContact O-CB 3.48Å
120	G	63.8	Low	66.4	Low	48 Å²	48	115.1 Å²	115.1	50%	0.495	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	58.2	165.7	-175.8	0	0	0	0	0	113.4	K116 E122	K116-G120 PolarHBondContact O-N 3.1Å; G120-E122 PolarHBondContact O-N 3.37Å
121	E	57.8	Low	63.8	Low	191 Å²	191	112.3 Å²	112.3	89%	0.893	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-13.2	177.7	-69	-177.1	161.1	0	0	112.7
122	E	52.1	Low	61.2	Low	172 Å²	172	119.6 Å²	119.6	80%	0.804	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-27.1	-166.9	-64.1	-175.2	156.1	0	0	114.8	G120 S124	G120-E122 PolarHBondContact O-N 3.37Å; E122-S124 VanDerWaalsContact C-N 3.29Å; E122-S124 PolarHBondContact O-N 3.04Å
123	D	49	Very low	58.7	Low	93 Å²	93	120.8 Å²	120.8	50%	0.497	64%	0.644	S	S	.	*	H	α-helix	trans	-77.3	-11.7	-175.5	-79.1	-10.3	0	0	0	114.2	L119 E125 E126 F127	L119-D123 WeakPolarHBondContact O-CB 3.48Å; D123-E125 VanDerWaalsContact C-N 3.29Å; D123-E125 PolarHBondContact O-N 3.18Å; D123-E126 PolarHBondContact O-N 3.32Å; D123-F127 PolarHBondContact O-N 3.47Å
124	S	49.7	Very low	56.2	Low	49 Å²	49	124 Å²	124	34%	0.343	66%	0.657	S	S	.	*	H	α-helix	trans	-68.3	-24.9	-177.3	69.2	0	0	0	0	113.6	E122	E122-S124 VanDerWaalsContact C-N 3.29Å; E122-S124 PolarHBondContact O-N 3.04Å
125	E	44.3	Very low	53.9	Low	146 Å²	146	125.6 Å²	125.6	68%	0.682	68%	0.676	S	S	*	*	H	α-helix	trans	-83.7	-33.3	177.1	-66.5	-151.9	151.5	0	0	112.9	D123	D123-E125 VanDerWaalsContact C-N 3.29Å; D123-E125 PolarHBondContact O-N 3.18Å
126	E	45.4	Very low	51.7	Low	159 Å²	159	123 Å²	123	74%	0.743	67%	0.671	S	S	*	*	H	α-helix	trans	-80.7	-35.1	-176.8	-73.1	-164.1	165.8	0	0	113.2	D123 F128 G129	D123-E126 PolarHBondContact O-N 3.32Å; E126-F128 VanDerWaalsContact C-N 3.26Å; E126-F128 PolarHBondContact O-N 3.46Å; E126-G129 PolarHBondContact O-N 2.86Å
127	F	42.2	Very low	49.7	Very low	176 Å²	176	123.5 Å²	123.5	77%	0.772	69%	0.687	S	S	*	*	H	α-helix	trans	-66.3	-27.1	-175.1	-159.3	-98.3	0	0	0	113.4	D123	D123-F127 PolarHBondContact O-N 3.47Å
128	F	47.5	Very low	47.9	Very low	123 Å²	123	128 Å²	128	54%	0.539	69%	0.694	S	S	.	*	H	α-helix	trans	-104.2	-8.1	-175.5	-68.6	-83.3	0	0	0	114.3	E126	E126-F128 VanDerWaalsContact C-N 3.26Å; E126-F128 PolarHBondContact O-N 3.46Å
129	G	39.1	Very low	45.9	Very low	65 Å²	65	127 Å²	127	67%	0.67	70%	0.698	S	S	*	*	H	α-helix	trans	-107.6	-11.4	-173.8	0	0	0	0	0	117.5	E126 G131	E126-G129 PolarHBondContact O-N 2.86Å; G129-G131 PolarHBondContact O-N 3.21Å; G129-G131 VanDerWaalsContact O-N 3.16Å
130	G	33.9	Very low	44.5	Very low	63 Å²	63	128.3 Å²	128.3	65%	0.649	71%	0.713	S	S	*	*			trans	-89.3	75.1	-169	0	0	0	0	0	115.8	R132	G130-R132 PolarHBondContact O-N 3.15Å
131	G	39.7	Very low	43.8	Very low	77 Å²	77	134.3 Å²	134.3	79%	0.794	73%	0.728	S	S	*	*			trans	-64.6	92.1	162.5	0	0	0	0	0	111.1	G129 G133	G129-G131 PolarHBondContact O-N 3.21Å; G129-G131 VanDerWaalsContact O-N 3.16Å; G131-G133 PolarHBondContact O-N 3.1Å
132	R	37.5	Very low	42.7	Very low	259 Å²	259	129 Å²	129	98%	0.977	72%	0.724	S	S	*	*			trans	-65.6	96.8	164	-69.2	-168	-166.8	-174.5	4.7	108.3	G130	G130-R132 PolarHBondContact O-N 3.15Å
133	G	36.2	Very low	42.3	Very low	67 Å²	67	129.2 Å²	129.2	69%	0.691	73%	0.725	S	S	*	*			trans	-163.7	113.8	176.4	0	0	0	0	0	111.5	G131	G131-G133 PolarHBondContact O-N 3.1Å
134	F	37.6	Very low	41.8	Very low	195 Å²	195	127 Å²	127	86%	0.855	72%	0.724	S	S	*	*			trans	91.5	75.1	167.6	-138.8	-95.9	0	0	0	117.1	G136	F134-G136 VanDerWaalsContact C-N 3.32Å; F134-G136 PolarHBondContact O-N 2.84Å
135	D	42.2	Very low	41.4	Very low	184 Å²	184	131.3 Å²	131.3	98%	0.984	75%	0.751	S	S	*	*			trans	-64.8	89.5	156.3	-91	-60.4	0	0	0	109.6
136	G	42.2	Very low	41.5	Very low	31 Å²	31	132.2 Å²	132.2	32%	0.32	76%	0.755	S	S	.	*			trans	-135.1	141.6	167.6	0	0	0	0	0	109.4	F134 R138	F134-G136 VanDerWaalsContact C-N 3.32Å; F134-G136 PolarHBondContact O-N 2.84Å; G136-R138 PolarHBondContact O-N 2.68Å; G136-R138 VanDerWaalsContact O-N 3.16Å
137	P	40.9	Very low	41.1	Very low	141 Å²	141	128.2 Å²	128.2	92%	0.916	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-63.7	118.1	-172.5	-17	29.3	0	0	0	111.4
138	R	50.1	Low	40.9	Very low	227 Å²	227	131.9 Å²	131.9	86%	0.857	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-94.2	137.2	171.8	-70	-174.3	179.5	174	2.1	110.7	G136	G136-R138 PolarHBondContact O-N 2.68Å; G136-R138 VanDerWaalsContact O-N 3.16Å
139	P	41.6	Very low	40.5	Very low	100 Å²	100	128.8 Å²	128.8	65%	0.649	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-73.2	158.4	178.9	0.3	14.7	0	0	0	112.2	H141	P139-H141 PolarHBondContact O-N 3.26Å
140	P	41.3	Very low	40.4	Very low	129 Å²	129	131.1 Å²	131.1	84%	0.838	77%	0.771	S	S	*	*			trans	-75.1	110.1	-175.3	30.1	-31.1	0	0	0	110.5
141	H	49.5	Very low	40.7	Very low	174 Å²	174	132.9 Å²	132.9	81%	0.806	78%	0.78	S	S	*	*			trans	-108.5	126.2	167.3	-82.2	-37.9	0	0	0	110.8	P139	P139-H141 PolarHBondContact O-N 3.26Å
142	G	34.3	Very low	40.7	Very low	80 Å²	80	136.5 Å²	136.5	83%	0.825	78%	0.775	S	S	*	*			trans	-62	136.7	-171.5	0	0	0	0	0	114.3	G144	G142-G144 PolarHBondContact O-N 3.22Å
143	H	43.6	Very low	40.7	Very low	175 Å²	175	129.5 Å²	129.5	81%	0.81	77%	0.766	S	S	*	*			trans	-77.5	115.1	170.7	-93.9	-0.9	0	0	0	110.9
144	G	38.3	Very low	41	Very low	48 Å²	48	133.6 Å²	133.6	50%	0.495	76%	0.761	S	S	.	*			trans	-76.5	159.8	153.2	0	0	0	0	0	110.3	G142 H146	G142-G144 PolarHBondContact O-N 3.22Å; G144-H146 PolarHBondContact O-N 2.95Å
145	P	41.7	Very low	41.1	Very low	139 Å²	139	133.3 Å²	133.3	90%	0.903	76%	0.762	S	S	*	*			trans	-74.1	116.4	-170.3	30	-31.8	0	0	0	110.5	G147	P145-G147 PolarHBondContact O-N 3.28Å
146	H	47.6	Very low	41	Very low	165 Å²	165	130.2 Å²	130.2	76%	0.764	74%	0.74	S	S	*	*			trans	-72.5	112.3	169	-73.9	-74.7	0	0	0	109.5	G144 R148	G144-H146 PolarHBondContact O-N 2.95Å; H146-R148 PolarHBondContact O-N 2.9Å
147	G	35.7	Very low	41	Very low	75 Å²	75	133.2 Å²	133.2	77%	0.773	75%	0.748	S	S	*	*			trans	-66	118.4	166.8	0	0	0	0	0	110.1	P145 G149	P145-G147 PolarHBondContact O-N 3.28Å; G147-G149 PolarHBondContact O-N 3.06Å
148	R	38.9	Very low	40.9	Very low	253 Å²	253	131.3 Å²	131.3	96%	0.955	73%	0.73	S	S	*	*			trans	-75.2	100.1	173.7	-159.5	180	-168.6	-167.2	3.3	108	H146	H146-R148 PolarHBondContact O-N 2.9Å
149	G	39.8	Very low	40.4	Very low	57 Å²	57	125.7 Å²	125.7	59%	0.588	71%	0.712	S	S	*	*			trans	-67.3	159.6	169.8	0	0	0	0	0	111.2	G147 A151	G147-G149 PolarHBondContact O-N 3.06Å; G149-A151 PolarHBondContact O-N 2.91Å
150	P	36.4	Very low	40.3	Very low	115 Å²	115	124.4 Å²	124.4	75%	0.747	71%	0.709	S	S	*	*			trans	-65.3	131.9	-176.5	-3.1	17.3	0	0	0	109.9	H152	P150-H152 PolarHBondContact O-N 3.41Å; P150-H152 VanDerWaalsContact O-N 3.14Å
151	A	40	Very low	40.5	Very low	100 Å²	100	123.8 Å²	123.8	83%	0.826	70%	0.699	S	S	*	*			trans	-67.4	108.9	168.5	0	0	0	0	0	108.2	G149 S153	G149-A151 PolarHBondContact O-N 2.91Å; A151-S153 PolarHBondContact O-N 2.87Å
152	H	39.5	Very low	40.2	Very low	152 Å²	152	121 Å²	121	70%	0.704	69%	0.685	S	S	*	*			trans	-74	103	165	-79.6	-76.1	0	0	0	107.8	P150 R154	P150-H152 PolarHBondContact O-N 3.41Å; P150-H152 VanDerWaalsContact O-N 3.14Å; H152-R154 VanDerWaalsContact C-N 3.31Å; H152-R154 PolarHBondContact O-N 3.4Å
153	S	36.7	Very low	40.6	Very low	112 Å²	112	124.5 Å²	124.5	78%	0.783	69%	0.685	S	S	*	*			trans	-65.9	92.7	164	43.2	0	0	0	0	108.5	A151	A151-S153 PolarHBondContact O-N 2.87Å
154	R	42.9	Very low	41	Very low	154 Å²	154	120.6 Å²	120.6	58%	0.581	66%	0.663	S	S	*	*			trans	-92.5	104.3	166.1	-69.8	-174.1	-175.8	170.7	-0.9	107.2	D30 H152 F156	D30-R154 IonicContact OD2-NH1 2.89Å; H152-R154 VanDerWaalsContact C-N 3.31Å; H152-R154 PolarHBondContact O-N 3.4Å; R154-F156 PolarHBondContact O-N 3.02Å; R154-F156 VanDerWaalsContact O-N 3.14Å
155	H	40.3	Very low	41.2	Very low	189 Å²	189	124.3 Å²	124.3	88%	0.875	67%	0.672	S	S	*	*			trans	-53	117.2	169.5	-89.5	-92	0	0	0	108.7
156	F	40.8	Very low	41.1	Very low	119 Å²	119	123.5 Å²	123.5	52%	0.522	66%	0.659	S	S	.	*			trans	-86.5	118.7	173.6	-134.4	-96.1	0	0	0	108.1	V34 R154	V34-F156 HydrophobicContact CB-CE1 4.35Å; V34-F156 HydrophobicContact CB-CE2 4.18Å; V34-F156 HydrophobicContact CB-CZ 3.77Å; V34-F156 HydrophobicContact CG1-CE1 3.52Å; V34-F156 HydrophobicContact CG1-CE2 4.05Å; V34-F156 HydrophobicContact CG1-CZ 3.16Å; V34-F156 HydrophobicContact CG2-CD2 4.01Å; V34-F156 HydrophobicContact CG2-CE1 4.09Å; V34-F156 HydrophobicContact CG2-CE2 3.11Å; V34-F156 HydrophobicContact CG2-CZ 3.2Å; R154-F156 PolarHBondContact O-N 3.02Å; R154-F156 VanDerWaalsContact O-N 3.14Å
157	L	41.7	Very low	40.8	Very low	93 Å²	93	121.2 Å²	121.2	49%	0.487	65%	0.654	S	S	.	*			trans	18.2	110.2	172.6	-66.1	161.7	0	0	0	115.6
158	D	39.4	Very low	41.1	Very low	102 Å²	102	123.9 Å²	123.9	55%	0.545	65%	0.647	S	S	.	*			trans	-67.3	137.4	163.4	-157.7	-20.4	0	0	0	107.9	A160 D161	D158-A160 HydrophobicContact CB-CB 4.35Å; D158-A160 PolarHBondContact O-N 3.39Å; D158-A160 VanDerWaalsContact O-N 3.09Å; D158-D161 WeakPolarHBondContact O-CB 3.5Å; D158-D161 PolarHBondContact O-N 3.4Å
159	F	38.3	Very low	41.2	Very low	109 Å²	109	115.8 Å²	115.8	48%	0.478	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-61.5	-20.1	177.1	-112	-92.9	0	0	0	111.3	V108 D161 F162	V108-F159 HydrophobicContact CG1-CD1 4.32Å; V108-F159 HydrophobicContact CG1-CE1 4.14Å; V108-F159 HydrophobicContact CG1-CZ 4.49Å; F159-D161 PolarHBondContact O-N 2.77Å; F159-F162 PolarHBondContact O-N 2.67Å
160	A	40.6	Very low	41.3	Very low	72 Å²	72	119.7 Å²	119.7	60%	0.595	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-62.9	-17.3	172.1	0	0	0	0	0	114.6	D158 F162	D158-A160 HydrophobicContact CB-CB 4.35Å; D158-A160 PolarHBondContact O-N 3.39Å; D158-A160 VanDerWaalsContact O-N 3.09Å; A160-F162 PolarHBondContact O-N 3.34Å
161	D	44.8	Very low	41.7	Very low	116 Å²	116	120.1 Å²	120.1	62%	0.62	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-77.1	-10.1	176.6	-66.3	-35.2	0	0	0	112.6	D158 F159	D158-D161 WeakPolarHBondContact O-CB 3.5Å; D158-D161 PolarHBondContact O-N 3.4Å; F159-D161 PolarHBondContact O-N 2.77Å
162	F	42.1	Very low	41.8	Very low	116 Å²	116	121.6 Å²	121.6	51%	0.509	61%	0.606	S	S	.	*			trans	-85.2	111.5	171	-92.1	-96.1	0	0	0	110.1	F159 A160	F159-F162 PolarHBondContact O-N 2.67Å; A160-F162 PolarHBondContact O-N 3.34Å
163	N	44	Very low	42	Very low	154 Å²	154	119.1 Å²	119.1	82%	0.824	60%	0.598	S	S	*	*			trans	-95.9	109.9	170.7	-158.1	33.3	0	0	0	108.4
164	W	52.4	Low	42.5	Very low	93 Å²	93	119.7 Å²	119.7	35%	0.352	58%	0.581	S	S	.	*			trans	-84	0	177.6	-59.2	103.4	0	0	0	113.7	F93 K101	F93-W164 HydrophobicContact CD2-CD2 4.23Å; F93-W164 AromaticContact CD2-CE3 3.48Å; F93-W164 HydrophobicContact CD2-CE3 3.48Å; F93-W164 VanDerWaalsContact CD2-CE3 3.48Å; F93-W164 HydrophobicContact CD2-CH2 4.07Å; F93-W164 AromaticContact CD2-CZ3 3.39Å; F93-W164 HydrophobicContact CD2-CZ3 3.39Å; F93-W164 HydrophobicContact CE2-CD2 4.31Å; F93-W164 AromaticContact CE2-CE3 3.7Å; F93-W164 HydrophobicContact CE2-CE3 3.7Å; F93-W164 AromaticContact CE2-CH2 3.39Å; F93-W164 HydrophobicContact CE2-CH2 3.39Å; F93-W164 HydrophobicContact CE2-CZ2 4.02Å; F93-W164 AromaticContact CE2-CZ3 3.2Å; F93-W164 HydrophobicContact CE2-CZ3 3.2Å; F93-W164 HydrophobicContact CG-CE3 4.4Å; F93-W164 HydrophobicContact CZ-CH2 4.16Å; F93-W164 HydrophobicContact CZ-CZ2 4.44Å; F93-W164 HydrophobicContact CZ-CZ3 4.31Å; K101-W164 PolarHBondContact NZ-OXT 3.14Å; K101-W164 VanDerWaalsContact NZ-OXT 3.14Å

Retrieved 164 of 164 residues in 41.5 ms (Link to these results)

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