A0A077Z585_TRITR Loading...

Cleavage stimulation factor subunit 2

AlphaFold DB , UniProt , Accession A0A077Z585, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 246 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	41.2	Very low	67.3	Low	230 Å²	230	68.9 Å²	68.9	100%	1.133	37%	0.371	S	S	*	.				0	126.8	0	-69.4	-176.3	-112.4	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 2.93Å; M1-S3 VanDerWaalsContact O-N 3.15Å
2	Q	43.5	Very low	68.7	Low	157 Å²	157	64.3 Å²	64.3	73%	0.734	35%	0.352	S	S	*	.			trans	-74.7	100.7	170	-88.1	177.9	13.8	0	0	107.4	L4	Q2-L4 PolarHBondContact O-N 3.25Å
3	S	51.5	Low	70	Confident	103 Å²	103	65.1 Å²	65.1	72%	0.72	36%	0.356	S	S	*	.			trans	-70.7	121.1	166.9	-175.7	0	0	0	0	107.3	M1	M1-S3 PolarHBondContact O-N 2.93Å; M1-S3 VanDerWaalsContact O-N 3.15Å
4	L	61.1	Low	70.9	Confident	12 Å²	12	60.7 Å²	60.7	6%	0.063	33%	0.332	C	S	.	.			trans	-71.5	142	166.7	-63.5	-172.9	0	0	0	108.9	Q2 T6 A69 A70 L73 A90	Q2-L4 PolarHBondContact O-N 3.25Å; L4-T6 VanDerWaalsContact C-N 3.26Å; L4-T6 WeakPolarHBondContact CB-O 3.42Å; L4-A69 HydrophobicContact CD1-CB 3.97Å; L4-A70 HydrophobicContact CD1-CB 4.05Å; L4-A70 HydrophobicContact CG-CB 3.83Å; L4-L73 HydrophobicContact CD1-CB 4.43Å; L4-L73 HydrophobicContact CD1-CD2 4.09Å; L4-L73 HydrophobicContact CD2-CD2 3.86Å; L4-L73 HydrophobicContact CG-CD2 4.49Å; L4-A90 HydrophobicContact CD1-CB 4.43Å; L4-A90 HydrophobicContact CD2-CB 3.48Å; L4-A90 VanDerWaalsContact CD2-CB 3.48Å
5	L	64.5	Low	71.4	Confident	140 Å²	140	57.7 Å²	57.7	73%	0.733	32%	0.316	S	S	*	.	S	Bend	trans	-73.2	-25.3	173.5	-100.8	74	0	0	0	111.6	K66	L5-K66 WeakPolarHBondContact O-CD 3.33Å; L5-K66 WeakPolarHBondContact O-CE 3.27Å; L5-K66 PolarHBondContact O-NZ 3.1Å
6	T	70.8	Confident	72	Confident	41 Å²	41	63.5 Å²	63.5	25%	0.252	33%	0.333	S	S	.	.			trans	-125.1	153.6	-172.6	57.3	0	0	0	0	110.9	L4 V8 A91	L4-T6 VanDerWaalsContact C-N 3.26Å; L4-T6 WeakPolarHBondContact CB-O 3.42Å; T6-V8 VanDerWaalsContact C-N 3.26Å; T6-V8 PolarHBondContact OG1-O 3.22Å; T6-A91 PolarHBondContact OG1-O 3.38Å
7	N	76.6	Confident	72.4	Confident	42 Å²	42	67.8 Å²	67.8	23%	0.225	36%	0.357	C	S	.	.	S	Bend	trans	-86.8	2.2	171.7	60.8	-54.9	0	0	0	112.1	E62 F63 K66	N7-E62 VanDerWaalsContact ND2-CG 3.29Å; N7-E62 WeakPolarHBondContact ND2-CG 3.48Å; N7-E62 PolarHBondContact ND2-OE1 3.25Å; N7-F63 WeakPolarHBondContact CB-O 3.38Å; N7-F63 PolarHBondContact ND2-O 2.94Å; N7-F63 PolarHBondContact O-N 2.91Å; N7-K66 HydrophobicContact CB-CG 4.17Å
8	V	81.8	Confident	72.6	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136	179.9	-172.4	0	0	0	0	110.2	T6 F60 C61 E62 A91 I100	T6-V8 VanDerWaalsContact C-N 3.26Å; T6-V8 PolarHBondContact OG1-O 3.22Å; V8-F60 HydrophobicContact CG1-CB 4.09Å; V8-C61 CarbonylContact C-O 3.42Å; V8-C61 WeakPolarHBondContact CA-O 3.38Å; V8-E62 HydrophobicContact CG2-CB 4.21Å; V8-E62 HydrophobicContact CG2-CG 4.1Å; V8-A91 HydrophobicContact CB-CB 4.06Å; V8-A91 HydrophobicContact CG1-CB 3.97Å; V8-A91 WeakPolarHBondContact O-CB 3.43Å; V8-A91 PolarHBondContact O-N 3.2Å; V8-I100 HydrophobicContact CB-CD1 3.91Å; V8-I100 HydrophobicContact CB-CG1 4.45Å; V8-I100 HydrophobicContact CG1-CD1 3.76Å; V8-I100 HydrophobicContact CG1-CG1 3.87Å; V8-I100 HydrophobicContact CG2-CD1 4.34Å; V8-I100 HydrophobicContact CG2-CG2 4.04Å
9	V	83.4	Confident	72.8	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.2	171.8	-54.1	0	0	0	0	109.9	V11 F60 C61 F63 A69 I88 D89	V9-V11 HydrophobicContact CG2-CG2 4.06Å; V9-F60 CarbonylContact O-C 3.56Å; V9-F60 WeakPolarHBondContact O-CA 3.29Å; V9-C61 HydrophobicContact CG2-CB 3.79Å; V9-C61 PolarHBondContact N-O 3.42Å; V9-C61 PolarHBondContact O-N 3.45Å; V9-F63 HydrophobicContact CB-CE2 4.2Å; V9-F63 HydrophobicContact CG1-CD2 4.06Å; V9-F63 HydrophobicContact CG1-CE2 3.68Å; V9-F63 HydrophobicContact CG2-CD2 4.33Å; V9-F63 HydrophobicContact CG2-CE2 3.48Å; V9-F63 VanDerWaalsContact CG2-CE2 3.48Å; V9-F63 HydrophobicContact CG2-CZ 4.28Å; V9-A69 HydrophobicContact CG1-CB 4.12Å; V9-I88 HydrophobicContact CB-CG2 3.95Å; V9-I88 HydrophobicContact CG2-CG2 3.9Å; V9-D89 WeakPolarHBondContact CA-O 3.2Å
10	S	81.8	Confident	72.8	Confident	28 Å²	28	65 Å²	65	20%	0.196	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.7	169.3	60.2	0	0	0	0	109.4	I88 D89	S10-I88 WeakPolarHBondContact O-CA 3.32Å; S10-D89 PolarHBondContact N-O 3.03Å; S10-D89 PolarHBondContact O-N 2.7Å; S10-D89 PolarHBondContact OG-O 2.99Å
11	V	83.5	Confident	72.9	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.012	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.1	179	-171.3	0	0	0	0	108	V9 I14 F27 Y58 G59 C61 L86 R87 I88	V9-V11 HydrophobicContact CG2-CG2 4.06Å; V11-I14 HydrophobicContact CB-CD1 4.03Å; V11-I14 HydrophobicContact CG1-CD1 3.77Å; V11-I14 HydrophobicContact CG1-CG1 3.83Å; V11-F27 HydrophobicContact CB-CE2 4.45Å; V11-F27 HydrophobicContact CB-CZ 4.15Å; V11-F27 HydrophobicContact CG1-CE2 4.05Å; V11-F27 HydrophobicContact CG1-CZ 3.71Å; V11-F27 HydrophobicContact CG2-CE1 4.12Å; V11-F27 HydrophobicContact CG2-CE2 3.75Å; V11-F27 HydrophobicContact CG2-CZ 3.31Å; V11-Y58 CarbonylContact O-C 3.59Å; V11-Y58 WeakPolarHBondContact O-CA 3.42Å; V11-Y58 WeakPolarHBondContact O-CB 3.5Å; V11-G59 PolarHBondContact N-O 2.98Å; V11-G59 PolarHBondContact O-N 3.49Å; V11-G59 VanDerWaalsContact O-O 3.12Å; V11-C61 HydrophobicContact CG2-CB 4.24Å; V11-L86 HydrophobicContact CG1-CB 4.47Å; V11-R87 CarbonylContact C-O 3.22Å; V11-R87 WeakPolarHBondContact CA-O 3.24Å; V11-I88 HydrophobicContact CG1-CG1 4.23Å; V11-I88 HydrophobicContact CG2-CG1 4.38Å
12	G	84.3	Confident	74.6	Confident	14 Å²	14	57.5 Å²	57.5	14%	0.144	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	173.8	-178.7	0	0	0	0	0	112	I14 G57 R87	G12-I14 PolarHBondContact O-N 2.95Å; G12-G57 CarbonylContact C-O 3.45Å; G12-R87 PolarHBondContact N-O 3.45Å; G12-R87 PolarHBondContact O-N 2.87Å
13	N	86.1	Confident	76.1	Confident	74 Å²	74	50.2 Å²	50.2	40%	0.396	28%	0.282	S	S	.	.	S	Bend	trans	58.6	30.8	-173.6	-165.2	35.8	0	0	0	113.2	G57 R84 G85 R87	N13-G57 PolarHBondContact N-O 3.2Å; N13-R84 PolarHBondContact OD1-NE 2.86Å; N13-R84 PolarHBondContact OD1-NH2 3.04Å; N13-G85 PolarHBondContact ND2-O 3.26Å; N13-R87 HydrophobicContact CB-CB 4.48Å
14	I	83	Confident	77.1	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	26%	0.26	C	S	.	.			trans	-75.6	131.3	176.3	-53.6	168.4	0	0	0	108	V11 G12 A18 L23 L46 G57 L86	V11-I14 HydrophobicContact CB-CD1 4.03Å; V11-I14 HydrophobicContact CG1-CD1 3.77Å; V11-I14 HydrophobicContact CG1-CG1 3.83Å; G12-I14 PolarHBondContact O-N 2.95Å; I14-A18 HydrophobicContact CG2-CB 3.31Å; I14-L23 HydrophobicContact CD1-CD1 3.94Å; I14-L23 HydrophobicContact CD1-CD2 4.19Å; I14-L23 HydrophobicContact CG1-CD2 4.31Å; I14-L23 HydrophobicContact CG2-CD1 4.12Å; I14-L23 HydrophobicContact CG2-CD2 4.07Å; I14-L23 HydrophobicContact CG2-CG 4.5Å; I14-L46 HydrophobicContact CB-CD2 4.39Å; I14-L46 HydrophobicContact CD1-CD2 3.57Å; I14-L46 HydrophobicContact CG2-CD2 4.05Å; I14-G57 PolarHBondContact N-O 3.34Å; I14-G57 WeakPolarHBondContact O-CA 3.4Å; I14-L86 HydrophobicContact CB-CD2 4.39Å; I14-L86 HydrophobicContact CG1-CD2 4Å
15	P	78.5	Confident	77.7	Confident	15 Å²	15	52.2 Å²	52.2	10%	0.097	28%	0.284	C	S	.	.			trans	-61.8	144.5	174.7	22	-27.7	0	0	0	110.8	D17 A18 F81 N82	P15-D17 PolarHBondContact O-N 2.99Å; P15-D17 VanDerWaalsContact O-N 3.11Å; P15-A18 HydrophobicContact CG-CB 4.12Å; P15-A18 WeakPolarHBondContact O-CB 3.18Å; P15-A18 PolarHBondContact O-N 3.41Å; P15-F81 HydrophobicContact CG-CD1 3.62Å; P15-F81 HydrophobicContact CG-CE1 3.69Å; P15-N82 HydrophobicContact CG-CB 4.25Å
16	Y	79.5	Confident	78.2	Confident	151 Å²	151	47.1 Å²	47.1	59%	0.592	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.6	-177.8	-61	-72.4	0	0	0	113.9	A18 S55	Y16-A18 VanDerWaalsContact C-N 3.32Å; Y16-S55 WeakPolarHBondContact CA-OG 3.37Å; Y16-S55 WeakPolarHBondContact CD1-O 3.41Å; Y16-S55 WeakPolarHBondContact CE1-O 3.36Å; Y16-S55 PolarHBondContact O-OG 3.36Å
17	D	79.2	Confident	78.2	Confident	136 Å²	136	45.1 Å²	45.1	73%	0.727	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-8.7	177	-150.6	-111.9	0	0	0	112.9	P15 T19	P15-D17 PolarHBondContact O-N 2.99Å; P15-D17 VanDerWaalsContact O-N 3.11Å; D17-T19 PolarHBondContact O-N 3.43Å
18	A	76.5	Confident	77.8	Confident	4 Å²	4	45.1 Å²	45.1	3%	0.033	25%	0.248	C	C	.	.			trans	-65.1	133.6	177.9	0	0	0	0	0	110.7	I14 P15 Y16 L46 F81	I14-A18 HydrophobicContact CG2-CB 3.31Å; P15-A18 HydrophobicContact CG-CB 4.12Å; P15-A18 WeakPolarHBondContact O-CB 3.18Å; P15-A18 PolarHBondContact O-N 3.41Å; Y16-A18 VanDerWaalsContact C-N 3.32Å; A18-L46 VanDerWaalsContact O-CD1 3.26Å; A18-L46 WeakPolarHBondContact O-CD1 3.49Å; A18-F81 HydrophobicContact CB-CD1 4.48Å; A18-F81 HydrophobicContact CB-CE1 3.61Å; A18-F81 HydrophobicContact CB-CZ 4.41Å
19	T	76.3	Confident	77	Confident	67 Å²	67	54.5 Å²	54.5	41%	0.411	28%	0.283	S	S	.	.			trans	-94.8	155.8	168.5	65.7	0	0	0	0	110.9	D17 A21 Q22 L23	D17-T19 PolarHBondContact O-N 3.43Å; T19-A21 PolarHBondContact O-N 3.36Å; T19-Q22 PolarHBondContact O-N 3.45Å; T19-Q22 WeakPolarHBondContact OG1-CG 3.42Å; T19-Q22 PolarHBondContact OG1-N 2.81Å; T19-L23 PolarHBondContact O-N 3.27Å; T19-L23 VanDerWaalsContact O-N 3.16Å
20	E	72.7	Confident	75.8	Confident	76 Å²	76	55.1 Å²	55.1	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-55.6	-40.6	172.4	-171.6	179	134	0	0	111.8	Q22 L23 S24 A44	E20-Q22 PolarHBondContact O-N 2.8Å; E20-L23 PolarHBondContact O-N 2.8Å; E20-S24 WeakPolarHBondContact O-CB 3.4Å; E20-S24 PolarHBondContact O-N 3.47Å; E20-A44 HydrophobicContact CG-CB 4.36Å; E20-A44 WeakPolarHBondContact CG-O 3.48Å
21	A	74.1	Confident	74.5	Confident	72 Å²	72	55.1 Å²	55.1	60%	0.595	29%	0.293	S	S	*	.	H	α-helix	trans	-59.1	-42.8	176.7	0	0	0	0	0	112.5	T19 S24 E25	T19-A21 PolarHBondContact O-N 3.36Å; A21-S24 PolarHBondContact O-N 3.14Å; A21-E25 WeakPolarHBondContact O-CB 3.47Å; A21-E25 PolarHBondContact O-N 3.22Å
22	Q	76.9	Confident	72.4	Confident	67 Å²	67	61.4 Å²	61.4	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-65.3	-42.7	176.9	-74.3	170	-16.6	0	0	111.8	T19 E20 E25 I26 F81	T19-Q22 PolarHBondContact O-N 3.45Å; T19-Q22 WeakPolarHBondContact OG1-CG 3.42Å; T19-Q22 PolarHBondContact OG1-N 2.81Å; E20-Q22 PolarHBondContact O-N 2.8Å; Q22-E25 PolarHBondContact O-N 2.69Å; Q22-I26 WeakPolarHBondContact O-CB 3.37Å; Q22-I26 VanDerWaalsContact O-CD1 3.27Å; Q22-I26 WeakPolarHBondContact O-CD1 3.23Å; Q22-I26 WeakPolarHBondContact O-CG1 3.26Å; Q22-I26 PolarHBondContact O-N 3.17Å; Q22-F81 HydrophobicContact CB-CE2 4.4Å; Q22-F81 HydrophobicContact CB-CZ 3.94Å; Q22-F81 HydrophobicContact CG-CZ 4.47Å
23	L	76.3	Confident	70.1	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-48.7	175.6	-70.9	163.3	0	0	0	110.6	I14 T19 E20 E25 I26 F27 L46 L86	I14-L23 HydrophobicContact CD1-CD1 3.94Å; I14-L23 HydrophobicContact CD1-CD2 4.19Å; I14-L23 HydrophobicContact CG1-CD2 4.31Å; I14-L23 HydrophobicContact CG2-CD1 4.12Å; I14-L23 HydrophobicContact CG2-CD2 4.07Å; I14-L23 HydrophobicContact CG2-CG 4.5Å; T19-L23 PolarHBondContact O-N 3.27Å; T19-L23 VanDerWaalsContact O-N 3.16Å; E20-L23 PolarHBondContact O-N 2.8Å; L23-E25 VanDerWaalsContact C-N 3.3Å; L23-E25 PolarHBondContact O-N 3.38Å; L23-I26 PolarHBondContact O-N 3.06Å; L23-I26 VanDerWaalsContact O-N 3.14Å; L23-F27 HydrophobicContact CB-CD2 4.24Å; L23-F27 HydrophobicContact CB-CE2 4.34Å; L23-F27 HydrophobicContact CD2-CE2 4.04Å; L23-F27 WeakPolarHBondContact O-CB 3.21Å; L23-F27 WeakPolarHBondContact O-CD2 3.37Å; L23-F27 PolarHBondContact O-N 3.38Å; L23-L46 HydrophobicContact CD1-CD1 3.94Å; L23-L46 HydrophobicContact CD1-CD2 3.62Å; L23-L46 HydrophobicContact CD1-CG 3.69Å; L23-L86 HydrophobicContact CD2-CD1 4.31Å
24	S	72.8	Confident	68	Low	38 Å²	38	68 Å²	68	27%	0.266	35%	0.354	S	S	.	.	H	α-helix	trans	-57.7	-43	178.2	-174.6	0	0	0	0	111.6	E20 A21 I26 F27 S28	E20-S24 WeakPolarHBondContact O-CB 3.4Å; E20-S24 PolarHBondContact O-N 3.47Å; A21-S24 PolarHBondContact O-N 3.14Å; S24-I26 PolarHBondContact O-N 2.92Å; S24-F27 PolarHBondContact O-N 3.16Å; S24-S28 WeakPolarHBondContact O-CB 3.5Å; S24-S28 PolarHBondContact O-N 3.22Å; S24-S28 PolarHBondContact O-OG 2.74Å
25	E	72.7	Confident	65.8	Low	119 Å²	119	72.1 Å²	72.1	56%	0.556	38%	0.383	S	S	*	.	H	α-helix	trans	-61.4	-45.8	175.2	-172.2	-176.3	167	0	0	111.7	A21 Q22 L23 S28 R29	A21-E25 WeakPolarHBondContact O-CB 3.47Å; A21-E25 PolarHBondContact O-N 3.22Å; Q22-E25 PolarHBondContact O-N 2.69Å; L23-E25 VanDerWaalsContact C-N 3.3Å; L23-E25 PolarHBondContact O-N 3.38Å; E25-S28 PolarHBondContact O-N 2.77Å; E25-R29 WeakPolarHBondContact O-CB 3.43Å; E25-R29 PolarHBondContact O-N 3.19Å
26	I	74.9	Confident	63.5	Low	32 Å²	32	79.2 Å²	79.2	16%	0.164	41%	0.413	C	S	.	.	H	α-helix	trans	-64.1	-46.3	179.3	-72.1	162.5	0	0	0	111.5	Q22 L23 S24 S28 R29 A30 M76 L79 F81	Q22-I26 WeakPolarHBondContact O-CB 3.37Å; Q22-I26 VanDerWaalsContact O-CD1 3.27Å; Q22-I26 WeakPolarHBondContact O-CD1 3.23Å; Q22-I26 WeakPolarHBondContact O-CG1 3.26Å; Q22-I26 PolarHBondContact O-N 3.17Å; L23-I26 PolarHBondContact O-N 3.06Å; L23-I26 VanDerWaalsContact O-N 3.14Å; S24-I26 PolarHBondContact O-N 2.92Å; I26-S28 VanDerWaalsContact C-N 3.29Å; I26-S28 PolarHBondContact O-N 3.48Å; I26-R29 CarbonylContact O-C 3.52Å; I26-R29 PolarHBondContact O-N 2.99Å; I26-A30 PolarHBondContact O-N 3.29Å; I26-M76 HydrophobicContact CG2-CE 3.43Å; I26-M76 VanDerWaalsContact CG2-CE 3.43Å; I26-M76 WeakPolarHBondContact O-CE 3.31Å; I26-L79 HydrophobicContact CG2-CD2 3.33Å; I26-F81 HydrophobicContact CD1-CB 4.48Å; I26-F81 HydrophobicContact CD1-CD2 3.08Å; I26-F81 HydrophobicContact CD1-CE2 3.27Å; I26-F81 HydrophobicContact CD1-CG 3.81Å; I26-F81 HydrophobicContact CD1-CZ 4.1Å; I26-F81 HydrophobicContact CG1-CD2 4.44Å
27	F	72.2	Confident	61.6	Low	0 Å²	0	78.2 Å²	78.2	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-69	-29.3	178.3	-76.3	-68.5	0	0	0	112.5	V11 L23 S24 A30 C41 C61 F63 M76 I88	V11-F27 HydrophobicContact CB-CE2 4.45Å; V11-F27 HydrophobicContact CB-CZ 4.15Å; V11-F27 HydrophobicContact CG1-CE2 4.05Å; V11-F27 HydrophobicContact CG1-CZ 3.71Å; V11-F27 HydrophobicContact CG2-CE1 4.12Å; V11-F27 HydrophobicContact CG2-CE2 3.75Å; V11-F27 HydrophobicContact CG2-CZ 3.31Å; L23-F27 HydrophobicContact CB-CD2 4.24Å; L23-F27 HydrophobicContact CB-CE2 4.34Å; L23-F27 HydrophobicContact CD2-CE2 4.04Å; L23-F27 WeakPolarHBondContact O-CB 3.21Å; L23-F27 WeakPolarHBondContact O-CD2 3.37Å; L23-F27 PolarHBondContact O-N 3.38Å; S24-F27 PolarHBondContact O-N 3.16Å; F27-A30 WeakPolarHBondContact O-CB 3.15Å; F27-C41 HydrophobicContact CB-CB 3.65Å; F27-C61 VanDerWaalsContact CD2-SG 3.55Å; F27-C61 VanDerWaalsContact CE2-SG 3.54Å; F27-F63 HydrophobicContact CB-CE1 4.49Å; F27-F63 AromaticContact CD1-CZ 3.88Å; F27-F63 HydrophobicContact CD1-CZ 3.88Å; F27-M76 HydrophobicContact CD1-CE 4.24Å; F27-M76 HydrophobicContact CE1-CE 4.45Å; F27-I88 HydrophobicContact CE1-CD1 3.55Å; F27-I88 HydrophobicContact CE1-CG1 4.22Å; F27-I88 HydrophobicContact CZ-CD1 3.86Å; F27-I88 HydrophobicContact CZ-CG1 4.17Å
28	S	68.1	Low	59.8	Low	41 Å²	41	80 Å²	80	29%	0.287	41%	0.406	S	S	.	.	H	α-helix	trans	-73.3	-32.8	171.3	-62	0	0	0	0	112.3	S24 E25 I26 V39	S24-S28 WeakPolarHBondContact O-CB 3.5Å; S24-S28 PolarHBondContact O-N 3.22Å; S24-S28 PolarHBondContact O-OG 2.74Å; E25-S28 PolarHBondContact O-N 2.77Å; I26-S28 VanDerWaalsContact C-N 3.29Å; I26-S28 PolarHBondContact O-N 3.48Å; S28-V39 WeakPolarHBondContact CA-O 3.38Å
29	R	63.9	Low	58.6	Low	200 Å²	200	79.9 Å²	79.9	76%	0.755	41%	0.405	S	S	*	.	H	α-helix	trans	-86	-8.1	179.5	-163.2	165.2	-179.9	172	-0.7	113.8	E25 I26 G31	E25-R29 WeakPolarHBondContact O-CB 3.43Å; E25-R29 PolarHBondContact O-N 3.19Å; I26-R29 CarbonylContact O-C 3.52Å; I26-R29 PolarHBondContact O-N 2.99Å; R29-G31 WeakPolarHBondContact O-CA 3.36Å; R29-G31 PolarHBondContact O-N 3.23Å
30	A	59.5	Low	57.6	Low	14 Å²	14	82.4 Å²	82.4	12%	0.116	41%	0.41	C	S	.	.	S	Bend	trans	-50.4	-1	-179.2	0	0	0	0	0	117.5	I26 F27 V39 M76	I26-A30 PolarHBondContact O-N 3.29Å; F27-A30 WeakPolarHBondContact O-CB 3.15Å; A30-V39 HydrophobicContact CB-CB 4.32Å; A30-V39 HydrophobicContact CB-CG1 4.15Å; A30-M76 WeakPolarHBondContact CA-SD 3.29Å; A30-M76 HydrophobicContact CB-CE 3.62Å; A30-M76 HydrophobicContact CB-CG 3.5Å; A30-M76 VanDerWaalsContact CB-CG 3.5Å; A30-M76 HydrophobicContact CB-SD 3.18Å; A30-M76 WeakPolarHBondContact CB-SD 3.41Å
31	G	52.6	Low	56.9	Low	28 Å²	28	78.9 Å²	78.9	29%	0.289	39%	0.394	S	S	.	.			trans	100.5	116.3	154.8	0	0	0	0	0	112.4	R29 V33	R29-G31 WeakPolarHBondContact O-CA 3.36Å; R29-G31 PolarHBondContact O-N 3.23Å; G31-V33 VanDerWaalsContact C-N 3.27Å; G31-V33 PolarHBondContact O-N 3.44Å
32	Q	41.3	Very low	56	Low	133 Å²	133	77.4 Å²	77.4	62%	0.621	38%	0.376	S	S	*	.			trans	-5.5	78.4	134.5	-160.4	176	98.1	0	0	113.3
33	V	34.9	Very low	55.3	Low	41 Å²	41	76 Å²	76	25%	0.248	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-62	148.1	170.7	-178.4	0	0	0	0	106.4	G31 S35 F36 V39 N75	G31-V33 VanDerWaalsContact C-N 3.27Å; G31-V33 PolarHBondContact O-N 3.44Å; V33-S35 CarbonylContact O-C 3.55Å; V33-S35 WeakPolarHBondContact O-CA 3.03Å; V33-S35 PolarHBondContact O-N 3.22Å; V33-F36 PolarHBondContact O-N 3.4Å; V33-V39 HydrophobicContact CG2-CG2 4.21Å; V33-N75 WeakPolarHBondContact CG2-ND2 3.42Å
34	L	42.8	Very low	54.6	Low	185 Å²	185	76 Å²	76	97%	0.969	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.2	-6.7	-178.2	-72.6	165.4	0	0	0	117.5
35	S	35.1	Very low	54.3	Low	91 Å²	91	75.2 Å²	75.2	64%	0.636	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.1	69.7	168.6	-169.1	0	0	0	0	111.3	V33 R37	V33-S35 CarbonylContact O-C 3.55Å; V33-S35 WeakPolarHBondContact O-CA 3.03Å; V33-S35 PolarHBondContact O-N 3.22Å; S35-R37 PolarHBondContact O-N 3.1Å
36	F	31.7	Very low	54.1	Low	165 Å²	165	69.7 Å²	69.7	72%	0.724	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	8	160.9	-72.6	-85	0	0	0	119.7	V33 Y38	V33-F36 PolarHBondContact O-N 3.4Å; F36-Y38 PolarHBondContact O-N 3.19Å
37	R	39.9	Very low	54	Low	129 Å²	129	69.7 Å²	69.7	49%	0.487	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-89.1	109.2	178.5	-70	-153.2	-171.6	-174.8	13.1	108.3	S35 V39 D65 E67	S35-R37 PolarHBondContact O-N 3.1Å; R37-V39 PolarHBondContact O-N 2.95Å; R37-D65 IonicContact NH1-OD2 3.48Å; R37-E67 IonicContact NH1-OE2 3.58Å; R37-E67 IonicContact NH2-OE2 3.67Å
38	Y	41.1	Very low	54	Low	173 Å²	173	75.3 Å²	75.3	68%	0.678	36%	0.36	S	S	*	.			trans	-58.8	125.8	162.2	-68.6	-89.2	0	0	0	107.9	F36 F40	F36-Y38 PolarHBondContact O-N 3.19Å; Y38-F40 PolarHBondContact O-N 2.91Å
39	V	50.4	Low	54.1	Low	3 Å²	3	75.7 Å²	75.7	2%	0.018	36%	0.359	C	S	.	.			trans	-80.3	99.2	172.1	174.4	0	0	0	0	106	S28 A30 V33 R37 F63 T68 A72	S28-V39 WeakPolarHBondContact CA-O 3.38Å; A30-V39 HydrophobicContact CB-CB 4.32Å; A30-V39 HydrophobicContact CB-CG1 4.15Å; V33-V39 HydrophobicContact CG2-CG2 4.21Å; R37-V39 PolarHBondContact O-N 2.95Å; V39-F63 HydrophobicContact CG1-CD1 3.78Å; V39-F63 HydrophobicContact CG1-CE1 3.43Å; V39-F63 VanDerWaalsContact CG1-CE1 3.43Å; V39-F63 HydrophobicContact CG1-CZ 4.36Å; V39-T68 HydrophobicContact CB-CG2 4.14Å; V39-T68 HydrophobicContact CG1-CG2 3.88Å; V39-T68 HydrophobicContact CG2-CG2 4.19Å; V39-A72 HydrophobicContact CG1-CB 3.71Å
40	F	54.9	Low	54.2	Low	119 Å²	119	78.3 Å²	78.3	52%	0.522	37%	0.368	S	S	.	.			trans	-96.9	118.7	176.7	-164.7	-100.6	0	0	0	109.3	Y38 L42 F63	Y38-F40 PolarHBondContact O-N 2.91Å; F40-L42 PolarHBondContact O-N 3.31Å; F40-F63 WeakPolarHBondContact O-CD1 3.26Å
41	C	58.3	Low	54.4	Low	2 Å²	2	86.5 Å²	86.5	1%	0.014	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	116	168.2	-165.4	0	0	0	0	106.8	F27 N43 E62 F63	F27-C41 HydrophobicContact CB-CB 3.65Å; C41-N43 PolarHBondContact SG-O 3.29Å; C41-E62 CarbonylContact C-O 3.58Å; C41-F63 HydrophobicContact CB-CD1 4.5Å; C41-F63 HydrophobicContact CB-CE1 4.2Å
42	L	56.3	Low	55.3	Low	41 Å²	41	89.5 Å²	89.5	22%	0.215	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	-47.8	177.1	-167.6	70.6	0	0	0	109	F40 E62	F40-L42 PolarHBondContact O-N 3.31Å; L42-E62 PolarHBondContact N-O 3.35Å
43	N	61.7	Low	56.5	Low	39 Å²	39	85.9 Å²	85.9	21%	0.209	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	143.8	-174.9	-63.9	-56.8	0	0	0	110.6	C41 C61 E62 M107	C41-N43 PolarHBondContact SG-O 3.29Å; N43-C61 CarbonylContact O-C 3.5Å; N43-C61 VanDerWaalsContact O-CA 3.29Å; N43-C61 WeakPolarHBondContact O-CA 3.31Å; N43-E62 HydrophobicContact CB-CB 4.33Å; N43-E62 PolarHBondContact N-O 3.49Å; N43-E62 PolarHBondContact O-N 3.33Å; N43-M107 HydrophobicContact CB-SD 3.56Å; N43-M107 VanDerWaalsContact CB-SD 3.56Å; N43-M107 PolarHBondContact OD1-SD 2.92Å
44	A	61.6	Low	58.1	Low	2 Å²	2	92.7 Å²	92.7	2%	0.017	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133	168.9	0	0	0	0	0	107.4	E20 F60 C61	E20-A44 HydrophobicContact CG-CB 4.36Å; E20-A44 WeakPolarHBondContact CG-O 3.48Å; A44-F60 CarbonylContact C-O 3.59Å; A44-F60 WeakPolarHBondContact CA-O 3.46Å; A44-C61 VanDerWaalsContact CB-SG 3.56Å
45	I	66.1	Low	59.5	Low	22 Å²	22	84.3 Å²	84.3	11%	0.113	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.7	174.4	-60.5	178.2	0	0	0	109	G59 F60 M103 M107	I45-G59 CarbonylContact O-C 3.55Å; I45-G59 WeakPolarHBondContact O-CA 3.46Å; I45-F60 PolarHBondContact N-O 3Å; I45-F60 PolarHBondContact O-N 3.4Å; I45-M103 HydrophobicContact CB-CE 3.69Å; I45-M103 HydrophobicContact CD1-CB 3.85Å; I45-M103 HydrophobicContact CD1-CE 3.87Å; I45-M103 HydrophobicContact CD1-CG 3.67Å; I45-M103 HydrophobicContact CG1-CE 3.76Å; I45-M107 HydrophobicContact CD1-CG 3.64Å; I45-M107 HydrophobicContact CD1-SD 3.92Å; I45-M107 HydrophobicContact CG1-SD 4.2Å
46	L	69.8	Low	61.4	Low	3 Å²	3	84.4 Å²	84.4	2%	0.016	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	129.6	168.1	-77.8	168.7	0	0	0	109.7	I14 A18 L23 Y48	I14-L46 HydrophobicContact CB-CD2 4.39Å; I14-L46 HydrophobicContact CD1-CD2 3.57Å; I14-L46 HydrophobicContact CG2-CD2 4.05Å; A18-L46 VanDerWaalsContact O-CD1 3.26Å; A18-L46 WeakPolarHBondContact O-CD1 3.49Å; L23-L46 HydrophobicContact CD1-CD1 3.94Å; L23-L46 HydrophobicContact CD1-CD2 3.62Å; L23-L46 HydrophobicContact CD1-CG 3.69Å; L46-Y48 HydrophobicContact CB-CD2 4.4Å; L46-Y48 HydrophobicContact CB-CE2 3.63Å; L46-Y48 WeakPolarHBondContact O-CD2 3.49Å; L46-Y48 WeakPolarHBondContact O-CE2 3.32Å; L46-Y48 PolarHBondContact O-N 3.5Å
47	M	71.3	Confident	63.7	Low	32 Å²	32	77 Å²	77	16%	0.158	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	118.2	175.5	-61.5	-57.5	-70.1	0	0	108.4	S55 K56 Y58 F60 E99	M47-S55 CarbonylContact O-C 3.57Å; M47-K56 WeakPolarHBondContact O-CB 3.46Å; M47-K56 PolarHBondContact O-N 3.17Å; M47-Y58 HydrophobicContact CB-CD2 4.24Å; M47-Y58 HydrophobicContact CB-CE1 4.48Å; M47-Y58 HydrophobicContact CB-CE2 3.83Å; M47-Y58 HydrophobicContact CG-CD2 3.93Å; M47-Y58 HydrophobicContact CG-CE2 3.52Å; M47-Y58 PolarHBondContact N-O 3.04Å; M47-F60 HydrophobicContact CG-CD2 4.19Å; M47-F60 HydrophobicContact CG-CE2 3.99Å; M47-F60 HydrophobicContact SD-CD2 4.17Å; M47-F60 HydrophobicContact SD-CE2 4.21Å; M47-E99 HydrophobicContact CE-CB 4.39Å; M47-E99 HydrophobicContact CE-CG 4.22Å
48	Y	72.5	Confident	65.8	Low	118 Å²	118	74 Å²	74	46%	0.463	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	142.2	176	-62.9	-91.3	0	0	0	110.7	L46	L46-Y48 HydrophobicContact CB-CD2 4.4Å; L46-Y48 HydrophobicContact CB-CE2 3.63Å; L46-Y48 WeakPolarHBondContact O-CD2 3.49Å; L46-Y48 WeakPolarHBondContact O-CE2 3.32Å; L46-Y48 PolarHBondContact O-N 3.5Å
49	D	70.3	Confident	67.9	Low	50 Å²	50	65.9 Å²	65.9	27%	0.267	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-72.2	124	168	-174.6	-71.3	0	0	0	109.1	E51 T52 G53 R54 K56	D49-E51 VanDerWaalsContact C-N 3.26Å; D49-E51 PolarHBondContact O-N 3.27Å; D49-E51 PolarHBondContact OD1-N 3.06Å; D49-T52 WeakPolarHBondContact CB-OG1 3.5Å; D49-T52 PolarHBondContact OD1-N 3.05Å; D49-T52 PolarHBondContact OD1-OG1 3.28Å; D49-G53 VanDerWaalsContact O-CA 3.28Å; D49-G53 WeakPolarHBondContact O-CA 3.39Å; D49-G53 PolarHBondContact O-N 3.32Å; D49-R54 WeakPolarHBondContact CB-O 3.46Å; D49-R54 PolarHBondContact N-O 2.87Å; D49-K56 HydrophobicContact CB-CG 4.21Å
50	R	66	Low	69.5	Low	254 Å²	254	65.9 Å²	65.9	96%	0.958	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.8	-171.8	-144.3	-178.2	-171.5	-153.8	2.7	113
51	E	63.5	Low	70.8	Confident	187 Å²	187	60.4 Å²	60.4	87%	0.874	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-37.3	-178.5	-61.9	-169.8	97.8	0	0	111.6	D49	D49-E51 VanDerWaalsContact C-N 3.26Å; D49-E51 PolarHBondContact O-N 3.27Å; D49-E51 PolarHBondContact OD1-N 3.06Å
52	T	71.1	Confident	71.7	Confident	91 Å²	91	61.2 Å²	61.2	56%	0.558	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-13.4	-176.8	64.1	0	0	0	0	114.2	D49 R54	D49-T52 WeakPolarHBondContact CB-OG1 3.5Å; D49-T52 PolarHBondContact OD1-N 3.05Å; D49-T52 PolarHBondContact OD1-OG1 3.28Å; T52-R54 PolarHBondContact O-N 3.29Å; T52-R54 VanDerWaalsContact O-N 3.11Å; T52-R54 PolarHBondContact OG1-N 3.11Å
53	G	66.5	Low	72.8	Confident	56 Å²	56	59.3 Å²	59.3	58%	0.577	28%	0.28	S	S	*	.			trans	65.3	5.1	-172.6	0	0	0	0	0	113.9	D49	D49-G53 VanDerWaalsContact O-CA 3.28Å; D49-G53 WeakPolarHBondContact O-CA 3.39Å; D49-G53 PolarHBondContact O-N 3.32Å
54	R	69	Low	73.2	Confident	185 Å²	185	59.3 Å²	59.3	70%	0.698	28%	0.283	S	S	*	.			trans	-86.1	143.9	179.7	-64.9	-171.9	-170.9	-175.1	3.5	110.2	D49 T52	D49-R54 WeakPolarHBondContact CB-O 3.46Å; D49-R54 PolarHBondContact N-O 2.87Å; T52-R54 PolarHBondContact O-N 3.29Å; T52-R54 VanDerWaalsContact O-N 3.11Å; T52-R54 PolarHBondContact OG1-N 3.11Å
55	S	72	Confident	73.7	Confident	8 Å²	8	61.3 Å²	61.3	6%	0.056	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	141.2	170.8	50.1	0	0	0	0	109.5	Y16 M47 G57	Y16-S55 WeakPolarHBondContact CA-OG 3.37Å; Y16-S55 WeakPolarHBondContact CD1-O 3.41Å; Y16-S55 WeakPolarHBondContact CE1-O 3.36Å; Y16-S55 PolarHBondContact O-OG 3.36Å; M47-S55 CarbonylContact O-C 3.57Å; S55-G57 PolarHBondContact O-N 3.02Å
56	K	76.4	Confident	74.2	Confident	94 Å²	94	65.4 Å²	65.4	41%	0.409	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	2.4	177.3	-66.8	-173.5	-179.9	176.9	0	112.7	M47 D49 Y58	M47-K56 WeakPolarHBondContact O-CB 3.46Å; M47-K56 PolarHBondContact O-N 3.17Å; D49-K56 HydrophobicContact CB-CG 4.21Å; K56-Y58 HydrophobicContact CB-CD1 3.5Å; K56-Y58 HydrophobicContact CB-CE1 3.34Å; K56-Y58 HydrophobicContact CD-CD1 4.44Å; K56-Y58 HydrophobicContact CD-CE1 3.44Å; K56-Y58 VanDerWaalsContact CD-CE1 3.44Å; K56-Y58 HydrophobicContact CG-CE1 4.04Å; K56-Y58 PolarHBondContact O-N 3.5Å
57	G	79.6	Confident	74.4	Confident	9 Å²	9	71.2 Å²	71.2	9%	0.093	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70	15.4	-174.4	0	0	0	0	0	113.8	G12 N13 I14 S55	G12-G57 CarbonylContact C-O 3.45Å; N13-G57 PolarHBondContact N-O 3.2Å; I14-G57 PolarHBondContact N-O 3.34Å; I14-G57 WeakPolarHBondContact O-CA 3.4Å; S55-G57 PolarHBondContact O-N 3.02Å
58	Y	83.6	Confident	74.6	Confident	65 Å²	65	70 Å²	70	26%	0.255	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	158.3	169.5	75.4	-89.3	0	0	0	111	V11 M47 K56 F60 E99	V11-Y58 CarbonylContact O-C 3.59Å; V11-Y58 WeakPolarHBondContact O-CA 3.42Å; V11-Y58 WeakPolarHBondContact O-CB 3.5Å; M47-Y58 HydrophobicContact CB-CD2 4.24Å; M47-Y58 HydrophobicContact CB-CE1 4.48Å; M47-Y58 HydrophobicContact CB-CE2 3.83Å; M47-Y58 HydrophobicContact CG-CD2 3.93Å; M47-Y58 HydrophobicContact CG-CE2 3.52Å; M47-Y58 PolarHBondContact N-O 3.04Å; K56-Y58 HydrophobicContact CB-CD1 3.5Å; K56-Y58 HydrophobicContact CB-CE1 3.34Å; K56-Y58 HydrophobicContact CD-CD1 4.44Å; K56-Y58 HydrophobicContact CD-CE1 3.44Å; K56-Y58 VanDerWaalsContact CD-CE1 3.44Å; K56-Y58 HydrophobicContact CG-CE1 4.04Å; K56-Y58 PolarHBondContact O-N 3.5Å; Y58-F60 HydrophobicContact CD2-CE2 4.32Å; Y58-F60 HydrophobicContact CD2-CZ 4.38Å; Y58-F60 HydrophobicContact CE2-CE2 4.06Å; Y58-F60 HydrophobicContact CE2-CZ 4.22Å; Y58-E99 PolarHBondContact OH-OE1 3.48Å
59	G	84.3	Confident	74.8	Confident	3 Å²	3	64.4 Å²	64.4	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	178.2	-177.9	0	0	0	0	0	110.8	V11 I45	V11-G59 PolarHBondContact N-O 2.98Å; V11-G59 PolarHBondContact O-N 3.49Å; V11-G59 VanDerWaalsContact O-O 3.12Å; I45-G59 CarbonylContact O-C 3.55Å; I45-G59 WeakPolarHBondContact O-CA 3.46Å
60	F	84.8	Confident	75.2	Confident	4 Å²	4	63 Å²	63	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145	174.6	-59.3	-79.6	0	0	0	108.8	V8 V9 A44 I45 M47 Y58 A91 T96 E99 I100 M103	V8-F60 HydrophobicContact CG1-CB 4.09Å; V9-F60 CarbonylContact O-C 3.56Å; V9-F60 WeakPolarHBondContact O-CA 3.29Å; A44-F60 CarbonylContact C-O 3.59Å; A44-F60 WeakPolarHBondContact CA-O 3.46Å; I45-F60 PolarHBondContact N-O 3Å; I45-F60 PolarHBondContact O-N 3.4Å; M47-F60 HydrophobicContact CG-CD2 4.19Å; M47-F60 HydrophobicContact CG-CE2 3.99Å; M47-F60 HydrophobicContact SD-CD2 4.17Å; M47-F60 HydrophobicContact SD-CE2 4.21Å; Y58-F60 HydrophobicContact CD2-CE2 4.32Å; Y58-F60 HydrophobicContact CD2-CZ 4.38Å; Y58-F60 HydrophobicContact CE2-CE2 4.06Å; Y58-F60 HydrophobicContact CE2-CZ 4.22Å; F60-A91 HydrophobicContact CD1-CB 4.47Å; F60-T96 HydrophobicContact CD1-CG2 3.95Å; F60-T96 HydrophobicContact CE1-CG2 3.26Å; F60-T96 HydrophobicContact CZ-CG2 3.87Å; F60-E99 HydrophobicContact CD2-CB 4.47Å; F60-E99 HydrophobicContact CE2-CB 3.69Å; F60-E99 HydrophobicContact CE2-CG 4.42Å; F60-E99 HydrophobicContact CZ-CB 4.12Å; F60-E99 WeakPolarHBondContact CZ-OE2 3.29Å; F60-I100 HydrophobicContact CD1-CG1 4.4Å; F60-M103 HydrophobicContact CB-CE 3.44Å; F60-M103 VanDerWaalsContact CB-CE 3.44Å; F60-M103 HydrophobicContact CB-SD 4.13Å; F60-M103 VanDerWaalsContact O-CE 3.31Å; F60-M103 WeakPolarHBondContact O-CE 3.35Å
61	C	81.5	Confident	75.7	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.02	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.7	175.6	-65.2	0	0	0	0	108.6	V8 V9 V11 F27 N43 A44 F63	V8-C61 CarbonylContact C-O 3.42Å; V8-C61 WeakPolarHBondContact CA-O 3.38Å; V9-C61 HydrophobicContact CG2-CB 3.79Å; V9-C61 PolarHBondContact N-O 3.42Å; V9-C61 PolarHBondContact O-N 3.45Å; V11-C61 HydrophobicContact CG2-CB 4.24Å; F27-C61 VanDerWaalsContact CD2-SG 3.55Å; F27-C61 VanDerWaalsContact CE2-SG 3.54Å; N43-C61 CarbonylContact O-C 3.5Å; N43-C61 VanDerWaalsContact O-CA 3.29Å; N43-C61 WeakPolarHBondContact O-CA 3.31Å; A44-C61 VanDerWaalsContact CB-SG 3.56Å; C61-F63 HydrophobicContact CB-CE2 4.47Å
62	E	78.2	Confident	76.3	Confident	20 Å²	20	43.9 Å²	43.9	9%	0.093	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.6	175.1	-178	167.8	-141.5	0	0	109.9	N7 V8 C41 L42 N43 H104	N7-E62 VanDerWaalsContact ND2-CG 3.29Å; N7-E62 WeakPolarHBondContact ND2-CG 3.48Å; N7-E62 PolarHBondContact ND2-OE1 3.25Å; V8-E62 HydrophobicContact CG2-CB 4.21Å; V8-E62 HydrophobicContact CG2-CG 4.1Å; C41-E62 CarbonylContact C-O 3.58Å; L42-E62 PolarHBondContact N-O 3.35Å; N43-E62 HydrophobicContact CB-CB 4.33Å; N43-E62 PolarHBondContact N-O 3.49Å; N43-E62 PolarHBondContact O-N 3.33Å; E62-H104 IonicContact OE1-CE1 3.81Å; E62-H104 IonicContact OE1-NE2 3.93Å; E62-H104 PolarHBondContact OE1-NE2 3.48Å; E62-H104 IonicContact OE2-NE2 2.74Å
63	F	78.9	Confident	76.7	Confident	1 Å²	1	40.7 Å²	40.7	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	159.9	173	-64.1	-82.5	0	0	0	111.2	N7 V9 F27 V39 F40 C41 C61 D65 T68 A69 A72	N7-F63 WeakPolarHBondContact CB-O 3.38Å; N7-F63 PolarHBondContact ND2-O 2.94Å; N7-F63 PolarHBondContact O-N 2.91Å; V9-F63 HydrophobicContact CB-CE2 4.2Å; V9-F63 HydrophobicContact CG1-CD2 4.06Å; V9-F63 HydrophobicContact CG1-CE2 3.68Å; V9-F63 HydrophobicContact CG2-CD2 4.33Å; V9-F63 HydrophobicContact CG2-CE2 3.48Å; V9-F63 VanDerWaalsContact CG2-CE2 3.48Å; V9-F63 HydrophobicContact CG2-CZ 4.28Å; F27-F63 HydrophobicContact CB-CE1 4.49Å; F27-F63 AromaticContact CD1-CZ 3.88Å; F27-F63 HydrophobicContact CD1-CZ 3.88Å; V39-F63 HydrophobicContact CG1-CD1 3.78Å; V39-F63 HydrophobicContact CG1-CE1 3.43Å; V39-F63 VanDerWaalsContact CG1-CE1 3.43Å; V39-F63 HydrophobicContact CG1-CZ 4.36Å; F40-F63 WeakPolarHBondContact O-CD1 3.26Å; C41-F63 HydrophobicContact CB-CD1 4.5Å; C41-F63 HydrophobicContact CB-CE1 4.2Å; C61-F63 HydrophobicContact CB-CE2 4.47Å; F63-D65 PolarHBondContact O-N 2.93Å; F63-T68 HydrophobicContact CB-CG2 4.24Å; F63-T68 HydrophobicContact CD1-CG2 4.11Å; F63-T68 HydrophobicContact CG-CG2 4.46Å; F63-A69 HydrophobicContact CB-CB 4.07Å; F63-A69 HydrophobicContact CD2-CB 3.61Å; F63-A69 HydrophobicContact CE2-CB 4.43Å; F63-A69 HydrophobicContact CG-CB 4.14Å; F63-A72 HydrophobicContact CD1-CB 4.38Å; F63-A72 HydrophobicContact CD2-CB 4.45Å; F63-A72 HydrophobicContact CE1-CB 3.7Å; F63-A72 HydrophobicContact CE2-CB 3.71Å; F63-A72 HydrophobicContact CZ-CB 3.31Å
64	C	69.6	Low	77.2	Confident	39 Å²	39	46.4 Å²	46.4	26%	0.264	22%	0.215	S	C	.	.	S	Bend	trans	-52.4	-47.7	173.3	166	0	0	0	0	113.2	C121	C64-C121 HydrophobicContact CB-CB 3.78Å; C64-C121 WeakPolarHBondContact SG-CB 3.29Å
65	D	72.3	Confident	77.5	Confident	44 Å²	44	41.3 Å²	41.3	24%	0.235	20%	0.201	C	C	.	.			trans	-131	154.6	-177	-55.3	-78.4	0	0	0	111.5	R37 F63 E67 T68 A69	R37-D65 IonicContact NH1-OD2 3.48Å; F63-D65 PolarHBondContact O-N 2.93Å; D65-E67 PolarHBondContact O-N 3.3Å; D65-T68 WeakPolarHBondContact O-CB 3.5Å; D65-T68 PolarHBondContact O-N 3.22Å; D65-T68 VanDerWaalsContact O-N 3.12Å; D65-T68 PolarHBondContact OD2-OG1 2.81Å; D65-A69 PolarHBondContact O-N 3.47Å
66	K	76.2	Confident	77.6	Confident	108 Å²	108	41.1 Å²	41.1	47%	0.47	20%	0.199	S	C	.	.	H	α-helix	trans	-60.1	-34.5	170.3	-52.4	-176.8	-173.2	-167.4	0	112	L5 N7 A70	L5-K66 WeakPolarHBondContact O-CD 3.33Å; L5-K66 WeakPolarHBondContact O-CE 3.27Å; L5-K66 PolarHBondContact O-NZ 3.1Å; N7-K66 HydrophobicContact CB-CG 4.17Å; K66-A70 VanDerWaalsContact O-CB 3.3Å; K66-A70 WeakPolarHBondContact O-CB 3.45Å; K66-A70 PolarHBondContact O-N 3.03Å
67	E	75.2	Confident	77.5	Confident	125 Å²	125	42.3 Å²	42.3	58%	0.584	21%	0.205	S	C	*	.	H	α-helix	trans	-67.4	-40.5	175.6	-61.9	-169.8	99.4	0	0	111.6	R37 D65 A70 S71	R37-E67 IonicContact NH1-OE2 3.58Å; R37-E67 IonicContact NH2-OE2 3.67Å; D65-E67 PolarHBondContact O-N 3.3Å; E67-A70 PolarHBondContact O-N 2.95Å; E67-S71 WeakPolarHBondContact O-CB 3.43Å; E67-S71 PolarHBondContact O-N 3.25Å; E67-S71 PolarHBondContact O-OG 3.11Å
68	T	74.3	Confident	77.2	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.043	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-44.1	175.7	-58.1	0	0	0	0	110.3	V39 F63 D65 A70 S71 A72	V39-T68 HydrophobicContact CB-CG2 4.14Å; V39-T68 HydrophobicContact CG1-CG2 3.88Å; V39-T68 HydrophobicContact CG2-CG2 4.19Å; F63-T68 HydrophobicContact CB-CG2 4.24Å; F63-T68 HydrophobicContact CD1-CG2 4.11Å; F63-T68 HydrophobicContact CG-CG2 4.46Å; D65-T68 WeakPolarHBondContact O-CB 3.5Å; D65-T68 PolarHBondContact O-N 3.22Å; D65-T68 VanDerWaalsContact O-N 3.12Å; D65-T68 PolarHBondContact OD2-OG1 2.81Å; T68-A70 PolarHBondContact O-N 3.01Å; T68-S71 WeakPolarHBondContact O-CB 3.37Å; T68-S71 PolarHBondContact O-N 2.87Å; T68-A72 WeakPolarHBondContact O-CB 3.22Å; T68-A72 PolarHBondContact O-N 3.18Å
69	A	77	Confident	76.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-43	173	0	0	0	0	0	112.5	L4 V9 F63 D65 S71 A72 L73	L4-A69 HydrophobicContact CD1-CB 3.97Å; V9-A69 HydrophobicContact CG1-CB 4.12Å; F63-A69 HydrophobicContact CB-CB 4.07Å; F63-A69 HydrophobicContact CD2-CB 3.61Å; F63-A69 HydrophobicContact CE2-CB 4.43Å; F63-A69 HydrophobicContact CG-CB 4.14Å; D65-A69 PolarHBondContact O-N 3.47Å; A69-S71 VanDerWaalsContact C-N 3.3Å; A69-S71 PolarHBondContact O-N 2.81Å; A69-A72 PolarHBondContact O-N 2.87Å; A69-L73 VanDerWaalsContact O-CB 3.29Å; A69-L73 WeakPolarHBondContact O-CB 3.5Å; A69-L73 PolarHBondContact O-N 2.82Å
70	A	79.6	Confident	76.5	Confident	20 Å²	20	53.9 Å²	53.9	17%	0.165	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-36.5	177.5	0	0	0	0	0	112	L4 K66 E67 T68 R74	L4-A70 HydrophobicContact CD1-CB 4.05Å; L4-A70 HydrophobicContact CG-CB 3.83Å; K66-A70 VanDerWaalsContact O-CB 3.3Å; K66-A70 WeakPolarHBondContact O-CB 3.45Å; K66-A70 PolarHBondContact O-N 3.03Å; E67-A70 PolarHBondContact O-N 2.95Å; T68-A70 PolarHBondContact O-N 3.01Å; A70-R74 PolarHBondContact O-N 3.34Å; A70-R74 VanDerWaalsContact O-N 3.15Å
71	S	76.1	Confident	76.1	Confident	39 Å²	39	54.7 Å²	54.7	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-69.4	-46.3	175.6	-62.2	0	0	0	0	111.2	E67 T68 A69 L73 R74 N75	E67-S71 WeakPolarHBondContact O-CB 3.43Å; E67-S71 PolarHBondContact O-N 3.25Å; E67-S71 PolarHBondContact O-OG 3.11Å; T68-S71 WeakPolarHBondContact O-CB 3.37Å; T68-S71 PolarHBondContact O-N 2.87Å; A69-S71 VanDerWaalsContact C-N 3.3Å; A69-S71 PolarHBondContact O-N 2.81Å; S71-L73 PolarHBondContact O-N 3.01Å; S71-R74 PolarHBondContact O-N 3.45Å; S71-R74 VanDerWaalsContact O-N 3.13Å; S71-N75 WeakPolarHBondContact O-CB 3.29Å; S71-N75 VanDerWaalsContact O-CG 3.3Å; S71-N75 PolarHBondContact O-N 3.03Å; S71-N75 PolarHBondContact O-ND2 3.2Å
72	A	75.6	Confident	75.8	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-47.3	173.9	0	0	0	0	0	111	V39 F63 T68 A69 R74 N75 M76	V39-A72 HydrophobicContact CG1-CB 3.71Å; F63-A72 HydrophobicContact CD1-CB 4.38Å; F63-A72 HydrophobicContact CD2-CB 4.45Å; F63-A72 HydrophobicContact CE1-CB 3.7Å; F63-A72 HydrophobicContact CE2-CB 3.71Å; F63-A72 HydrophobicContact CZ-CB 3.31Å; T68-A72 WeakPolarHBondContact O-CB 3.22Å; T68-A72 PolarHBondContact O-N 3.18Å; A69-A72 PolarHBondContact O-N 2.87Å; A72-R74 PolarHBondContact O-N 2.7Å; A72-N75 PolarHBondContact O-N 3.22Å; A72-M76 WeakPolarHBondContact O-CA 3.48Å; A72-M76 WeakPolarHBondContact O-CB 3.41Å; A72-M76 WeakPolarHBondContact O-CG 3.4Å; A72-M76 PolarHBondContact O-N 3.26Å
73	L	79.3	Confident	75.8	Confident	23 Å²	23	61.7 Å²	61.7	12%	0.12	32%	0.32	C	S	.	.	H	α-helix	trans	-57.2	-36.8	176.5	-178.2	67.8	0	0	0	111.9	L4 A69 S71 K77 I88 A90	L4-L73 HydrophobicContact CD1-CB 4.43Å; L4-L73 HydrophobicContact CD1-CD2 4.09Å; L4-L73 HydrophobicContact CD2-CD2 3.86Å; L4-L73 HydrophobicContact CG-CD2 4.49Å; A69-L73 VanDerWaalsContact O-CB 3.29Å; A69-L73 WeakPolarHBondContact O-CB 3.5Å; A69-L73 PolarHBondContact O-N 2.82Å; S71-L73 PolarHBondContact O-N 3.01Å; L73-K77 WeakPolarHBondContact O-CB 3.36Å; L73-I88 VanDerWaalsContact CD1-C 3.49Å; L73-I88 HydrophobicContact CD1-CB 4.19Å; L73-I88 HydrophobicContact CD1-CG2 3.68Å; L73-I88 WeakPolarHBondContact CD1-O 3.43Å; L73-A90 HydrophobicContact CD2-CB 4.19Å
74	R	77.3	Confident	75.8	Confident	177 Å²	177	67.1 Å²	67.1	67%	0.668	34%	0.341	S	S	*	.	H	α-helix	trans	-75.1	-43.8	178.6	-170.7	-178.9	-60.4	177.4	8.7	112.4	A70 S71 A72	A70-R74 PolarHBondContact O-N 3.34Å; A70-R74 VanDerWaalsContact O-N 3.15Å; S71-R74 PolarHBondContact O-N 3.45Å; S71-R74 VanDerWaalsContact O-N 3.13Å; A72-R74 PolarHBondContact O-N 2.7Å
75	N	74.9	Confident	76.3	Confident	77 Å²	77	66.6 Å²	66.6	41%	0.412	34%	0.342	S	S	.	.	H	α-helix	trans	-82.3	-31.6	-172.5	-64.5	-18.5	0	0	0	112.7	V33 S71 A72	V33-N75 WeakPolarHBondContact CG2-ND2 3.42Å; S71-N75 WeakPolarHBondContact O-CB 3.29Å; S71-N75 VanDerWaalsContact O-CG 3.3Å; S71-N75 PolarHBondContact O-N 3.03Å; S71-N75 PolarHBondContact O-ND2 3.2Å; A72-N75 PolarHBondContact O-N 3.22Å
76	M	75.3	Confident	76.9	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.02	33%	0.331	C	S	.	.	H	α-helix	trans	-97.6	-6.6	-173.7	-59.3	-65.6	-80.5	0	0	112.9	I26 F27 A30 A72 N78 L79 I88	I26-M76 HydrophobicContact CG2-CE 3.43Å; I26-M76 VanDerWaalsContact CG2-CE 3.43Å; I26-M76 WeakPolarHBondContact O-CE 3.31Å; F27-M76 HydrophobicContact CD1-CE 4.24Å; F27-M76 HydrophobicContact CE1-CE 4.45Å; A30-M76 WeakPolarHBondContact CA-SD 3.29Å; A30-M76 HydrophobicContact CB-CE 3.62Å; A30-M76 HydrophobicContact CB-CG 3.5Å; A30-M76 VanDerWaalsContact CB-CG 3.5Å; A30-M76 HydrophobicContact CB-SD 3.18Å; A30-M76 WeakPolarHBondContact CB-SD 3.41Å; A72-M76 WeakPolarHBondContact O-CA 3.48Å; A72-M76 WeakPolarHBondContact O-CB 3.41Å; A72-M76 WeakPolarHBondContact O-CG 3.4Å; A72-M76 PolarHBondContact O-N 3.26Å; M76-N78 PolarHBondContact O-N 3.33Å; M76-N78 VanDerWaalsContact O-N 3.15Å; M76-L79 HydrophobicContact CE-CB 4.46Å; M76-L79 HydrophobicContact CE-CD1 3.84Å; M76-L79 HydrophobicContact CE-CD2 3.81Å; M76-L79 HydrophobicContact CE-CG 4.24Å; M76-L79 WeakPolarHBondContact O-CB 3.27Å; M76-L79 PolarHBondContact O-N 3.35Å; M76-L79 HydrophobicContact SD-CD1 3.77Å; M76-I88 HydrophobicContact CB-CD1 3.22Å; M76-I88 HydrophobicContact CG-CD1 4.45Å; M76-I88 WeakPolarHBondContact O-CD1 3.49Å
77	K	74.5	Confident	77.3	Confident	120 Å²	120	67.1 Å²	67.1	52%	0.522	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	124.3	-180	-165.4	169.1	-174.9	171.9	0	110.1	L73 L79	L73-K77 WeakPolarHBondContact O-CB 3.36Å; K77-L79 VanDerWaalsContact C-N 3.25Å; K77-L79 PolarHBondContact O-N 3.06Å
78	N	72.7	Confident	77.7	Confident	111 Å²	111	61.2 Å²	61.2	59%	0.594	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	25.4	-176.2	-51	-42.5	0	0	0	114.2	M76 E80 L86	M76-N78 PolarHBondContact O-N 3.33Å; M76-N78 VanDerWaalsContact O-N 3.15Å; N78-E80 PolarHBondContact O-N 2.64Å; N78-L86 WeakPolarHBondContact CA-O 3.32Å; N78-L86 PolarHBondContact N-O 3.23Å
79	L	75.1	Confident	78.2	Confident	57 Å²	57	63.4 Å²	63.4	30%	0.298	32%	0.322	S	S	.	.			trans	-59.4	126	170.8	-175.7	111.8	0	0	0	109.5	I26 M76 K77 F81 L86	I26-L79 HydrophobicContact CG2-CD2 3.33Å; M76-L79 HydrophobicContact CE-CB 4.46Å; M76-L79 HydrophobicContact CE-CD1 3.84Å; M76-L79 HydrophobicContact CE-CD2 3.81Å; M76-L79 HydrophobicContact CE-CG 4.24Å; M76-L79 WeakPolarHBondContact O-CB 3.27Å; M76-L79 PolarHBondContact O-N 3.35Å; M76-L79 HydrophobicContact SD-CD1 3.77Å; K77-L79 VanDerWaalsContact C-N 3.25Å; K77-L79 PolarHBondContact O-N 3.06Å; L79-F81 PolarHBondContact O-N 3.16Å; L79-L86 HydrophobicContact CD2-CD1 4.22Å; L79-L86 WeakPolarHBondContact O-CB 3.45Å; L79-L86 PolarHBondContact O-N 3.23Å
80	E	77.5	Confident	78.5	Confident	152 Å²	152	64.8 Å²	64.8	71%	0.71	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	122	177.6	-68.5	-178.1	85.8	0	0	110.8	N78	N78-E80 PolarHBondContact O-N 2.64Å
81	F	76.3	Confident	78.5	Confident	20 Å²	20	64 Å²	64	9%	0.088	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.9	173.2	179.5	-115.7	0	0	0	109.9	P15 A18 Q22 I26 L79 G83 R84 L86	P15-F81 HydrophobicContact CG-CD1 3.62Å; P15-F81 HydrophobicContact CG-CE1 3.69Å; A18-F81 HydrophobicContact CB-CD1 4.48Å; A18-F81 HydrophobicContact CB-CE1 3.61Å; A18-F81 HydrophobicContact CB-CZ 4.41Å; Q22-F81 HydrophobicContact CB-CE2 4.4Å; Q22-F81 HydrophobicContact CB-CZ 3.94Å; Q22-F81 HydrophobicContact CG-CZ 4.47Å; I26-F81 HydrophobicContact CD1-CB 4.48Å; I26-F81 HydrophobicContact CD1-CD2 3.08Å; I26-F81 HydrophobicContact CD1-CE2 3.27Å; I26-F81 HydrophobicContact CD1-CG 3.81Å; I26-F81 HydrophobicContact CD1-CZ 4.1Å; I26-F81 HydrophobicContact CG1-CD2 4.44Å; L79-F81 PolarHBondContact O-N 3.16Å; F81-G83 PolarHBondContact O-N 2.9Å; F81-R84 PolarHBondContact N-O 3.34Å; F81-R84 PolarHBondContact O-N 3.47Å; F81-R84 VanDerWaalsContact O-O 3.12Å; F81-L86 HydrophobicContact CB-CD1 3.74Å; F81-L86 HydrophobicContact CB-CD2 3.97Å; F81-L86 HydrophobicContact CB-CG 3.7Å; F81-L86 HydrophobicContact CD1-CD2 4.37Å; F81-L86 HydrophobicContact CG-CD1 4.41Å
82	N	76.8	Confident	78.4	Confident	103 Å²	103	66.5 Å²	66.5	55%	0.551	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	40.5	-172.7	-67.2	-3.5	0	0	0	113.5	P15 R84	P15-N82 HydrophobicContact CG-CB 4.25Å; N82-R84 VanDerWaalsContact C-N 3.28Å; N82-R84 PolarHBondContact O-N 2.81Å
83	G	77.8	Confident	78.1	Confident	68 Å²	68	68 Å²	68	70%	0.701	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	11.2	-179.3	0	0	0	0	0	115	F81	F81-G83 PolarHBondContact O-N 2.9Å
84	R	79	Confident	77.6	Confident	114 Å²	114	75.7 Å²	75.7	43%	0.43	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.2	174	-62	178.6	74.1	131.7	0.2	109.5	N13 F81 N82 L86	N13-R84 PolarHBondContact OD1-NE 2.86Å; N13-R84 PolarHBondContact OD1-NH2 3.04Å; F81-R84 PolarHBondContact N-O 3.34Å; F81-R84 PolarHBondContact O-N 3.47Å; F81-R84 VanDerWaalsContact O-O 3.12Å; N82-R84 VanDerWaalsContact C-N 3.28Å; N82-R84 PolarHBondContact O-N 2.81Å; R84-L86 PolarHBondContact O-N 3.34Å
85	G	80.5	Confident	77.1	Confident	29 Å²	29	78 Å²	78	30%	0.299	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	116.7	173.3	0	0	0	0	0	111.1	N13 R87	N13-G85 PolarHBondContact ND2-O 3.26Å; G85-R87 PolarHBondContact O-N 3.22Å
86	L	84	Confident	76.9	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.393	C	S	.	.			trans	-67.6	129.4	173.1	-63.7	-177.6	0	0	0	109.6	V11 I14 L23 N78 L79 F81 R84	V11-L86 HydrophobicContact CG1-CB 4.47Å; I14-L86 HydrophobicContact CB-CD2 4.39Å; I14-L86 HydrophobicContact CG1-CD2 4Å; L23-L86 HydrophobicContact CD2-CD1 4.31Å; N78-L86 WeakPolarHBondContact CA-O 3.32Å; N78-L86 PolarHBondContact N-O 3.23Å; L79-L86 HydrophobicContact CD2-CD1 4.22Å; L79-L86 WeakPolarHBondContact O-CB 3.45Å; L79-L86 PolarHBondContact O-N 3.23Å; F81-L86 HydrophobicContact CB-CD1 3.74Å; F81-L86 HydrophobicContact CB-CD2 3.97Å; F81-L86 HydrophobicContact CB-CG 3.7Å; F81-L86 HydrophobicContact CD1-CD2 4.37Å; F81-L86 HydrophobicContact CG-CD1 4.41Å; R84-L86 PolarHBondContact O-N 3.34Å
87	R	84.1	Confident	76.8	Confident	162 Å²	162	82.9 Å²	82.9	61%	0.611	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	107.8	176.3	-178.5	176.3	177.4	169.2	2.7	108.8	V11 G12 N13 G85 D89	V11-R87 CarbonylContact C-O 3.22Å; V11-R87 WeakPolarHBondContact CA-O 3.24Å; G12-R87 PolarHBondContact N-O 3.45Å; G12-R87 PolarHBondContact O-N 2.87Å; N13-R87 HydrophobicContact CB-CB 4.48Å; G85-R87 PolarHBondContact O-N 3.22Å; R87-D89 WeakPolarHBondContact CG-OD2 3.49Å; R87-D89 IonicContact CZ-OD2 3.48Å; R87-D89 IonicContact NE-OD2 3.8Å; R87-D89 PolarHBondContact NE-OD2 3.1Å; R87-D89 IonicContact NH2-OD2 2.8Å; R87-D89 PolarHBondContact NH2-OD2 3.32Å
88	I	84.6	Confident	76.8	Confident	1 Å²	1	81.4 Å²	81.4	1%	0.005	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.7	177.3	-53.7	164.9	0	0	0	108.1	V9 S10 V11 F27 L73 M76	V9-I88 HydrophobicContact CB-CG2 3.95Å; V9-I88 HydrophobicContact CG2-CG2 3.9Å; S10-I88 WeakPolarHBondContact O-CA 3.32Å; V11-I88 HydrophobicContact CG1-CG1 4.23Å; V11-I88 HydrophobicContact CG2-CG1 4.38Å; F27-I88 HydrophobicContact CE1-CD1 3.55Å; F27-I88 HydrophobicContact CE1-CG1 4.22Å; F27-I88 HydrophobicContact CZ-CD1 3.86Å; F27-I88 HydrophobicContact CZ-CG1 4.17Å; L73-I88 VanDerWaalsContact CD1-C 3.49Å; L73-I88 HydrophobicContact CD1-CB 4.19Å; L73-I88 HydrophobicContact CD1-CG2 3.68Å; L73-I88 WeakPolarHBondContact CD1-O 3.43Å; M76-I88 HydrophobicContact CB-CD1 3.22Å; M76-I88 HydrophobicContact CG-CD1 4.45Å; M76-I88 WeakPolarHBondContact O-CD1 3.49Å
89	D	84.9	Confident	76.8	Confident	54 Å²	54	78.1 Å²	78.1	29%	0.289	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.1	179.3	-82.1	-64.1	0	0	0	109.5	V9 S10 R87 A91	V9-D89 WeakPolarHBondContact CA-O 3.2Å; S10-D89 PolarHBondContact N-O 3.03Å; S10-D89 PolarHBondContact O-N 2.7Å; S10-D89 PolarHBondContact OG-O 2.99Å; R87-D89 WeakPolarHBondContact CG-OD2 3.49Å; R87-D89 IonicContact CZ-OD2 3.48Å; R87-D89 IonicContact NE-OD2 3.8Å; R87-D89 PolarHBondContact NE-OD2 3.1Å; R87-D89 IonicContact NH2-OD2 2.8Å; R87-D89 PolarHBondContact NH2-OD2 3.32Å; D89-A91 PolarHBondContact O-N 3.39Å
90	A	82.4	Confident	76.7	Confident	29 Å²	29	76.3 Å²	76.3	24%	0.24	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	131.4	174.3	0	0	0	0	0	110	L4 L73 S92	L4-A90 HydrophobicContact CD1-CB 4.43Å; L4-A90 HydrophobicContact CD2-CB 3.48Å; L4-A90 VanDerWaalsContact CD2-CB 3.48Å; L73-A90 HydrophobicContact CD2-CB 4.19Å; A90-S92 VanDerWaalsContact C-N 3.33Å; A90-S92 PolarHBondContact O-N 3.4Å
91	A	79.3	Confident	76.5	Confident	4 Å²	4	75.3 Å²	75.3	3%	0.033	38%	0.381	C	S	.	.			trans	-77.6	87.5	178.8	0	0	0	0	0	109.3	T6 V8 F60 D89 T96 I100	T6-A91 PolarHBondContact OG1-O 3.38Å; V8-A91 HydrophobicContact CB-CB 4.06Å; V8-A91 HydrophobicContact CG1-CB 3.97Å; V8-A91 WeakPolarHBondContact O-CB 3.43Å; V8-A91 PolarHBondContact O-N 3.2Å; F60-A91 HydrophobicContact CD1-CB 4.47Å; D89-A91 PolarHBondContact O-N 3.39Å; A91-T96 HydrophobicContact CB-CG2 3.65Å; A91-I100 HydrophobicContact CB-CD1 3.71Å
92	S	74.2	Confident	76.2	Confident	90 Å²	90	79.3 Å²	79.3	63%	0.629	40%	0.399	S	S	*	.			trans	-123.3	8.1	-172	-64.5	0	0	0	0	114.9	A90	A90-S92 VanDerWaalsContact C-N 3.33Å; A90-S92 PolarHBondContact O-N 3.4Å
93	G	68.8	Low	75.9	Confident	34 Å²	34	74.7 Å²	74.7	35%	0.351	38%	0.375	S	S	.	.			trans	-90.5	150.3	178.4	0	0	0	0	0	113.9	T96 K97	G93-T96 CarbonylContact O-C 3.52Å; G93-T96 VanDerWaalsContact O-CB 3.3Å; G93-T96 WeakPolarHBondContact O-CB 3.29Å; G93-T96 PolarHBondContact O-N 2.86Å; G93-K97 PolarHBondContact O-N 3.46Å
94	E	69.7	Low	75.5	Confident	184 Å²	184	75.4 Å²	75.4	86%	0.86	36%	0.359	S	S	*	.	H	α-helix	trans	-61.8	-42.4	171.7	-75	179.8	90	0	0	112.3	T96 K97 E98	E94-T96 VanDerWaalsContact C-N 3.28Å; E94-T96 PolarHBondContact O-N 3.28Å; E94-K97 WeakPolarHBondContact O-CB 3.37Å; E94-K97 PolarHBondContact O-N 3Å; E94-K97 VanDerWaalsContact O-N 3.11Å; E94-E98 PolarHBondContact O-N 2.87Å
95	R	66.3	Low	75.2	Confident	224 Å²	224	75 Å²	75	85%	0.845	36%	0.364	S	S	*	.	H	α-helix	trans	-58.9	-43.3	172.7	-76.4	-169	-75.8	-164.6	-5	111.5	K97 E98 E99	R95-K97 VanDerWaalsContact C-N 3.3Å; R95-K97 PolarHBondContact O-N 2.87Å; R95-E98 PolarHBondContact O-N 3.26Å; R95-E99 PolarHBondContact O-N 3.44Å; R95-E99 VanDerWaalsContact O-N 3.16Å
96	T	72.1	Confident	74.5	Confident	28 Å²	28	80.3 Å²	80.3	17%	0.172	38%	0.383	C	S	.	.	H	α-helix	trans	-62.8	-37.4	175.7	-55.5	0	0	0	0	111.5	F60 A91 G93 E94 E98 E99 I100	F60-T96 HydrophobicContact CD1-CG2 3.95Å; F60-T96 HydrophobicContact CE1-CG2 3.26Å; F60-T96 HydrophobicContact CZ-CG2 3.87Å; A91-T96 HydrophobicContact CB-CG2 3.65Å; G93-T96 CarbonylContact O-C 3.52Å; G93-T96 VanDerWaalsContact O-CB 3.3Å; G93-T96 WeakPolarHBondContact O-CB 3.29Å; G93-T96 PolarHBondContact O-N 2.86Å; E94-T96 VanDerWaalsContact C-N 3.28Å; E94-T96 PolarHBondContact O-N 3.28Å; T96-E98 VanDerWaalsContact C-N 3.32Å; T96-E98 PolarHBondContact O-N 2.96Å; T96-E99 PolarHBondContact O-N 2.89Å; T96-I100 HydrophobicContact CG2-CD1 3.64Å; T96-I100 HydrophobicContact CG2-CG1 4.07Å; T96-I100 WeakPolarHBondContact O-CB 3.42Å; T96-I100 WeakPolarHBondContact O-CG1 3.45Å; T96-I100 PolarHBondContact O-N 3.45Å
97	K	72.9	Confident	73.6	Confident	156 Å²	156	82.4 Å²	82.4	68%	0.678	39%	0.393	S	S	*	.	H	α-helix	trans	-61.6	-39.7	177.9	-169.5	-179.2	180	-176.7	0	112.2	G93 E94 R95 R101	G93-K97 PolarHBondContact O-N 3.46Å; E94-K97 WeakPolarHBondContact O-CB 3.37Å; E94-K97 PolarHBondContact O-N 3Å; E94-K97 VanDerWaalsContact O-N 3.11Å; R95-K97 VanDerWaalsContact C-N 3.3Å; R95-K97 PolarHBondContact O-N 2.87Å; K97-R101 VanDerWaalsContact O-CB 3.29Å; K97-R101 WeakPolarHBondContact O-CB 3.39Å; K97-R101 PolarHBondContact O-N 3.42Å
98	E	74.4	Confident	72.7	Confident	90 Å²	90	78 Å²	78	42%	0.421	39%	0.391	S	S	.	.	H	α-helix	trans	-70.7	-40.1	176	-170.4	57.6	-150.6	0	0	111.7	E94 R95 T96 I100 R101 Q102	E94-E98 PolarHBondContact O-N 2.87Å; R95-E98 PolarHBondContact O-N 3.26Å; T96-E98 VanDerWaalsContact C-N 3.32Å; T96-E98 PolarHBondContact O-N 2.96Å; E98-I100 VanDerWaalsContact C-N 3.35Å; E98-I100 PolarHBondContact O-N 3.44Å; E98-R101 WeakPolarHBondContact O-CB 3.47Å; E98-R101 PolarHBondContact O-N 3.34Å; E98-R101 IonicContact OE1-NE 2.88Å; E98-R101 IonicContact OE2-NE 3.6Å; E98-Q102 WeakPolarHBondContact O-CG 3.36Å; E98-Q102 PolarHBondContact O-N 2.81Å
99	E	72.4	Confident	71.5	Confident	41 Å²	41	82.2 Å²	82.2	19%	0.192	43%	0.426	C	S	.	.	H	α-helix	trans	-63.4	-40	173.4	-70.4	-176.3	123.2	0	0	111.8	M47 Y58 F60 R95 T96 Q102 M103	M47-E99 HydrophobicContact CE-CB 4.39Å; M47-E99 HydrophobicContact CE-CG 4.22Å; Y58-E99 PolarHBondContact OH-OE1 3.48Å; F60-E99 HydrophobicContact CD2-CB 4.47Å; F60-E99 HydrophobicContact CE2-CB 3.69Å; F60-E99 HydrophobicContact CE2-CG 4.42Å; F60-E99 HydrophobicContact CZ-CB 4.12Å; F60-E99 WeakPolarHBondContact CZ-OE2 3.29Å; R95-E99 PolarHBondContact O-N 3.44Å; R95-E99 VanDerWaalsContact O-N 3.16Å; T96-E99 PolarHBondContact O-N 2.89Å; E99-Q102 PolarHBondContact O-N 3.04Å; E99-M103 WeakPolarHBondContact O-CB 3.45Å; E99-M103 PolarHBondContact O-N 3.12Å
100	I	72.1	Confident	70.1	Confident	20 Å²	20	83.1 Å²	83.1	10%	0.103	44%	0.441	C	S	.	.	H	α-helix	trans	-62.7	-43.7	173.4	-69.4	168.1	0	0	0	110.4	V8 F60 A91 T96 E98 Q102 M103 H104	V8-I100 HydrophobicContact CB-CD1 3.91Å; V8-I100 HydrophobicContact CB-CG1 4.45Å; V8-I100 HydrophobicContact CG1-CD1 3.76Å; V8-I100 HydrophobicContact CG1-CG1 3.87Å; V8-I100 HydrophobicContact CG2-CD1 4.34Å; V8-I100 HydrophobicContact CG2-CG2 4.04Å; F60-I100 HydrophobicContact CD1-CG1 4.4Å; A91-I100 HydrophobicContact CB-CD1 3.71Å; T96-I100 HydrophobicContact CG2-CD1 3.64Å; T96-I100 HydrophobicContact CG2-CG1 4.07Å; T96-I100 WeakPolarHBondContact O-CB 3.42Å; T96-I100 WeakPolarHBondContact O-CG1 3.45Å; T96-I100 PolarHBondContact O-N 3.45Å; E98-I100 VanDerWaalsContact C-N 3.35Å; E98-I100 PolarHBondContact O-N 3.44Å; I100-Q102 VanDerWaalsContact C-N 3.31Å; I100-Q102 PolarHBondContact O-N 2.92Å; I100-M103 VanDerWaalsContact O-CB 3.26Å; I100-M103 WeakPolarHBondContact O-CB 3.44Å; I100-M103 PolarHBondContact O-N 3Å; I100-H104 VanDerWaalsContact CG2-CE1 3.41Å; I100-H104 WeakPolarHBondContact CG2-CE1 3.21Å; I100-H104 WeakPolarHBondContact CG2-ND1 3.39Å; I100-H104 PolarHBondContact O-N 3.37Å; I100-H104 PolarHBondContact O-ND1 2.9Å
101	R	73.6	Confident	68.6	Low	131 Å²	131	87.5 Å²	87.5	49%	0.494	46%	0.456	S	S	.	.	H	α-helix	trans	-63	-40.5	177.2	-177.7	-175.6	131.1	83.7	1.6	111.1	K97 E98 M103 H104 M105	K97-R101 VanDerWaalsContact O-CB 3.29Å; K97-R101 WeakPolarHBondContact O-CB 3.39Å; K97-R101 PolarHBondContact O-N 3.42Å; E98-R101 WeakPolarHBondContact O-CB 3.47Å; E98-R101 PolarHBondContact O-N 3.34Å; E98-R101 IonicContact OE1-NE 2.88Å; E98-R101 IonicContact OE2-NE 3.6Å; R101-M103 VanDerWaalsContact C-N 3.35Å; R101-H104 PolarHBondContact O-N 2.85Å; R101-M105 VanDerWaalsContact NH2-CE 3.26Å; R101-M105 PolarHBondContact O-N 2.87Å
102	Q	71.1	Confident	67.3	Low	103 Å²	103	96 Å²	96	48%	0.481	50%	0.496	S	S	.	.	H	α-helix	trans	-64.6	-39.6	173.3	-74.3	175.3	27.2	0	0	111.7	E98 E99 I100 M105 M106	E98-Q102 WeakPolarHBondContact O-CG 3.36Å; E98-Q102 PolarHBondContact O-N 2.81Å; E99-Q102 PolarHBondContact O-N 3.04Å; I100-Q102 VanDerWaalsContact C-N 3.31Å; I100-Q102 PolarHBondContact O-N 2.92Å; Q102-M105 PolarHBondContact O-N 3.35Å; Q102-M106 WeakPolarHBondContact O-CB 3.29Å; Q102-M106 PolarHBondContact O-N 3.43Å
103	M	69.8	Low	66.4	Low	7 Å²	7	101.2 Å²	101.2	3%	0.034	51%	0.51	C	S	.	.	H	α-helix	trans	-55.6	-50.7	170.4	145.6	-171.9	-79.6	0	0	111.1	I45 F60 E99 I100 R101 M105 M106 M107	I45-M103 HydrophobicContact CB-CE 3.69Å; I45-M103 HydrophobicContact CD1-CB 3.85Å; I45-M103 HydrophobicContact CD1-CE 3.87Å; I45-M103 HydrophobicContact CD1-CG 3.67Å; I45-M103 HydrophobicContact CG1-CE 3.76Å; F60-M103 HydrophobicContact CB-CE 3.44Å; F60-M103 VanDerWaalsContact CB-CE 3.44Å; F60-M103 HydrophobicContact CB-SD 4.13Å; F60-M103 VanDerWaalsContact O-CE 3.31Å; F60-M103 WeakPolarHBondContact O-CE 3.35Å; E99-M103 WeakPolarHBondContact O-CB 3.45Å; E99-M103 PolarHBondContact O-N 3.12Å; I100-M103 VanDerWaalsContact O-CB 3.26Å; I100-M103 WeakPolarHBondContact O-CB 3.44Å; I100-M103 PolarHBondContact O-N 3Å; R101-M103 VanDerWaalsContact C-N 3.35Å; M103-M105 VanDerWaalsContact C-N 3.27Å; M103-M105 PolarHBondContact O-N 3.34Å; M103-M106 PolarHBondContact O-N 3.17Å; M103-M106 VanDerWaalsContact O-N 3.14Å; M103-M107 WeakPolarHBondContact O-CG 3.45Å; M103-M107 PolarHBondContact O-N 2.92Å
104	H	70.3	Confident	65.7	Low	82 Å²	82	102.8 Å²	102.8	38%	0.38	52%	0.515	S	S	.	.	H	α-helix	trans	-60.7	-38	179.1	-76.5	79.6	0	0	0	111.5	E62 I100 R101 A108	E62-H104 IonicContact OE1-CE1 3.81Å; E62-H104 IonicContact OE1-NE2 3.93Å; E62-H104 PolarHBondContact OE1-NE2 3.48Å; E62-H104 IonicContact OE2-NE2 2.74Å; I100-H104 VanDerWaalsContact CG2-CE1 3.41Å; I100-H104 WeakPolarHBondContact CG2-CE1 3.21Å; I100-H104 WeakPolarHBondContact CG2-ND1 3.39Å; I100-H104 PolarHBondContact O-N 3.37Å; I100-H104 PolarHBondContact O-ND1 2.9Å; R101-H104 PolarHBondContact O-N 2.85Å; H104-A108 VanDerWaalsContact O-CB 3.26Å; H104-A108 WeakPolarHBondContact O-CB 3.42Å; H104-A108 PolarHBondContact O-N 3.2Å; H104-A108 VanDerWaalsContact O-N 3.09Å
105	M	71.3	Confident	65.6	Low	107 Å²	107	104.3 Å²	104.3	53%	0.527	52%	0.515	S	S	.	.	H	α-helix	trans	-68.4	-39.4	175.2	-77.3	-172.7	164	0	0	113.2	R101 Q102 M103 A109	R101-M105 VanDerWaalsContact NH2-CE 3.26Å; R101-M105 PolarHBondContact O-N 2.87Å; Q102-M105 PolarHBondContact O-N 3.35Å; M103-M105 VanDerWaalsContact C-N 3.27Å; M103-M105 PolarHBondContact O-N 3.34Å; M105-A109 PolarHBondContact O-N 3.31Å
106	M	66	Low	65.6	Low	140 Å²	140	103.3 Å²	103.3	69%	0.69	51%	0.513	S	S	*	.	H	α-helix	trans	-71.3	-36.5	-178.1	-169.5	166.9	176.7	0	0	111.6	Q102 M103 A109 A110	Q102-M106 WeakPolarHBondContact O-CB 3.29Å; Q102-M106 PolarHBondContact O-N 3.43Å; M103-M106 PolarHBondContact O-N 3.17Å; M103-M106 VanDerWaalsContact O-N 3.14Å; M106-A109 PolarHBondContact O-N 3.48Å; M106-A110 PolarHBondContact O-N 3.06Å
107	M	64.9	Low	65.1	Low	43 Å²	43	103.7 Å²	103.7	21%	0.212	52%	0.522	C	S	.	.	H	α-helix	trans	-74.1	-40.4	175.9	-59.1	-137.6	87.6	0	0	112.2	N43 I45 M103 A109 A110 E111	N43-M107 HydrophobicContact CB-SD 3.56Å; N43-M107 VanDerWaalsContact CB-SD 3.56Å; N43-M107 PolarHBondContact OD1-SD 2.92Å; I45-M107 HydrophobicContact CD1-CG 3.64Å; I45-M107 HydrophobicContact CD1-SD 3.92Å; I45-M107 HydrophobicContact CG1-SD 4.2Å; M103-M107 WeakPolarHBondContact O-CG 3.45Å; M103-M107 PolarHBondContact O-N 2.92Å; M107-A109 PolarHBondContact O-N 3.22Å; M107-A110 CarbonylContact O-C 3.58Å; M107-A110 WeakPolarHBondContact O-CA 3.35Å; M107-A110 PolarHBondContact O-N 3.35Å; M107-E111 PolarHBondContact O-N 2.91Å
108	A	64.8	Low	64.8	Low	69 Å²	69	101.3 Å²	101.3	57%	0.57	52%	0.522	S	S	*	.	H	α-helix	trans	-58.4	-23.3	174.3	0	0	0	0	0	113.2	H104	H104-A108 VanDerWaalsContact O-CB 3.26Å; H104-A108 WeakPolarHBondContact O-CB 3.42Å; H104-A108 PolarHBondContact O-N 3.2Å; H104-A108 VanDerWaalsContact O-N 3.09Å
109	A	60.7	Low	64.3	Low	90 Å²	90	102.2 Å²	102.2	74%	0.744	53%	0.534	S	S	*	.	H	α-helix	trans	-87	-19.5	173.6	0	0	0	0	0	113.9	M105 M106 M107	M105-A109 PolarHBondContact O-N 3.31Å; M106-A109 PolarHBondContact O-N 3.48Å; M107-A109 PolarHBondContact O-N 3.22Å
110	A	54.8	Low	63.9	Low	73 Å²	73	102.4 Å²	102.4	60%	0.603	54%	0.543	S	S	*	.	H	α-helix	trans	-100	-7.4	-177.7	0	0	0	0	0	113.5	M106 M107 E112	M106-A110 PolarHBondContact O-N 3.06Å; M107-A110 CarbonylContact O-C 3.58Å; M107-A110 WeakPolarHBondContact O-CA 3.35Å; M107-A110 PolarHBondContact O-N 3.35Å; A110-E112 VanDerWaalsContact C-N 3.33Å; A110-E112 PolarHBondContact O-N 2.85Å
111	E	52	Low	63.6	Low	121 Å²	121	102.9 Å²	102.9	57%	0.565	55%	0.548	S	S	*	.			trans	-63.4	94.6	170	-72.2	-175.2	-165.6	0	0	108.9	M107 E113	M107-E111 PolarHBondContact O-N 2.91Å; E111-E113 PolarHBondContact O-N 3.2Å
112	E	52	Low	63.3	Low	184 Å²	184	98.1 Å²	98.1	86%	0.86	54%	0.54	S	S	*	.			trans	-52	128.4	152.9	-82.7	-169.1	156.6	0	0	106.7	A110 S114	A110-E112 VanDerWaalsContact C-N 3.33Å; A110-E112 PolarHBondContact O-N 2.85Å; E112-S114 VanDerWaalsContact C-N 3.27Å; E112-S114 PolarHBondContact O-N 3.5Å
113	E	54.3	Low	63.1	Low	198 Å²	198	100 Å²	100	93%	0.925	55%	0.549	S	S	*	.			trans	-53.2	93.2	175.5	-86.3	-175.3	142.6	0	0	109.4	E111 Y115	E111-E113 PolarHBondContact O-N 3.2Å; E113-Y115 PolarHBondContact O-N 3Å
114	S	55.3	Low	63	Low	67 Å²	67	105 Å²	105	47%	0.469	58%	0.575	S	S	.	*			trans	-63.5	131.2	167.9	172.3	0	0	0	0	107	E112 Y116 G117	E112-S114 VanDerWaalsContact C-N 3.27Å; E112-S114 PolarHBondContact O-N 3.5Å; S114-Y116 PolarHBondContact O-N 3.12Å; S114-Y116 PolarHBondContact OG-N 3.31Å; S114-G117 PolarHBondContact O-N 3.45Å
115	Y	65.9	Low	63.1	Low	217 Å²	217	102.3 Å²	102.3	85%	0.851	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	-23.6	177	-174	-100.2	0	0	0	113	E113	E113-Y115 PolarHBondContact O-N 3Å
116	Y	66.5	Low	63.2	Low	203 Å²	203	101.6 Å²	101.6	80%	0.796	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	1	-178.5	-53.4	-71.9	0	0	0	114.3	S114	S114-Y116 PolarHBondContact O-N 3.12Å; S114-Y116 PolarHBondContact OG-N 3.31Å
117	G	63	Low	63.7	Low	36 Å²	36	103 Å²	103	37%	0.371	56%	0.559	S	S	.	*			trans	78.2	-172.2	-177.7	0	0	0	0	0	113.9	S114	S114-G117 PolarHBondContact O-N 3.45Å
118	P	65	Low	64.3	Low	105 Å²	105	103.1 Å²	103.1	68%	0.682	57%	0.567	S	S	*	*	S	Bend	trans	-65.9	143.8	-176.7	25.7	-32.8	0	0	0	111.3	A120	P118-A120 PolarHBondContact O-N 3.31Å; P118-A120 VanDerWaalsContact O-N 3.15Å
119	T	65	Low	65.1	Low	109 Å²	109	102.3 Å²	102.3	67%	0.669	55%	0.552	S	S	*	*			trans	-69.9	111.9	175.3	43.6	0	0	0	0	109.8
120	A	64.5	Low	66.1	Low	45 Å²	45	99.5 Å²	99.5	37%	0.372	53%	0.527	S	S	.	.			trans	-100.9	146.5	176.1	0	0	0	0	0	110.4	P118 D124 A125 A128	P118-A120 PolarHBondContact O-N 3.31Å; P118-A120 VanDerWaalsContact O-N 3.15Å; A120-D124 HydrophobicContact CB-CB 4.35Å; A120-A125 HydrophobicContact CB-CB 4.42Å; A120-A125 WeakPolarHBondContact O-CB 3.14Å; A120-A128 HydrophobicContact CB-CB 3.94Å
121	C	65.7	Low	67.4	Low	30 Å²	30	100.1 Å²	100.1	20%	0.203	52%	0.52	C	S	.	.			trans	-126	151.9	-172.5	-23.2	0	0	0	0	111.9	C64 E123 D124 A125	C64-C121 HydrophobicContact CB-CB 3.78Å; C64-C121 WeakPolarHBondContact SG-CB 3.29Å; C121-E123 PolarHBondContact O-N 2.95Å; C121-D124 WeakPolarHBondContact O-CB 3.32Å; C121-D124 PolarHBondContact O-N 2.92Å; C121-A125 PolarHBondContact O-N 2.91Å; C121-A125 VanDerWaalsContact O-N 3.12Å
122	G	67	Low	68.9	Low	32 Å²	32	97 Å²	97	33%	0.33	52%	0.515	S	S	.	.	H	α-helix	trans	55.4	-120.9	172.6	0	0	0	0	0	114.6	A125 K126	G122-A125 PolarHBondContact O-N 3.3Å; G122-K126 PolarHBondContact O-N 3.44Å
123	E	66.1	Low	70.5	Confident	143 Å²	143	88.8 Å²	88.8	67%	0.668	48%	0.477	S	S	*	.	H	α-helix	trans	-68.9	-33.7	177.2	-63.7	-137.1	96.2	0	0	113.3	C121 A125 K126 R127	C121-E123 PolarHBondContact O-N 2.95Å; E123-A125 VanDerWaalsContact C-N 3.29Å; E123-A125 PolarHBondContact O-N 3.13Å; E123-K126 PolarHBondContact O-N 3.48Å; E123-K126 IonicContact OE1-NZ 3.72Å; E123-K126 PolarHBondContact OE1-NZ 3.44Å; E123-R127 WeakPolarHBondContact O-CB 3.24Å; E123-R127 PolarHBondContact O-N 2.93Å
124	D	67.9	Low	71.9	Confident	112 Å²	112	84.7 Å²	84.7	60%	0.599	46%	0.46	S	S	*	.	H	α-helix	trans	-67.7	-34.3	176.7	-59.7	-42.9	0	0	0	110.5	A120 C121 R127 A128	A120-D124 HydrophobicContact CB-CB 4.35Å; C121-D124 WeakPolarHBondContact O-CB 3.32Å; C121-D124 PolarHBondContact O-N 2.92Å; D124-R127 PolarHBondContact O-N 2.97Å; D124-A128 VanDerWaalsContact O-CB 3.25Å; D124-A128 WeakPolarHBondContact O-CB 3.3Å; D124-A128 PolarHBondContact O-N 3.07Å
125	A	71.8	Confident	73.4	Confident	25 Å²	25	88.4 Å²	88.4	21%	0.207	48%	0.475	C	S	.	.	H	α-helix	trans	-63.5	-48.3	173.5	0	0	0	0	0	112.1	A120 C121 G122 E123 R127 A128 I129	A120-A125 HydrophobicContact CB-CB 4.42Å; A120-A125 WeakPolarHBondContact O-CB 3.14Å; C121-A125 PolarHBondContact O-N 2.91Å; C121-A125 VanDerWaalsContact O-N 3.12Å; G122-A125 PolarHBondContact O-N 3.3Å; E123-A125 VanDerWaalsContact C-N 3.29Å; E123-A125 PolarHBondContact O-N 3.13Å; A125-R127 VanDerWaalsContact C-N 3.27Å; A125-R127 PolarHBondContact O-N 2.88Å; A125-A128 PolarHBondContact O-N 2.64Å; A125-I129 VanDerWaalsContact O-CG1 3.29Å; A125-I129 WeakPolarHBondContact O-CG1 3.48Å; A125-I129 PolarHBondContact O-N 2.95Å
126	K	74.8	Confident	74.3	Confident	92 Å²	92	82.1 Å²	82.1	40%	0.4	46%	0.455	S	S	.	.	H	α-helix	trans	-57	-46.9	176.9	-66.8	-178.9	-65.4	173	0	109.9	G122 E123 I129 S130 L171	G122-K126 PolarHBondContact O-N 3.44Å; E123-K126 PolarHBondContact O-N 3.48Å; E123-K126 IonicContact OE1-NZ 3.72Å; E123-K126 PolarHBondContact OE1-NZ 3.44Å; K126-I129 PolarHBondContact O-N 3.22Å; K126-S130 PolarHBondContact O-N 3.39Å; K126-S130 PolarHBondContact O-OG 3.48Å; K126-L171 HydrophobicContact CD-CD2 4.18Å; K126-L171 HydrophobicContact CG-CD2 3.94Å
127	R	75.3	Confident	75.3	Confident	170 Å²	170	75.6 Å²	75.6	64%	0.642	44%	0.438	S	S	*	.	H	α-helix	trans	-64.8	-43	179.8	-171	173.6	-174.1	150.8	2.9	112.5	E123 D124 A125 I129 S130 D131	E123-R127 WeakPolarHBondContact O-CB 3.24Å; E123-R127 PolarHBondContact O-N 2.93Å; D124-R127 PolarHBondContact O-N 2.97Å; A125-R127 VanDerWaalsContact C-N 3.27Å; A125-R127 PolarHBondContact O-N 2.88Å; R127-I129 VanDerWaalsContact C-N 3.31Å; R127-I129 PolarHBondContact O-N 2.64Å; R127-S130 PolarHBondContact O-N 3.01Å; R127-D131 WeakPolarHBondContact O-CB 3.47Å; R127-D131 PolarHBondContact O-N 2.58Å
128	A	77	Confident	76.3	Confident	45 Å²	45	80.5 Å²	80.5	37%	0.372	45%	0.449	S	S	.	.	H	α-helix	trans	-61.6	-40	177.2	0	0	0	0	0	111.7	A120 D124 A125 A132	A120-A128 HydrophobicContact CB-CB 3.94Å; D124-A128 VanDerWaalsContact O-CB 3.25Å; D124-A128 WeakPolarHBondContact O-CB 3.3Å; D124-A128 PolarHBondContact O-N 3.07Å; A125-A128 PolarHBondContact O-N 2.64Å; A128-A132 VanDerWaalsContact O-CB 3.24Å; A128-A132 WeakPolarHBondContact O-CB 3.46Å; A128-A132 PolarHBondContact O-N 3.44Å
129	I	81.7	Confident	77.5	Confident	52 Å²	52	81.7 Å²	81.7	27%	0.267	45%	0.446	S	S	.	.	H	α-helix	trans	-63.7	-49.1	173.8	-66.3	165	0	0	0	110.2	A125 K126 R127 D131 A132 L133 Q168 A172	A125-I129 VanDerWaalsContact O-CG1 3.29Å; A125-I129 WeakPolarHBondContact O-CG1 3.48Å; A125-I129 PolarHBondContact O-N 2.95Å; K126-I129 PolarHBondContact O-N 3.22Å; R127-I129 VanDerWaalsContact C-N 3.31Å; R127-I129 PolarHBondContact O-N 2.64Å; I129-D131 PolarHBondContact O-N 3.36Å; I129-A132 PolarHBondContact O-N 2.78Å; I129-L133 HydrophobicContact CG2-CD1 4.07Å; I129-L133 HydrophobicContact CG2-CG 4.46Å; I129-L133 VanDerWaalsContact O-CG 3.29Å; I129-L133 WeakPolarHBondContact O-CG 3.37Å; I129-L133 PolarHBondContact O-N 3.41Å; I129-Q168 HydrophobicContact CD1-CB 4.2Å; I129-A172 HydrophobicContact CG2-CB 3.73Å
130	S	82.6	Confident	78.6	Confident	30 Å²	30	83.5 Å²	83.5	21%	0.21	44%	0.44	C	S	.	.	H	α-helix	trans	-61.6	-43	178.9	-50.8	0	0	0	0	111.9	K126 R127 L133 I134 D175	K126-S130 PolarHBondContact O-N 3.39Å; K126-S130 PolarHBondContact O-OG 3.48Å; R127-S130 PolarHBondContact O-N 3.01Å; S130-L133 PolarHBondContact O-N 2.8Å; S130-I134 WeakPolarHBondContact O-CD1 3.16Å; S130-I134 WeakPolarHBondContact O-CG1 3.42Å; S130-I134 PolarHBondContact O-N 3.21Å; S130-D175 PolarHBondContact OG-OD2 3.38Å
131	D	83.1	Confident	79.6	Confident	86 Å²	86	81.6 Å²	81.6	46%	0.46	42%	0.424	S	S	.	.	H	α-helix	trans	-64.4	-42.7	177.8	-76.2	-10.1	0	0	0	110.8	R127 I129 L133 I134 D135	R127-D131 WeakPolarHBondContact O-CB 3.47Å; R127-D131 PolarHBondContact O-N 2.58Å; I129-D131 PolarHBondContact O-N 3.36Å; D131-L133 VanDerWaalsContact C-N 3.34Å; D131-L133 PolarHBondContact O-N 3.39Å; D131-I134 PolarHBondContact O-N 3Å; D131-D135 PolarHBondContact O-N 3.23Å
132	A	83.4	Confident	80.7	Confident	55 Å²	55	82.7 Å²	82.7	46%	0.455	43%	0.429	S	S	.	.	H	α-helix	trans	-62.1	-40.3	174.1	0	0	0	0	0	112.1	A128 I129 I134 D135 L136	A128-A132 VanDerWaalsContact O-CB 3.24Å; A128-A132 WeakPolarHBondContact O-CB 3.46Å; A128-A132 PolarHBondContact O-N 3.44Å; I129-A132 PolarHBondContact O-N 2.78Å; A132-I134 VanDerWaalsContact C-N 3.33Å; A132-I134 PolarHBondContact O-N 3.47Å; A132-D135 PolarHBondContact O-N 3.27Å; A132-L136 WeakPolarHBondContact O-CG 3.33Å; A132-L136 PolarHBondContact O-N 2.95Å; A132-L136 VanDerWaalsContact O-N 3.11Å
133	L	84.3	Confident	81.8	Confident	13 Å²	13	85.7 Å²	85.7	7%	0.068	44%	0.435	C	S	.	.	H	α-helix	trans	-66.9	-33.6	175.7	-70.2	172.2	0	0	0	112.5	I129 S130 D131 L136 L141 A172 D175 A176 I179	I129-L133 HydrophobicContact CG2-CD1 4.07Å; I129-L133 HydrophobicContact CG2-CG 4.46Å; I129-L133 VanDerWaalsContact O-CG 3.29Å; I129-L133 WeakPolarHBondContact O-CG 3.37Å; I129-L133 PolarHBondContact O-N 3.41Å; S130-L133 PolarHBondContact O-N 2.8Å; D131-L133 VanDerWaalsContact C-N 3.34Å; D131-L133 PolarHBondContact O-N 3.39Å; L133-L136 HydrophobicContact CD2-CD1 4.31Å; L133-L141 HydrophobicContact CB-CD2 4.21Å; L133-L141 HydrophobicContact CD2-CD2 3.66Å; L133-L141 WeakPolarHBondContact O-CD1 3.25Å; L133-A172 HydrophobicContact CD1-CB 4.13Å; L133-A172 WeakPolarHBondContact CD1-O 3.33Å; L133-D175 HydrophobicContact CD1-CB 3.73Å; L133-A176 HydrophobicContact CD1-CB 4.41Å; L133-A176 HydrophobicContact CD2-CB 4.37Å; L133-I179 HydrophobicContact CB-CD1 3.75Å
134	I	84.5	Confident	82.9	Confident	111 Å²	111	81.9 Å²	81.9	57%	0.569	42%	0.416	S	S	*	.	H	α-helix	trans	-71.4	-35.4	177.1	-69.1	162.3	0	0	0	111.2	S130 D131 A132 L136 I179	S130-I134 WeakPolarHBondContact O-CD1 3.16Å; S130-I134 WeakPolarHBondContact O-CG1 3.42Å; S130-I134 PolarHBondContact O-N 3.21Å; D131-I134 PolarHBondContact O-N 3Å; A132-I134 VanDerWaalsContact C-N 3.33Å; A132-I134 PolarHBondContact O-N 3.47Å; I134-L136 VanDerWaalsContact C-N 3.34Å; I134-I179 HydrophobicContact CG1-CD1 3.88Å; I134-I179 HydrophobicContact CG1-CG1 4.47Å
135	D	86.5	Confident	83.9	Confident	146 Å²	146	76.8 Å²	76.8	78%	0.781	39%	0.388	S	S	*	.	H	α-helix	trans	-76.2	-22.5	178.8	-160.4	55.8	0	0	0	112.8	D131 A132	D131-D135 PolarHBondContact O-N 3.23Å; A132-D135 PolarHBondContact O-N 3.27Å
136	L	85.6	Confident	84.7	Confident	84 Å²	84	81 Å²	81	44%	0.44	40%	0.404	S	S	.	.	S	Bend	trans	-66.8	137.1	175.6	-77.8	172.2	0	0	0	111.8	A132 L133 I134 L141	A132-L136 WeakPolarHBondContact O-CG 3.33Å; A132-L136 PolarHBondContact O-N 2.95Å; A132-L136 VanDerWaalsContact O-N 3.11Å; L133-L136 HydrophobicContact CD2-CD1 4.31Å; I134-L136 VanDerWaalsContact C-N 3.34Å; L136-L141 HydrophobicContact CB-CD2 4.32Å; L136-L141 HydrophobicContact CB-CG 4.19Å; L136-L141 HydrophobicContact CD1-CD2 4.43Å
137	P	87.6	Confident	85.4	Confident	67 Å²	67	83.2 Å²	83.2	44%	0.435	42%	0.416	S	S	.	.			trans	-63.7	146.7	175.5	27.7	-34.2	0	0	0	110.5	E139 R140 L141	P137-E139 PolarHBondContact O-N 2.99Å; P137-E139 VanDerWaalsContact O-N 3.12Å; P137-R140 HydrophobicContact CG-CB 4.04Å; P137-R140 HydrophobicContact CG-CG 3.63Å; P137-R140 WeakPolarHBondContact O-CB 3.42Å; P137-R140 PolarHBondContact O-N 3.3Å; P137-L141 PolarHBondContact O-N 3.44Å
138	K	83.5	Confident	86	Confident	139 Å²	139	75.9 Å²	75.9	60%	0.604	39%	0.389	S	S	*	.	H	α-helix	trans	-57.2	-34.9	-172.9	-173.2	179.6	177.9	-175.3	0	112.4	R140 L141 V142	K138-R140 VanDerWaalsContact C-N 3.31Å; K138-R140 PolarHBondContact O-N 2.98Å; K138-L141 PolarHBondContact O-N 3.36Å; K138-V142 HydrophobicContact CG-CG2 4.45Å; K138-V142 WeakPolarHBondContact O-CG2 3.45Å; K138-V142 PolarHBondContact O-N 3.31Å
139	E	88.7	Confident	86.5	Confident	130 Å²	130	76.6 Å²	76.6	61%	0.607	38%	0.384	S	S	*	.	H	α-helix	trans	-58.9	-44.3	177.2	-61.6	72.4	-155.1	0	0	110.9	P137 V142 E143	P137-E139 PolarHBondContact O-N 2.99Å; P137-E139 VanDerWaalsContact O-N 3.12Å; E139-V142 PolarHBondContact O-N 2.81Å; E139-E143 WeakPolarHBondContact O-CG 3.45Å; E139-E143 PolarHBondContact O-N 3.33Å
140	R	89.1	Confident	86.9	Confident	147 Å²	147	77.7 Å²	77.7	56%	0.555	39%	0.393	S	S	*	.	H	α-helix	trans	-67.7	-38.7	178.2	-69.7	-62.4	-163.9	179	7.2	112.7	P137 K138 V142 E143 F144	P137-R140 HydrophobicContact CG-CB 4.04Å; P137-R140 HydrophobicContact CG-CG 3.63Å; P137-R140 WeakPolarHBondContact O-CB 3.42Å; P137-R140 PolarHBondContact O-N 3.3Å; K138-R140 VanDerWaalsContact C-N 3.31Å; K138-R140 PolarHBondContact O-N 2.98Å; R140-V142 VanDerWaalsContact C-N 3.32Å; R140-V142 PolarHBondContact O-N 3.45Å; R140-E143 WeakPolarHBondContact CD-OE2 3.17Å; R140-E143 IonicContact CZ-OE2 3.82Å; R140-E143 IonicContact NH1-OE2 3.23Å; R140-E143 PolarHBondContact NH1-OE2 3.2Å; R140-E143 PolarHBondContact O-N 2.89Å; R140-F144 WeakPolarHBondContact O-CB 3.44Å; R140-F144 PolarHBondContact O-N 3.11Å
141	L	86.3	Confident	87.1	Confident	5 Å²	5	78.4 Å²	78.4	3%	0.026	40%	0.398	C	S	.	.	H	α-helix	trans	-63.2	-40.2	174.5	-71.9	170	0	0	0	111.9	L133 L136 P137 K138 F144 L145 A176 I179	L133-L141 HydrophobicContact CB-CD2 4.21Å; L133-L141 HydrophobicContact CD2-CD2 3.66Å; L133-L141 WeakPolarHBondContact O-CD1 3.25Å; L136-L141 HydrophobicContact CB-CD2 4.32Å; L136-L141 HydrophobicContact CB-CG 4.19Å; L136-L141 HydrophobicContact CD1-CD2 4.43Å; P137-L141 PolarHBondContact O-N 3.44Å; K138-L141 PolarHBondContact O-N 3.36Å; L141-F144 PolarHBondContact O-N 3.39Å; L141-L145 WeakPolarHBondContact O-CG 3.41Å; L141-L145 PolarHBondContact O-N 3.23Å; L141-A176 HydrophobicContact CD2-CB 4.16Å; L141-I179 HydrophobicContact CD1-CG2 3.75Å
142	V	87.7	Confident	87.2	Confident	52 Å²	52	74.9 Å²	74.9	32%	0.315	38%	0.379	S	S	.	.	H	α-helix	trans	-68.7	-44	177.6	173.3	0	0	0	0	110.9	K138 E139 R140 F144 L145 Q146	K138-V142 HydrophobicContact CG-CG2 4.45Å; K138-V142 WeakPolarHBondContact O-CG2 3.45Å; K138-V142 PolarHBondContact O-N 3.31Å; E139-V142 PolarHBondContact O-N 2.81Å; R140-V142 VanDerWaalsContact C-N 3.32Å; R140-V142 PolarHBondContact O-N 3.45Å; V142-F144 VanDerWaalsContact C-N 3.32Å; V142-F144 PolarHBondContact O-N 2.91Å; V142-L145 PolarHBondContact O-N 2.72Å; V142-Q146 HydrophobicContact CG1-CG 4.28Å; V142-Q146 WeakPolarHBondContact O-CB 3.18Å; V142-Q146 VanDerWaalsContact O-CG 3.29Å; V142-Q146 WeakPolarHBondContact O-CG 3.21Å; V142-Q146 PolarHBondContact O-N 3.32Å
143	E	89.9	Confident	87.5	Confident	96 Å²	96	80.4 Å²	80.4	45%	0.449	39%	0.388	S	S	.	.	H	α-helix	trans	-55.2	-48.2	173.1	-76.9	173.2	-165.8	0	0	111	E139 R140 L145 Q146 E147	E139-E143 WeakPolarHBondContact O-CG 3.45Å; E139-E143 PolarHBondContact O-N 3.33Å; R140-E143 WeakPolarHBondContact CD-OE2 3.17Å; R140-E143 IonicContact CZ-OE2 3.82Å; R140-E143 IonicContact NH1-OE2 3.23Å; R140-E143 PolarHBondContact NH1-OE2 3.2Å; R140-E143 PolarHBondContact O-N 2.89Å; E143-L145 PolarHBondContact O-N 3.15Å; E143-Q146 PolarHBondContact O-N 3Å; E143-E147 WeakPolarHBondContact O-CB 3.18Å; E143-E147 PolarHBondContact O-N 3Å
144	F	89.8	Confident	87.8	Confident	62 Å²	62	84.8 Å²	84.8	27%	0.272	41%	0.412	S	S	.	.	H	α-helix	trans	-57.1	-49.9	176.7	171.8	-116.8	0	0	0	112	R140 L141 V142 Q146 E147 I148 I173 A176	R140-F144 WeakPolarHBondContact O-CB 3.44Å; R140-F144 PolarHBondContact O-N 3.11Å; L141-F144 PolarHBondContact O-N 3.39Å; V142-F144 VanDerWaalsContact C-N 3.32Å; V142-F144 PolarHBondContact O-N 2.91Å; F144-Q146 VanDerWaalsContact C-N 3.32Å; F144-Q146 PolarHBondContact O-N 3.49Å; F144-E147 PolarHBondContact O-N 2.78Å; F144-I148 HydrophobicContact CD2-CG1 4.36Å; F144-I148 HydrophobicContact CE2-CD1 4.22Å; F144-I148 HydrophobicContact CE2-CG1 4Å; F144-I148 HydrophobicContact CZ-CG1 4.25Å; F144-I148 WeakPolarHBondContact O-CG1 3.37Å; F144-I148 PolarHBondContact O-N 3.38Å; F144-I148 VanDerWaalsContact O-N 3.1Å; F144-I173 HydrophobicContact CE1-CG1 3.87Å; F144-I173 HydrophobicContact CZ-CG1 3.74Å; F144-A176 HydrophobicContact CD1-CB 4.35Å; F144-A176 HydrophobicContact CE1-CB 4.39Å
145	L	88.3	Confident	88.1	Confident	5 Å²	5	83.6 Å²	83.6	3%	0.026	41%	0.406	C	S	.	.	H	α-helix	trans	-63.8	-36.5	177.8	-70.9	174.5	0	0	0	112.5	L141 V142 E143 K149 I173 A176 C180	L141-L145 WeakPolarHBondContact O-CG 3.41Å; L141-L145 PolarHBondContact O-N 3.23Å; V142-L145 PolarHBondContact O-N 2.72Å; E143-L145 PolarHBondContact O-N 3.15Å; L145-K149 WeakPolarHBondContact O-CB 3.33Å; L145-K149 VanDerWaalsContact O-CG 3.26Å; L145-K149 WeakPolarHBondContact O-CG 3.47Å; L145-K149 PolarHBondContact O-N 2.93Å; L145-I173 HydrophobicContact CD2-CG2 3.99Å; L145-A176 HydrophobicContact CD1-CB 4.45Å; L145-A176 HydrophobicContact CD2-CB 4.09Å; L145-A176 HydrophobicContact CG-CB 4.32Å; L145-C180 HydrophobicContact CD1-CB 4.07Å
146	Q	89.1	Confident	88.2	Confident	113 Å²	113	79.8 Å²	79.8	53%	0.528	39%	0.39	S	S	.	.	H	α-helix	trans	-67.8	-39.5	176.6	-76.3	179	-5.4	0	0	112.3	V142 E143 F144 K149 T150	V142-Q146 HydrophobicContact CG1-CG 4.28Å; V142-Q146 WeakPolarHBondContact O-CB 3.18Å; V142-Q146 VanDerWaalsContact O-CG 3.29Å; V142-Q146 WeakPolarHBondContact O-CG 3.21Å; V142-Q146 PolarHBondContact O-N 3.32Å; E143-Q146 PolarHBondContact O-N 3Å; F144-Q146 VanDerWaalsContact C-N 3.32Å; F144-Q146 PolarHBondContact O-N 3.49Å; Q146-K149 PolarHBondContact O-N 3.45Å; Q146-T150 WeakPolarHBondContact O-CB 3.29Å; Q146-T150 PolarHBondContact O-N 2.79Å; Q146-T150 PolarHBondContact O-OG1 2.81Å
147	E	89.7	Confident	88.3	Confident	139 Å²	139	82.5 Å²	82.5	65%	0.65	41%	0.405	S	S	*	.	H	α-helix	trans	-62.8	-45.2	176.1	-171.2	174.6	90.4	0	0	110.7	E143 F144 K149 T150 S151	E143-E147 WeakPolarHBondContact O-CB 3.18Å; E143-E147 PolarHBondContact O-N 3Å; F144-E147 PolarHBondContact O-N 2.78Å; E147-K149 PolarHBondContact O-N 3.25Å; E147-T150 PolarHBondContact O-N 2.84Å; E147-S151 WeakPolarHBondContact O-CB 3.29Å; E147-S151 PolarHBondContact O-N 3.12Å
148	I	88.7	Confident	88.2	Confident	16 Å²	16	85.7 Å²	85.7	8%	0.082	41%	0.414	C	S	.	.	H	α-helix	trans	-62.3	-42.6	175.6	-64.1	-60.9	0	0	0	111.6	F144 T150 S151 L152 I173	F144-I148 HydrophobicContact CD2-CG1 4.36Å; F144-I148 HydrophobicContact CE2-CD1 4.22Å; F144-I148 HydrophobicContact CE2-CG1 4Å; F144-I148 HydrophobicContact CZ-CG1 4.25Å; F144-I148 WeakPolarHBondContact O-CG1 3.37Å; F144-I148 PolarHBondContact O-N 3.38Å; F144-I148 VanDerWaalsContact O-N 3.1Å; I148-T150 PolarHBondContact O-N 3.13Å; I148-S151 WeakPolarHBondContact O-CB 3.4Å; I148-S151 PolarHBondContact O-N 3.48Å; I148-L152 HydrophobicContact CG2-CD1 4.09Å; I148-L152 WeakPolarHBondContact O-CG 3.33Å; I148-L152 PolarHBondContact O-N 3.41Å; I148-I173 HydrophobicContact CD1-CD1 4.14Å; I148-I173 HydrophobicContact CG1-CD1 4.03Å; I148-I173 HydrophobicContact CG1-CG1 4.21Å; I148-I173 HydrophobicContact CG2-CD1 3.79Å; I148-I173 HydrophobicContact CG2-CG1 4.42Å
149	K	86.7	Confident	88.3	Confident	61 Å²	61	79.5 Å²	79.5	27%	0.265	39%	0.388	S	S	.	.	H	α-helix	trans	-62.5	-41.7	175.6	-75.6	173.9	-175.9	-178.6	0	112.2	L145 Q146 E147 L152 R153	L145-K149 WeakPolarHBondContact O-CB 3.33Å; L145-K149 VanDerWaalsContact O-CG 3.26Å; L145-K149 WeakPolarHBondContact O-CG 3.47Å; L145-K149 PolarHBondContact O-N 2.93Å; Q146-K149 PolarHBondContact O-N 3.45Å; E147-K149 PolarHBondContact O-N 3.25Å; K149-L152 PolarHBondContact O-N 2.93Å; K149-R153 PolarHBondContact O-N 3.15Å
150	T	90.8	Very high	88.1	Confident	75 Å²	75	76 Å²	76	46%	0.46	37%	0.369	S	S	.	.	H	α-helix	trans	-66.1	-42.1	177.5	-57	0	0	0	0	110.7	Q146 E147 I148 L152 R153 N154	Q146-T150 WeakPolarHBondContact O-CB 3.29Å; Q146-T150 PolarHBondContact O-N 2.79Å; Q146-T150 PolarHBondContact O-OG1 2.81Å; E147-T150 PolarHBondContact O-N 2.84Å; I148-T150 PolarHBondContact O-N 3.13Å; T150-L152 PolarHBondContact O-N 3.43Å; T150-R153 PolarHBondContact O-N 3.42Å; T150-N154 WeakPolarHBondContact O-CB 3.39Å; T150-N154 VanDerWaalsContact O-CG 3.27Å; T150-N154 PolarHBondContact O-N 3.25Å; T150-N154 PolarHBondContact O-ND2 3.48Å
151	S	85.6	Confident	87.6	Confident	45 Å²	45	70.3 Å²	70.3	32%	0.315	36%	0.356	S	S	.	.	H	α-helix	trans	-59.1	-45.2	174.9	-175.4	0	0	0	0	111.6	E147 I148 R153 N154 N155 T159	E147-S151 WeakPolarHBondContact O-CB 3.29Å; E147-S151 PolarHBondContact O-N 3.12Å; I148-S151 WeakPolarHBondContact O-CB 3.4Å; I148-S151 PolarHBondContact O-N 3.48Å; S151-R153 PolarHBondContact O-N 3.12Å; S151-N154 PolarHBondContact O-N 2.78Å; S151-N155 PolarHBondContact O-N 3.39Å; S151-T159 PolarHBondContact O-OG1 3.21Å; S151-T159 WeakPolarHBondContact OG-CG2 3.33Å; S151-T159 PolarHBondContact OG-OG1 2.84Å
152	L	86.1	Confident	87.6	Confident	12 Å²	12	74.6 Å²	74.6	6%	0.063	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-35.5	176.1	-74.7	162.8	0	0	0	113.7	I148 K149 T150 P156 T159 L237 L240	I148-L152 HydrophobicContact CG2-CD1 4.09Å; I148-L152 WeakPolarHBondContact O-CG 3.33Å; I148-L152 PolarHBondContact O-N 3.41Å; K149-L152 PolarHBondContact O-N 2.93Å; T150-L152 PolarHBondContact O-N 3.43Å; L152-P156 VanDerWaalsContact O-CA 3.26Å; L152-P156 WeakPolarHBondContact O-CA 3.12Å; L152-P156 VanDerWaalsContact O-CB 3.31Å; L152-P156 WeakPolarHBondContact O-CB 3.46Å; L152-P156 WeakPolarHBondContact O-CD 3.32Å; L152-T159 HydrophobicContact CD2-CG2 3.74Å; L152-T159 HydrophobicContact CG-CG2 3.83Å; L152-L237 HydrophobicContact CD1-CD2 3.36Å; L152-L237 HydrophobicContact CD2-CD1 4.34Å; L152-L237 HydrophobicContact CD2-CD2 3.43Å; L152-L237 VanDerWaalsContact CD2-CD2 3.43Å; L152-L237 HydrophobicContact CD2-CG 4.43Å; L152-L237 HydrophobicContact CG-CD2 3.98Å; L152-L240 HydrophobicContact CD1-CD1 4.42Å
153	R	89	Confident	87.4	Confident	171 Å²	171	72.3 Å²	72.3	65%	0.645	36%	0.361	S	S	*	.	H	α-helix	trans	-67.7	-40.8	176	-177.5	179.9	-67.5	-173.8	-6	111.4	K149 T150 S151 E244	K149-R153 PolarHBondContact O-N 3.15Å; T150-R153 PolarHBondContact O-N 3.42Å; S151-R153 PolarHBondContact O-N 3.12Å; R153-E244 IonicContact CZ-OE1 3.77Å; R153-E244 IonicContact NH2-OE1 3.63Å; R153-E244 PolarHBondContact NH2-OE1 3.31Å; R153-E244 IonicContact NH2-OE2 2.8Å; R153-E244 PolarHBondContact NH2-OE2 3.02Å
154	N	91	Very high	87.1	Confident	105 Å²	105	70.3 Å²	70.3	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-76	-49.5	-177.1	-67.9	-21	0	0	0	111.7	T150 S151	T150-N154 WeakPolarHBondContact O-CB 3.39Å; T150-N154 VanDerWaalsContact O-CG 3.27Å; T150-N154 PolarHBondContact O-N 3.25Å; T150-N154 PolarHBondContact O-ND2 3.48Å; S151-N154 PolarHBondContact O-N 2.78Å
155	N	91	Very high	86.7	Confident	85 Å²	85	74.7 Å²	74.7	46%	0.455	38%	0.376	S	S	.	.			trans	-135.6	69.7	-173.8	-62.9	-46.5	0	0	0	111.6	S151 N157 E158 T159	S151-N155 PolarHBondContact O-N 3.39Å; N155-N157 VanDerWaalsContact C-N 3.3Å; N155-N157 PolarHBondContact O-N 3.47Å; N155-E158 HydrophobicContact CB-CB 4.02Å; N155-E158 PolarHBondContact O-N 3.15Å; N155-T159 WeakPolarHBondContact O-CB 3.22Å; N155-T159 PolarHBondContact O-N 2.95Å; N155-T159 PolarHBondContact O-OG1 3.48Å
156	P	87.5	Confident	86.3	Confident	67 Å²	67	76.5 Å²	76.5	44%	0.435	39%	0.386	S	S	.	.	H	α-helix	trans	-59.4	-37.9	-171.2	21.2	-32.9	0	0	0	113.6	L152 R160	L152-P156 VanDerWaalsContact O-CA 3.26Å; L152-P156 WeakPolarHBondContact O-CA 3.12Å; L152-P156 VanDerWaalsContact O-CB 3.31Å; L152-P156 WeakPolarHBondContact O-CB 3.46Å; L152-P156 WeakPolarHBondContact O-CD 3.32Å; P156-R160 WeakPolarHBondContact O-CB 3.19Å; P156-R160 PolarHBondContact O-N 3.33Å; P156-R160 VanDerWaalsContact O-N 3.1Å
157	N	87.4	Confident	85.9	Confident	140 Å²	140	74.3 Å²	74.3	75%	0.749	38%	0.381	S	S	*	.	H	α-helix	trans	-72.1	-42.2	-178.7	-65.8	-41.2	0	0	0	111.9	N155 G161	N155-N157 VanDerWaalsContact C-N 3.3Å; N155-N157 PolarHBondContact O-N 3.47Å; N157-G161 PolarHBondContact O-N 2.9Å
158	E	87	Confident	85.6	Confident	135 Å²	135	72.1 Å²	72.1	63%	0.631	37%	0.371	S	S	*	.	H	α-helix	trans	-70.1	-50.2	-179.3	-172.6	-179.4	-173.5	0	0	110.7	N155 R160 G161 F162	N155-E158 HydrophobicContact CB-CB 4.02Å; N155-E158 PolarHBondContact O-N 3.15Å; E158-R160 VanDerWaalsContact C-N 3.25Å; E158-R160 PolarHBondContact O-N 2.83Å; E158-G161 CarbonylContact O-C 3.56Å; E158-G161 WeakPolarHBondContact O-CA 3.07Å; E158-G161 PolarHBondContact O-N 2.93Å; E158-F162 WeakPolarHBondContact O-CB 3.47Å; E158-F162 PolarHBondContact O-N 3.44Å
159	T	85.8	Confident	85.5	Confident	8 Å²	8	73.6 Å²	73.6	5%	0.049	38%	0.379	C	S	.	.	H	α-helix	trans	-61.5	-37.3	178.4	-49.6	0	0	0	0	111.2	S151 L152 N155 F162 L163	S151-T159 PolarHBondContact O-OG1 3.21Å; S151-T159 WeakPolarHBondContact OG-CG2 3.33Å; S151-T159 PolarHBondContact OG-OG1 2.84Å; L152-T159 HydrophobicContact CD2-CG2 3.74Å; L152-T159 HydrophobicContact CG-CG2 3.83Å; N155-T159 WeakPolarHBondContact O-CB 3.22Å; N155-T159 PolarHBondContact O-N 2.95Å; N155-T159 PolarHBondContact O-OG1 3.48Å; T159-F162 PolarHBondContact O-N 2.88Å; T159-L163 HydrophobicContact CG2-CD1 4.2Å; T159-L163 WeakPolarHBondContact O-CB 3.27Å; T159-L163 WeakPolarHBondContact O-CG 3.18Å; T159-L163 PolarHBondContact O-N 3.23Å
160	R	82.8	Confident	85.4	Confident	57 Å²	57	70.9 Å²	70.9	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-66.1	-41.6	173.1	177.7	170.9	169.1	158.9	-7.4	112.4	P156 E158 L163 V164 S228 V234 L237	P156-R160 WeakPolarHBondContact O-CB 3.19Å; P156-R160 PolarHBondContact O-N 3.33Å; P156-R160 VanDerWaalsContact O-N 3.1Å; E158-R160 VanDerWaalsContact C-N 3.25Å; E158-R160 PolarHBondContact O-N 2.83Å; R160-L163 PolarHBondContact O-N 2.73Å; R160-V164 WeakPolarHBondContact O-CB 3.45Å; R160-V164 VanDerWaalsContact O-CG2 3.27Å; R160-V164 WeakPolarHBondContact O-CG2 3.39Å; R160-V164 PolarHBondContact O-N 2.82Å; R160-S228 PolarHBondContact NH2-O 3.46Å; R160-V234 VanDerWaalsContact NE-CG2 3.27Å; R160-L237 HydrophobicContact CB-CD1 3.81Å; R160-L237 HydrophobicContact CG-CD1 3.67Å
161	G	80.3	Confident	85	Confident	28 Å²	28	69.1 Å²	69.1	29%	0.289	36%	0.355	S	S	.	.	H	α-helix	trans	-56.2	-52.8	172.1	0	0	0	0	0	110.8	N157 E158 L163 V164 E165	N157-G161 PolarHBondContact O-N 2.9Å; E158-G161 CarbonylContact O-C 3.56Å; E158-G161 WeakPolarHBondContact O-CA 3.07Å; E158-G161 PolarHBondContact O-N 2.93Å; G161-L163 VanDerWaalsContact C-N 3.3Å; G161-L163 PolarHBondContact O-N 3.39Å; G161-V164 PolarHBondContact O-N 3.38Å; G161-E165 WeakPolarHBondContact O-CG 3.35Å; G161-E165 PolarHBondContact O-N 2.89Å
162	F	85	Confident	85	Confident	94 Å²	94	67.6 Å²	67.6	41%	0.412	35%	0.346	S	S	.	.	H	α-helix	trans	-54.2	-42.7	177.5	177.4	-102.3	0	0	0	113.1	E158 T159 E165 N166 I169	E158-F162 WeakPolarHBondContact O-CB 3.47Å; E158-F162 PolarHBondContact O-N 3.44Å; T159-F162 PolarHBondContact O-N 2.88Å; F162-E165 PolarHBondContact O-N 2.94Å; F162-N166 WeakPolarHBondContact O-CB 3.47Å; F162-N166 PolarHBondContact O-N 2.89Å; F162-N166 PolarHBondContact O-ND2 3.45Å; F162-I169 HydrophobicContact CE1-CD1 3.57Å; F162-I169 HydrophobicContact CE1-CG2 4.42Å; F162-I169 HydrophobicContact CE2-CD1 4.48Å; F162-I169 HydrophobicContact CZ-CD1 3.44Å; F162-I169 VanDerWaalsContact CZ-CD1 3.44Å
163	L	84.7	Confident	85.1	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-74.6	-27.5	178.6	-69.7	171.7	0	0	0	113.9	T159 R160 G161 N166 I169 A170 I173 L237	T159-L163 HydrophobicContact CG2-CD1 4.2Å; T159-L163 WeakPolarHBondContact O-CB 3.27Å; T159-L163 WeakPolarHBondContact O-CG 3.18Å; T159-L163 PolarHBondContact O-N 3.23Å; R160-L163 PolarHBondContact O-N 2.73Å; G161-L163 VanDerWaalsContact C-N 3.3Å; G161-L163 PolarHBondContact O-N 3.39Å; L163-N166 CarbonylContact O-C 3.42Å; L163-I169 HydrophobicContact CD2-CB 4.24Å; L163-I169 HydrophobicContact CD2-CG2 3.76Å; L163-A170 HydrophobicContact CB-CB 4.4Å; L163-A170 HydrophobicContact CD2-CB 4.41Å; L163-I173 HydrophobicContact CD1-CD1 4.32Å; L163-I173 HydrophobicContact CD2-CD1 3.43Å; L163-I173 VanDerWaalsContact CD2-CD1 3.43Å; L163-L237 HydrophobicContact CD1-CD1 4.16Å; L163-L237 HydrophobicContact CD1-CD2 3.51Å; L163-L237 HydrophobicContact CD1-CG 4.21Å
164	V	82.4	Confident	84.8	Confident	53 Å²	53	59.2 Å²	59.2	32%	0.321	31%	0.314	S	S	.	.	H	α-helix	trans	-73.5	-38.4	172.1	168.7	0	0	0	0	110.5	R160 G161	R160-V164 WeakPolarHBondContact O-CB 3.45Å; R160-V164 VanDerWaalsContact O-CG2 3.27Å; R160-V164 WeakPolarHBondContact O-CG2 3.39Å; R160-V164 PolarHBondContact O-N 2.82Å; G161-V164 PolarHBondContact O-N 3.38Å
165	E	81.2	Confident	84.4	Confident	154 Å²	154	55.9 Å²	55.9	72%	0.72	30%	0.296	S	S	*	.	H	α-helix	trans	-71.1	-31	176.1	-69.9	-175.3	103.1	0	0	112.5	G161 F162 P167	G161-E165 WeakPolarHBondContact O-CG 3.35Å; G161-E165 PolarHBondContact O-N 2.89Å; F162-E165 PolarHBondContact O-N 2.94Å; E165-P167 VanDerWaalsContact C-CD 3.44Å; E165-P167 WeakPolarHBondContact O-CD 3.09Å
166	N	81.1	Confident	84.1	Confident	44 Å²	44	51.9 Å²	51.9	24%	0.235	27%	0.274	C	S	.	.			trans	-117	72.6	179.9	-61.6	-83.8	0	0	0	111	F162 L163 Q168 I169 A170	F162-N166 WeakPolarHBondContact O-CB 3.47Å; F162-N166 PolarHBondContact O-N 2.89Å; F162-N166 PolarHBondContact O-ND2 3.45Å; L163-N166 CarbonylContact O-C 3.42Å; N166-Q168 PolarHBondContact O-N 2.88Å; N166-Q168 VanDerWaalsContact O-N 3.13Å; N166-I169 HydrophobicContact CB-CB 4.24Å; N166-I169 HydrophobicContact CB-CD1 3.67Å; N166-I169 HydrophobicContact CB-CG1 3.91Å; N166-I169 WeakPolarHBondContact O-CB 3.2Å; N166-I169 PolarHBondContact O-N 2.89Å; N166-A170 PolarHBondContact O-N 3.27Å
167	P	79.9	Confident	83.9	Confident	66 Å²	66	48.7 Å²	48.7	43%	0.429	25%	0.253	S	S	.	.	H	α-helix	trans	-59.5	-27.1	-177	25.3	-35.9	0	0	0	113.3	E165 I169 A170 L171 L233	E165-P167 VanDerWaalsContact C-CD 3.44Å; E165-P167 WeakPolarHBondContact O-CD 3.09Å; P167-I169 VanDerWaalsContact C-N 3.32Å; P167-I169 PolarHBondContact O-N 2.79Å; P167-A170 PolarHBondContact O-N 3.34Å; P167-L171 WeakPolarHBondContact O-CB 3.38Å; P167-L171 PolarHBondContact O-N 3.15Å; P167-L233 HydrophobicContact CB-CD1 4.02Å
168	Q	82.8	Confident	83.8	Confident	94 Å²	94	43.3 Å²	43.3	44%	0.439	23%	0.226	S	C	.	.	H	α-helix	trans	-62.9	-36.3	174.2	64.9	-79.9	16.5	0	0	112.4	I129 N166 L171 A172	I129-Q168 HydrophobicContact CD1-CB 4.2Å; N166-Q168 PolarHBondContact O-N 2.88Å; N166-Q168 VanDerWaalsContact O-N 3.13Å; Q168-L171 PolarHBondContact O-N 3.23Å; Q168-A172 WeakPolarHBondContact O-CB 3.41Å; Q168-A172 PolarHBondContact O-N 3.46Å
169	I	86.7	Confident	83.6	Confident	46 Å²	46	40 Å²	40	24%	0.236	21%	0.211	C	C	.	.	H	α-helix	trans	-72.2	-41.9	175.7	-59	178.2	0	0	0	109.5	F162 L163 N166 P167 L171 A172 I173	F162-I169 HydrophobicContact CE1-CD1 3.57Å; F162-I169 HydrophobicContact CE1-CG2 4.42Å; F162-I169 HydrophobicContact CE2-CD1 4.48Å; F162-I169 HydrophobicContact CZ-CD1 3.44Å; F162-I169 VanDerWaalsContact CZ-CD1 3.44Å; L163-I169 HydrophobicContact CD2-CB 4.24Å; L163-I169 HydrophobicContact CD2-CG2 3.76Å; N166-I169 HydrophobicContact CB-CB 4.24Å; N166-I169 HydrophobicContact CB-CD1 3.67Å; N166-I169 HydrophobicContact CB-CG1 3.91Å; N166-I169 WeakPolarHBondContact O-CB 3.2Å; N166-I169 PolarHBondContact O-N 2.89Å; P167-I169 VanDerWaalsContact C-N 3.32Å; P167-I169 PolarHBondContact O-N 2.79Å; I169-L171 VanDerWaalsContact C-N 3.27Å; I169-L171 PolarHBondContact O-N 2.83Å; I169-A172 WeakPolarHBondContact O-CB 3.37Å; I169-A172 PolarHBondContact O-N 3.21Å; I169-I173 HydrophobicContact CG2-CD1 3.97Å; I169-I173 WeakPolarHBondContact O-CD1 3.29Å; I169-I173 VanDerWaalsContact O-CG1 3.29Å; I169-I173 WeakPolarHBondContact O-CG1 3.34Å; I169-I173 PolarHBondContact O-N 2.7Å
170	A	84.7	Confident	83.4	Confident	5 Å²	5	40.5 Å²	40.5	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-37.4	175.6	0	0	0	0	0	112.4	L163 N166 P167 L174 L233 N236	L163-A170 HydrophobicContact CB-CB 4.4Å; L163-A170 HydrophobicContact CD2-CB 4.41Å; N166-A170 PolarHBondContact O-N 3.27Å; P167-A170 PolarHBondContact O-N 3.34Å; A170-L174 PolarHBondContact O-N 2.83Å; A170-L233 HydrophobicContact CB-CD1 4.22Å; A170-L233 HydrophobicContact CB-CD2 4.04Å; A170-N236 PolarHBondContact O-ND2 3.4Å
171	L	83.4	Confident	83.2	Confident	38 Å²	38	47.9 Å²	47.9	20%	0.199	24%	0.243	C	C	.	.	H	α-helix	trans	-69.6	-43.3	174.1	-174.4	63	0	0	0	111.7	K126 P167 Q168 I169 I173 L174 D175 L192	K126-L171 HydrophobicContact CD-CD2 4.18Å; K126-L171 HydrophobicContact CG-CD2 3.94Å; P167-L171 WeakPolarHBondContact O-CB 3.38Å; P167-L171 PolarHBondContact O-N 3.15Å; Q168-L171 PolarHBondContact O-N 3.23Å; I169-L171 VanDerWaalsContact C-N 3.27Å; I169-L171 PolarHBondContact O-N 2.83Å; L171-I173 VanDerWaalsContact C-N 3.27Å; L171-I173 PolarHBondContact O-N 3.45Å; L171-L174 HydrophobicContact CD1-CD2 4.49Å; L171-L174 WeakPolarHBondContact O-CB 3.42Å; L171-L174 PolarHBondContact O-N 3.14Å; L171-D175 PolarHBondContact O-N 3Å; L171-L192 HydrophobicContact CD1-CD2 3.53Å
172	A	85.5	Confident	83	Confident	13 Å²	13	50.9 Å²	50.9	11%	0.107	25%	0.25	C	C	.	.	H	α-helix	trans	-58.4	-39.8	175.2	0	0	0	0	0	112	I129 L133 Q168 I169 L174 D175 A176	I129-A172 HydrophobicContact CG2-CB 3.73Å; L133-A172 HydrophobicContact CD1-CB 4.13Å; L133-A172 WeakPolarHBondContact CD1-O 3.33Å; Q168-A172 WeakPolarHBondContact O-CB 3.41Å; Q168-A172 PolarHBondContact O-N 3.46Å; I169-A172 WeakPolarHBondContact O-CB 3.37Å; I169-A172 PolarHBondContact O-N 3.21Å; A172-L174 VanDerWaalsContact C-N 3.34Å; A172-D175 PolarHBondContact O-N 3.49Å; A172-A176 VanDerWaalsContact O-CB 3.24Å; A172-A176 WeakPolarHBondContact O-CB 2.95Å; A172-A176 PolarHBondContact O-N 3.43Å
173	I	87.2	Confident	82.6	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-39	175.3	-67.9	157.8	0	0	0	111.3	F144 L145 I148 L163 I169 L171 S177 L240	F144-I173 HydrophobicContact CE1-CG1 3.87Å; F144-I173 HydrophobicContact CZ-CG1 3.74Å; L145-I173 HydrophobicContact CD2-CG2 3.99Å; I148-I173 HydrophobicContact CD1-CD1 4.14Å; I148-I173 HydrophobicContact CG1-CD1 4.03Å; I148-I173 HydrophobicContact CG1-CG1 4.21Å; I148-I173 HydrophobicContact CG2-CD1 3.79Å; I148-I173 HydrophobicContact CG2-CG1 4.42Å; L163-I173 HydrophobicContact CD1-CD1 4.32Å; L163-I173 HydrophobicContact CD2-CD1 3.43Å; L163-I173 VanDerWaalsContact CD2-CD1 3.43Å; I169-I173 HydrophobicContact CG2-CD1 3.97Å; I169-I173 WeakPolarHBondContact O-CD1 3.29Å; I169-I173 VanDerWaalsContact O-CG1 3.29Å; I169-I173 WeakPolarHBondContact O-CG1 3.34Å; I169-I173 PolarHBondContact O-N 2.7Å; L171-I173 VanDerWaalsContact C-N 3.27Å; L171-I173 PolarHBondContact O-N 3.45Å; I173-S177 VanDerWaalsContact O-CB 3.29Å; I173-S177 WeakPolarHBondContact O-CB 3.14Å; I173-S177 PolarHBondContact O-N 3.43Å; I173-S177 PolarHBondContact O-OG 2.96Å; I173-L240 HydrophobicContact CG2-CD1 3.61Å; I173-L240 HydrophobicContact CG2-CD2 4.48Å
174	L	84.2	Confident	82.3	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-49.3	175.8	-175.1	65	0	0	0	110.8	A170 L171 A172 S177 V178 I183 A188 L191 L192 N236	A170-L174 PolarHBondContact O-N 2.83Å; L171-L174 HydrophobicContact CD1-CD2 4.49Å; L171-L174 WeakPolarHBondContact O-CB 3.42Å; L171-L174 PolarHBondContact O-N 3.14Å; A172-L174 VanDerWaalsContact C-N 3.34Å; L174-S177 WeakPolarHBondContact O-CB 3.43Å; L174-S177 PolarHBondContact O-N 3.16Å; L174-S177 VanDerWaalsContact O-N 3.17Å; L174-V178 WeakPolarHBondContact O-CG2 3.12Å; L174-V178 PolarHBondContact O-N 3.35Å; L174-I183 HydrophobicContact CD1-CD1 4.4Å; L174-A188 HydrophobicContact CD1-CB 3.75Å; L174-A188 HydrophobicContact CD2-CB 4.22Å; L174-A188 HydrophobicContact CG-CB 4.03Å; L174-L191 HydrophobicContact CD1-CD1 4.1Å; L174-L192 HydrophobicContact CD2-CD1 3.79Å; L174-L192 HydrophobicContact CD2-CD2 3.89Å; L174-L192 HydrophobicContact CD2-CG 3.65Å; L174-N236 WeakPolarHBondContact CD1-OD1 3.08Å
175	D	82.5	Confident	82	Confident	35 Å²	35	56 Å²	56	19%	0.187	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-47.8	177.8	-81.9	2.2	0	0	0	111.1	S130 L133 L171 A172 S177 V178 I179	S130-D175 PolarHBondContact OG-OD2 3.38Å; L133-D175 HydrophobicContact CD1-CB 3.73Å; L171-D175 PolarHBondContact O-N 3Å; A172-D175 PolarHBondContact O-N 3.49Å; D175-S177 VanDerWaalsContact C-N 3.29Å; D175-S177 PolarHBondContact O-N 3.24Å; D175-V178 PolarHBondContact O-N 3.14Å; D175-V178 VanDerWaalsContact O-N 3.12Å; D175-I179 VanDerWaalsContact O-CG1 3.27Å; D175-I179 WeakPolarHBondContact O-CG1 3.38Å; D175-I179 PolarHBondContact O-N 2.82Å
176	A	85.1	Confident	81.6	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-40.6	175.4	0	0	0	0	0	111.9	L133 L141 F144 L145 A172 V178 I179 C180	L133-A176 HydrophobicContact CD1-CB 4.41Å; L133-A176 HydrophobicContact CD2-CB 4.37Å; L141-A176 HydrophobicContact CD2-CB 4.16Å; F144-A176 HydrophobicContact CD1-CB 4.35Å; F144-A176 HydrophobicContact CE1-CB 4.39Å; L145-A176 HydrophobicContact CD1-CB 4.45Å; L145-A176 HydrophobicContact CD2-CB 4.09Å; L145-A176 HydrophobicContact CG-CB 4.32Å; A172-A176 VanDerWaalsContact O-CB 3.24Å; A172-A176 WeakPolarHBondContact O-CB 2.95Å; A172-A176 PolarHBondContact O-N 3.43Å; A176-V178 VanDerWaalsContact C-N 3.32Å; A176-V178 PolarHBondContact O-N 2.82Å; A176-I179 PolarHBondContact O-N 3.23Å; A176-C180 WeakPolarHBondContact O-CB 3.48Å; A176-C180 PolarHBondContact O-N 2.89Å; A176-C180 PolarHBondContact O-SG 2.83Å; A176-C180 VanDerWaalsContact O-SG 3.37Å
177	S	83.2	Confident	81.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.9	-33.7	177.6	-60.3	0	0	0	0	112.5	I173 L174 D175 R181 Q182 I183	I173-S177 VanDerWaalsContact O-CB 3.29Å; I173-S177 WeakPolarHBondContact O-CB 3.14Å; I173-S177 PolarHBondContact O-N 3.43Å; I173-S177 PolarHBondContact O-OG 2.96Å; L174-S177 WeakPolarHBondContact O-CB 3.43Å; L174-S177 PolarHBondContact O-N 3.16Å; L174-S177 VanDerWaalsContact O-N 3.17Å; D175-S177 VanDerWaalsContact C-N 3.29Å; D175-S177 PolarHBondContact O-N 3.24Å; S177-R181 PolarHBondContact O-N 3.3Å; S177-Q182 PolarHBondContact O-N 3.17Å; S177-I183 PolarHBondContact O-N 2.88Å
178	V	83.4	Confident	80.8	Confident	27 Å²	27	51.8 Å²	51.8	16%	0.164	26%	0.256	C	S	.	.	H	α-helix	trans	-72.5	-43.9	173.8	174.9	0	0	0	0	111.1	L174 D175 A176 C180 R181 Q185 A188	L174-V178 WeakPolarHBondContact O-CG2 3.12Å; L174-V178 PolarHBondContact O-N 3.35Å; D175-V178 PolarHBondContact O-N 3.14Å; D175-V178 VanDerWaalsContact O-N 3.12Å; A176-V178 VanDerWaalsContact C-N 3.32Å; A176-V178 PolarHBondContact O-N 2.82Å; V178-C180 VanDerWaalsContact C-N 3.35Å; V178-C180 PolarHBondContact O-N 3.44Å; V178-R181 PolarHBondContact O-N 3.2Å; V178-Q185 HydrophobicContact CG1-CB 4.42Å; V178-A188 HydrophobicContact CG2-CB 3.49Å; V178-A188 VanDerWaalsContact CG2-CB 3.49Å
179	I	83.9	Confident	80.2	Confident	65 Å²	65	51.3 Å²	51.3	33%	0.333	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-44.8	176.8	-67.1	163.7	0	0	0	110.5	L133 I134 L141 D175 A176 R181	L133-I179 HydrophobicContact CB-CD1 3.75Å; I134-I179 HydrophobicContact CG1-CD1 3.88Å; I134-I179 HydrophobicContact CG1-CG1 4.47Å; L141-I179 HydrophobicContact CD1-CG2 3.75Å; D175-I179 VanDerWaalsContact O-CG1 3.27Å; D175-I179 WeakPolarHBondContact O-CG1 3.38Å; D175-I179 PolarHBondContact O-N 2.82Å; A176-I179 PolarHBondContact O-N 3.23Å; I179-R181 PolarHBondContact O-N 2.89Å
180	C	81.5	Confident	79.3	Confident	20 Å²	20	52.5 Å²	52.5	14%	0.135	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	2.9	176.3	-66.5	0	0	0	0	114.2	L145 A176 V178 Q182	L145-C180 HydrophobicContact CD1-CB 4.07Å; A176-C180 WeakPolarHBondContact O-CB 3.48Å; A176-C180 PolarHBondContact O-N 2.89Å; A176-C180 PolarHBondContact O-SG 2.83Å; A176-C180 VanDerWaalsContact O-SG 3.37Å; V178-C180 VanDerWaalsContact C-N 3.35Å; V178-C180 PolarHBondContact O-N 3.44Å; C180-Q182 HydrophobicContact CB-CG 4.21Å; C180-Q182 PolarHBondContact O-N 2.71Å
181	R	79.5	Confident	78.6	Confident	212 Å²	212	53.7 Å²	53.7	80%	0.8	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	26.3	-179	-57	-67	-167.5	-168	-0.3	114.2	S177 V178 I179	S177-R181 PolarHBondContact O-N 3.3Å; V178-R181 PolarHBondContact O-N 3.2Å; I179-R181 PolarHBondContact O-N 2.89Å
182	Q	75.2	Confident	77.7	Confident	90 Å²	90	55.6 Å²	55.6	42%	0.421	28%	0.284	S	S	.	.	S	Bend	trans	-79.1	-27	171.9	-62.1	-125.6	-72.5	0	0	111.6	S177 C180	S177-Q182 PolarHBondContact O-N 3.17Å; C180-Q182 HydrophobicContact CB-CG 4.21Å; C180-Q182 PolarHBondContact O-N 2.71Å
183	I	77.4	Confident	76.2	Confident	11 Å²	11	62 Å²	62	6%	0.056	31%	0.311	C	S	.	.	S	Bend	trans	-131.8	134.8	-179	-59.6	178.8	0	0	0	109.1	L174 S177 T187 A188	L174-I183 HydrophobicContact CD1-CD1 4.4Å; S177-I183 PolarHBondContact O-N 2.88Å; I183-T187 HydrophobicContact CG2-CG2 4.14Å; I183-A188 HydrophobicContact CG2-CB 4.18Å
184	D	76.8	Confident	74.5	Confident	120 Å²	120	69 Å²	69	64%	0.642	34%	0.342	S	S	*	.			trans	-68.2	143.7	172.3	-62.9	-77.4	0	0	0	111.8	N186 T187 A188	D184-N186 PolarHBondContact O-N 2.81Å; D184-T187 WeakPolarHBondContact O-CA 3.38Å; D184-T187 WeakPolarHBondContact O-CB 3.43Å; D184-T187 PolarHBondContact O-N 2.83Å; D184-A188 PolarHBondContact O-N 2.78Å
185	Q	76.2	Confident	72.3	Confident	130 Å²	130	73.7 Å²	73.7	61%	0.607	37%	0.373	S	S	*	.	H	α-helix	trans	-56.2	-38.5	179.1	-171.1	176.5	12.5	0	0	112.5	V178 A188 L189	V178-Q185 HydrophobicContact CG1-CB 4.42Å; Q185-A188 PolarHBondContact O-N 2.81Å; Q185-L189 HydrophobicContact CG-CD1 4.39Å; Q185-L189 WeakPolarHBondContact O-CB 3.41Å; Q185-L189 VanDerWaalsContact O-CG 3.29Å; Q185-L189 WeakPolarHBondContact O-CG 3.26Å; Q185-L189 PolarHBondContact O-N 2.89Å
186	N	73.2	Confident	70.1	Confident	132 Å²	132	78.1 Å²	78.1	71%	0.706	39%	0.388	S	S	*	.	H	α-helix	trans	-64.6	-41.4	177	-67.3	-43.2	0	0	0	112	D184 L189 S190	D184-N186 PolarHBondContact O-N 2.81Å; N186-L189 PolarHBondContact O-N 2.82Å; N186-S190 PolarHBondContact O-N 3.5Å
187	T	73.9	Confident	67.8	Low	37 Å²	37	81.5 Å²	81.5	23%	0.227	41%	0.412	C	S	.	.	H	α-helix	trans	-64.5	-44.7	175.7	-54.2	0	0	0	0	110	I183 D184 L189 S190 L191 Y239	I183-T187 HydrophobicContact CG2-CG2 4.14Å; D184-T187 WeakPolarHBondContact O-CA 3.38Å; D184-T187 WeakPolarHBondContact O-CB 3.43Å; D184-T187 PolarHBondContact O-N 2.83Å; T187-L189 PolarHBondContact O-N 3.24Å; T187-S190 WeakPolarHBondContact O-CB 3.48Å; T187-S190 PolarHBondContact O-N 3.24Å; T187-S190 VanDerWaalsContact O-N 3.16Å; T187-S190 PolarHBondContact O-OG 3.05Å; T187-L191 WeakPolarHBondContact O-CG 3.34Å; T187-L191 PolarHBondContact O-N 3Å; T187-Y239 HydrophobicContact CG2-CE1 4.46Å
188	A	71.4	Confident	65.8	Low	5 Å²	5	90.2 Å²	90.2	4%	0.041	44%	0.444	C	S	.	.	H	α-helix	trans	-60	-45	175.9	0	0	0	0	0	112.7	L174 V178 I183 D184 Q185 S190 L191 L192	L174-A188 HydrophobicContact CD1-CB 3.75Å; L174-A188 HydrophobicContact CD2-CB 4.22Å; L174-A188 HydrophobicContact CG-CB 4.03Å; V178-A188 HydrophobicContact CG2-CB 3.49Å; V178-A188 VanDerWaalsContact CG2-CB 3.49Å; I183-A188 HydrophobicContact CG2-CB 4.18Å; D184-A188 PolarHBondContact O-N 2.78Å; Q185-A188 PolarHBondContact O-N 2.81Å; A188-S190 VanDerWaalsContact C-N 3.27Å; A188-S190 PolarHBondContact O-N 2.84Å; A188-L191 WeakPolarHBondContact O-CB 3.31Å; A188-L191 PolarHBondContact O-N 3.31Å; A188-L192 PolarHBondContact O-N 2.94Å
189	L	70	Confident	63.9	Low	84 Å²	84	93.6 Å²	93.6	44%	0.44	47%	0.465	S	S	.	.	H	α-helix	trans	-61.3	-36.5	175.5	-71.9	173.6	0	0	0	112.2	Q185 N186 T187 L191 L192 H193	Q185-L189 HydrophobicContact CG-CD1 4.39Å; Q185-L189 WeakPolarHBondContact O-CB 3.41Å; Q185-L189 VanDerWaalsContact O-CG 3.29Å; Q185-L189 WeakPolarHBondContact O-CG 3.26Å; Q185-L189 PolarHBondContact O-N 2.89Å; N186-L189 PolarHBondContact O-N 2.82Å; T187-L189 PolarHBondContact O-N 3.24Å; L189-L191 PolarHBondContact O-N 3.38Å; L189-L192 HydrophobicContact CD2-CD1 4.37Å; L189-L192 PolarHBondContact O-N 3.41Å; L189-H193 PolarHBondContact O-N 2.87Å
190	S	68	Low	61.9	Low	72 Å²	72	96.1 Å²	96.1	50%	0.503	48%	0.479	S	S	.	.	H	α-helix	trans	-66.1	-24.8	176.1	82.2	0	0	0	0	113.3	N186 T187 A188	N186-S190 PolarHBondContact O-N 3.5Å; T187-S190 WeakPolarHBondContact O-CB 3.48Å; T187-S190 PolarHBondContact O-N 3.24Å; T187-S190 VanDerWaalsContact O-N 3.16Å; T187-S190 PolarHBondContact O-OG 3.05Å; A188-S190 VanDerWaalsContact C-N 3.27Å; A188-S190 PolarHBondContact O-N 2.84Å
191	L	68.7	Low	60.2	Low	29 Å²	29	98.1 Å²	98.1	15%	0.152	49%	0.489	C	S	.	.	H	α-helix	trans	-80.2	-32	175.8	-64.1	172.6	0	0	0	112.2	L174 T187 A188 L189 A235	L174-L191 HydrophobicContact CD1-CD1 4.1Å; T187-L191 WeakPolarHBondContact O-CG 3.34Å; T187-L191 PolarHBondContact O-N 3Å; A188-L191 WeakPolarHBondContact O-CB 3.31Å; A188-L191 PolarHBondContact O-N 3.31Å; L189-L191 PolarHBondContact O-N 3.38Å; L191-A235 HydrophobicContact CD2-CB 3.89Å
192	L	65.3	Low	58.4	Low	79 Å²	79	92.9 Å²	92.9	41%	0.414	48%	0.476	S	S	.	.	H	α-helix	trans	-72.8	-27.7	-178	-74.3	161.3	0	0	0	113.2	L171 L174 A188 L189	L171-L192 HydrophobicContact CD1-CD2 3.53Å; L174-L192 HydrophobicContact CD2-CD1 3.79Å; L174-L192 HydrophobicContact CD2-CD2 3.89Å; L174-L192 HydrophobicContact CD2-CG 3.65Å; A188-L192 PolarHBondContact O-N 2.94Å; L189-L192 HydrophobicContact CD2-CD1 4.37Å; L189-L192 PolarHBondContact O-N 3.41Å
193	H	54.5	Low	57.2	Low	146 Å²	146	91.4 Å²	91.4	68%	0.676	48%	0.479	S	S	*	.			trans	-115.6	73	-173.6	-64.2	173	0	0	0	112.6	L189	L189-H193 PolarHBondContact O-N 2.87Å
194	K	50.2	Low	55.8	Low	149 Å²	149	97 Å²	97	65%	0.648	50%	0.503	S	S	*	.			trans	-111.9	94.3	147.4	-79.8	178.8	-178.5	172.9	0	107.1	Y196 P232	K194-Y196 VanDerWaalsContact C-N 3.34Å; K194-Y196 PolarHBondContact O-N 3.19Å; K194-P232 HydrophobicContact CB-CB 4.43Å
195	P	39.4	Very low	54.1	Low	104 Å²	104	96.4 Å²	96.4	68%	0.675	50%	0.496	S	S	*	.			trans	-53.5	112.8	161.3	23.4	-30.6	0	0	0	105.3	S197	P195-S197 PolarHBondContact O-N 3.34Å; P195-S197 PolarHBondContact O-OG 3.46Å; P195-S197 VanDerWaalsContact O-OG 3.11Å
196	Y	35.6	Very low	52.8	Low	129 Å²	129	94 Å²	94	51%	0.506	49%	0.486	S	S	.	.			trans	-53.2	97.5	177.5	-176.7	-90.6	0	0	0	106.3	K194 R198	K194-Y196 VanDerWaalsContact C-N 3.34Å; K194-Y196 PolarHBondContact O-N 3.19Å; Y196-R198 HydrophobicContact CD1-CG 3.88Å; Y196-R198 HydrophobicContact CE1-CG 3.78Å; Y196-R198 PolarHBondContact O-N 2.88Å
197	S	36.1	Very low	52.3	Low	71 Å²	71	94.5 Å²	94.5	50%	0.497	49%	0.485	S	S	.	.			trans	-77.5	82.4	-174.4	-69.2	0	0	0	0	106	P195 T199 N200	P195-S197 PolarHBondContact O-N 3.34Å; P195-S197 PolarHBondContact O-OG 3.46Å; P195-S197 VanDerWaalsContact O-OG 3.11Å; S197-T199 PolarHBondContact O-N 2.79Å; S197-N200 PolarHBondContact O-N 3.24Å
198	R	41.1	Very low	51.2	Low	182 Å²	182	97.3 Å²	97.3	69%	0.687	50%	0.499	S	S	*	.	H	α-helix	trans	-48.1	-20	170.1	-99.5	-170.6	-171.1	178	3.7	112.2	Y196 N200 L202	Y196-R198 HydrophobicContact CD1-CG 3.88Å; Y196-R198 HydrophobicContact CE1-CG 3.78Å; Y196-R198 PolarHBondContact O-N 2.88Å; R198-N200 VanDerWaalsContact C-N 3.32Å; R198-N200 PolarHBondContact O-N 2.88Å; R198-L202 WeakPolarHBondContact O-CB 3.26Å; R198-L202 PolarHBondContact O-N 2.8Å
199	T	43.7	Very low	50.1	Low	98 Å²	98	102 Å²	102	60%	0.601	52%	0.52	S	S	*	.	H	α-helix	trans	-59.7	-36.5	179.5	51.5	0	0	0	0	113.2	S197 A203	S197-T199 PolarHBondContact O-N 2.79Å; T199-A203 VanDerWaalsContact O-CB 3.29Å; T199-A203 WeakPolarHBondContact O-CB 3.41Å; T199-A203 PolarHBondContact O-N 3.31Å; T199-A203 VanDerWaalsContact O-N 3.1Å
200	N	43.4	Very low	49.5	Very low	118 Å²	118	105.9 Å²	105.9	63%	0.631	53%	0.534	S	S	*	.	H	α-helix	trans	-78.5	-36.1	-177	-83.2	-0.2	0	0	0	113.6	S197 R198 K204	S197-N200 PolarHBondContact O-N 3.24Å; R198-N200 VanDerWaalsContact C-N 3.32Å; R198-N200 PolarHBondContact O-N 2.88Å; N200-K204 PolarHBondContact O-N 3.48Å
201	D	44.5	Very low	48.8	Very low	63 Å²	63	106 Å²	106	34%	0.337	54%	0.535	S	S	.	.	H	α-helix	trans	-82	-30.6	177.1	-73	-61.4	0	0	0	111.4	K204 H205 R230	D201-K204 PolarHBondContact O-N 3.14Å; D201-H205 WeakPolarHBondContact O-CB 2.98Å; D201-H205 PolarHBondContact O-N 3.32Å; D201-R230 IonicContact OD1-NH1 3.14Å; D201-R230 PolarHBondContact OD1-NH1 3.37Å; D201-R230 VanDerWaalsContact OD1-NH1 3.14Å; D201-R230 IonicContact OD2-NH1 3.22Å; D201-R230 PolarHBondContact OD2-NH1 3.11Å
202	L	41.9	Very low	47.7	Very low	102 Å²	102	110.6 Å²	110.6	53%	0.534	56%	0.559	S	S	.	*	H	α-helix	trans	-68.8	-39.3	173.1	-167.2	71.4	0	0	0	111.9	R198 H205 I206	R198-L202 WeakPolarHBondContact O-CB 3.26Å; R198-L202 PolarHBondContact O-N 2.8Å; L202-H205 PolarHBondContact O-N 3.2Å; L202-I206 HydrophobicContact CD2-CD1 4.29Å; L202-I206 HydrophobicContact CG-CD1 3.87Å; L202-I206 HydrophobicContact CG-CG1 4.34Å; L202-I206 WeakPolarHBondContact O-CB 3.19Å; L202-I206 VanDerWaalsContact O-CG1 3.23Å; L202-I206 WeakPolarHBondContact O-CG1 3.05Å; L202-I206 PolarHBondContact O-N 2.83Å
203	A	49.6	Very low	46.8	Very low	58 Å²	58	111.7 Å²	111.7	48%	0.479	57%	0.573	S	S	.	*	H	α-helix	trans	-60.9	-45.6	174.9	0	0	0	0	0	111.3	T199 I206 E207	T199-A203 VanDerWaalsContact O-CB 3.29Å; T199-A203 WeakPolarHBondContact O-CB 3.41Å; T199-A203 PolarHBondContact O-N 3.31Å; T199-A203 VanDerWaalsContact O-N 3.1Å; A203-I206 PolarHBondContact O-N 2.89Å; A203-E207 WeakPolarHBondContact O-CB 3.45Å; A203-E207 PolarHBondContact O-N 2.98Å
204	K	49.4	Very low	46.3	Very low	128 Å²	128	112.7 Å²	112.7	56%	0.557	58%	0.578	S	S	*	*	H	α-helix	trans	-66.4	-36	174.7	-76.1	-175.1	175.3	-172.1	0	113	N200 D201 E207 N208	N200-K204 PolarHBondContact O-N 3.48Å; D201-K204 PolarHBondContact O-N 3.14Å; K204-E207 PolarHBondContact O-N 3Å; K204-N208 WeakPolarHBondContact O-CB 3.14Å; K204-N208 PolarHBondContact O-N 3.33Å
205	H	41	Very low	45.5	Very low	108 Å²	108	113.9 Å²	113.9	50%	0.5	59%	0.586	S	S	.	*	H	α-helix	trans	-71.5	-35	177.8	-161.9	71.9	0	0	0	111.9	D201 L202 M209	D201-H205 WeakPolarHBondContact O-CB 2.98Å; D201-H205 PolarHBondContact O-N 3.32Å; L202-H205 PolarHBondContact O-N 3.2Å; H205-M209 VanDerWaalsContact CD2-CE 3.5Å; H205-M209 WeakPolarHBondContact CD2-CE 3.36Å; H205-M209 WeakPolarHBondContact O-CB 3.35Å; H205-M209 WeakPolarHBondContact O-CG 3.26Å; H205-M209 PolarHBondContact O-N 3.25Å
206	I	49.3	Very low	45.3	Very low	79 Å²	79	114.7 Å²	114.7	41%	0.405	59%	0.591	S	S	.	*	H	α-helix	trans	-69.6	-39.1	172.6	-69.1	167.8	0	0	0	110.8	L202 A203 M209 K210	L202-I206 HydrophobicContact CD2-CD1 4.29Å; L202-I206 HydrophobicContact CG-CD1 3.87Å; L202-I206 HydrophobicContact CG-CG1 4.34Å; L202-I206 WeakPolarHBondContact O-CB 3.19Å; L202-I206 VanDerWaalsContact O-CG1 3.23Å; L202-I206 WeakPolarHBondContact O-CG1 3.05Å; L202-I206 PolarHBondContact O-N 2.83Å; A203-I206 PolarHBondContact O-N 2.89Å; I206-M209 HydrophobicContact CG1-CE 4.29Å; I206-M209 PolarHBondContact O-N 3.09Å; I206-K210 PolarHBondContact O-N 3.37Å
207	E	60.7	Low	45.1	Very low	144 Å²	144	113.9 Å²	113.9	67%	0.673	61%	0.605	S	S	*	*	H	α-helix	trans	-64.5	-41.6	175	-163.1	171.2	-164.3	0	0	111.3	A203 K204 K210 S211	A203-E207 WeakPolarHBondContact O-CB 3.45Å; A203-E207 PolarHBondContact O-N 2.98Å; K204-E207 PolarHBondContact O-N 3Å; E207-K210 PolarHBondContact O-N 3.48Å; E207-S211 PolarHBondContact O-N 2.94Å
208	N	52.7	Low	44.9	Very low	96 Å²	96	119.1 Å²	119.1	51%	0.513	62%	0.621	S	S	.	*	H	α-helix	trans	-69.7	-35.3	172.8	-86.9	-22	0	0	0	113.4	K204 K210 S211 L212	K204-N208 WeakPolarHBondContact O-CB 3.14Å; K204-N208 PolarHBondContact O-N 3.33Å; N208-K210 VanDerWaalsContact C-N 3.28Å; N208-K210 PolarHBondContact O-N 2.99Å; N208-S211 WeakPolarHBondContact CA-OG 3.29Å; N208-S211 PolarHBondContact O-N 3.34Å; N208-S211 PolarHBondContact O-OG 2.75Å; N208-L212 WeakPolarHBondContact O-CB 3.49Å; N208-L212 WeakPolarHBondContact O-CD1 3.3Å; N208-L212 PolarHBondContact O-N 3.02Å
209	M	48.2	Very low	44.2	Very low	102 Å²	102	122.4 Å²	122.4	50%	0.502	63%	0.633	S	S	.	*	H	α-helix	trans	-68.3	-29.1	174.9	-81.9	-169	-67	0	0	112.3	H205 I206 L212 S213	H205-M209 VanDerWaalsContact CD2-CE 3.5Å; H205-M209 WeakPolarHBondContact CD2-CE 3.36Å; H205-M209 WeakPolarHBondContact O-CB 3.35Å; H205-M209 WeakPolarHBondContact O-CG 3.26Å; H205-M209 PolarHBondContact O-N 3.25Å; I206-M209 HydrophobicContact CG1-CE 4.29Å; I206-M209 PolarHBondContact O-N 3.09Å; M209-L212 PolarHBondContact O-N 3.02Å; M209-S213 PolarHBondContact O-N 3.34Å
210	K	56.4	Low	43.5	Very low	166 Å²	166	122.3 Å²	122.3	72%	0.722	64%	0.637	S	S	*	*	H	α-helix	trans	-72.1	-28.4	172.1	-80.8	-173.5	177.5	-175.3	0	113.1	I206 E207 N208	I206-K210 PolarHBondContact O-N 3.37Å; E207-K210 PolarHBondContact O-N 3.48Å; N208-K210 VanDerWaalsContact C-N 3.28Å; N208-K210 PolarHBondContact O-N 2.99Å
211	S	54.5	Low	43.1	Very low	75 Å²	75	123 Å²	123	52%	0.524	65%	0.648	S	S	.	*	H	α-helix	trans	-83	-21.1	173.7	61.8	0	0	0	0	113.2	E207 N208	E207-S211 PolarHBondContact O-N 2.94Å; N208-S211 WeakPolarHBondContact CA-OG 3.29Å; N208-S211 PolarHBondContact O-N 3.34Å; N208-S211 PolarHBondContact O-OG 2.75Å
212	L	45.4	Very low	42.4	Very low	125 Å²	125	125.6 Å²	125.6	65%	0.654	67%	0.666	S	S	*	*	H	α-helix	trans	-90.6	-4	-179.7	-85.4	151.3	0	0	0	114.9	N208 M209 E214	N208-L212 WeakPolarHBondContact O-CB 3.49Å; N208-L212 WeakPolarHBondContact O-CD1 3.3Å; N208-L212 PolarHBondContact O-N 3.02Å; M209-L212 PolarHBondContact O-N 3.02Å; L212-E214 PolarHBondContact O-N 3.45Å
213	S	45.4	Very low	41.7	Very low	102 Å²	102	128.4 Å²	128.4	71%	0.713	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-0.7	171.4	66.2	0	0	0	0	113.8	M209	M209-S213 PolarHBondContact O-N 3.34Å
214	E	43.7	Very low	40.7	Very low	167 Å²	167	135.3 Å²	135.3	78%	0.78	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	54.5	169.4	-67.8	-169.7	116.3	0	0	111.7	L212	L212-E214 PolarHBondContact O-N 3.45Å
215	Q	33.1	Very low	39.7	Very low	175 Å²	175	138.6 Å²	138.6	82%	0.818	72%	0.716	S	S	*	*	S	Bend	trans	-164.2	130.6	149.4	-109.5	158.1	47.1	0	0	114
216	P	36.1	Very low	39.1	Very low	120 Å²	120	142.4 Å²	142.4	78%	0.779	73%	0.734	S	S	*	*			trans	-79.2	139.6	-175.9	30	-31.6	0	0	0	112.6
217	S	31.5	Very low	38.3	Very low	113 Å²	113	144.4 Å²	144.4	79%	0.79	75%	0.75	S	S	*	*			trans	26.9	111.2	150.1	-66.2	0	0	0	0	117.6
218	Q	31	Very low	37.1	Very low	180 Å²	180	141.5 Å²	141.5	84%	0.841	75%	0.746	S	S	*	*				161.2	115.7	110.2	-84.3	-166.2	1.8	0	0	109.1
219	R	27.4	Very low	36.2	Very low	251 Å²	251	141.1 Å²	141.1	95%	0.947	76%	0.756	S	S	*	*			trans	178.3	153	136	-97.2	166.2	-156.9	-147.2	7.9	112.6
220	S	28.3	Very low	35.6	Very low	97 Å²	97	143.6 Å²	143.6	68%	0.678	76%	0.76	S	S	*	*			trans	-72.1	154.2	-168.3	45.6	0	0	0	0	114.9	T222	S220-T222 PolarHBondContact O-N 2.91Å
221	P	36	Very low	34.7	Very low	132 Å²	132	139.1 Å²	139.1	86%	0.857	74%	0.743	S	S	*	*			trans	-86.4	91.6	-173.3	33.8	-32.3	0	0	0	111.8
222	T	28.5	Very low	34.2	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.724	73%	0.73	S	S	*	*			trans	-141.7	76.4	160.1	40.2	0	0	0	0	108.1	S220	S220-T222 PolarHBondContact O-N 2.91Å
223	D	28.3	Very low	34	Very low	160 Å²	160	133.9 Å²	133.9	86%	0.856	71%	0.712	S	S	*	*			trans	-166	78.4	158.8	-92.4	-46.1	0	0	0	108.3
224	F	28.8	Very low	34	Very low	204 Å²	204	129.5 Å²	129.5	90%	0.895	68%	0.681	S	S	*	*			trans	-114.6	52.7	166.7	-150.6	-90.2	0	0	0	108.6
225	F	27.6	Very low	34.2	Very low	197 Å²	197	123.2 Å²	123.2	86%	0.864	66%	0.658	S	S	*	*			trans	-134.9	54.6	178	-88.9	-72	0	0	0	111.4
226	E	29	Very low	34.7	Very low	188 Å²	188	115.3 Å²	115.3	88%	0.879	62%	0.621	S	S	*	*			trans	-157.9	68.7	163.1	-132.4	168.5	154.8	0	0	114.5
227	T	32.5	Very low	35.3	Very low	121 Å²	121	110.2 Å²	110.2	74%	0.742	59%	0.587	S	S	*	*			trans	-153.2	53.7	159.7	-32.4	0	0	0	0	113.1
228	S	34.1	Very low	36.1	Very low	83 Å²	83	109.1 Å²	109.1	58%	0.58	57%	0.573	S	S	*	*			trans	-100.3	-5.4	175.5	-172.2	0	0	0	0	114.3	R160 R230	R160-S228 PolarHBondContact NH2-O 3.46Å; S228-R230 VanDerWaalsContact C-N 3.34Å; S228-R230 PolarHBondContact O-N 3.39Å
229	A	34.1	Very low	37	Very low	88 Å²	88	106 Å²	106	73%	0.727	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	4.2	-174.8	0	0	0	0	0	116
230	R	35.8	Very low	37.9	Very low	154 Å²	154	94.6 Å²	94.6	58%	0.581	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	26.5	-171.4	-71.2	-170.6	179.6	166.9	5.7	116	D201 S228	D201-R230 IonicContact OD1-NH1 3.14Å; D201-R230 PolarHBondContact OD1-NH1 3.37Å; D201-R230 VanDerWaalsContact OD1-NH1 3.14Å; D201-R230 IonicContact OD2-NH1 3.22Å; D201-R230 PolarHBondContact OD2-NH1 3.11Å; S228-R230 VanDerWaalsContact C-N 3.34Å; S228-R230 PolarHBondContact O-N 3.39Å
231	N	38.6	Very low	38.8	Very low	71 Å²	71	93.7 Å²	93.7	38%	0.38	50%	0.502	S	S	.	.			trans	-87.2	125.5	170.8	-134	-21.9	0	0	0	109.2	L233 V234	N231-L233 PolarHBondContact O-N 2.93Å; N231-L233 VanDerWaalsContact O-N 3.11Å; N231-V234 HydrophobicContact CB-CG2 3.92Å; N231-V234 WeakPolarHBondContact O-CB 3.36Å; N231-V234 WeakPolarHBondContact O-CG2 3.42Å; N231-V234 PolarHBondContact O-N 3.41Å
232	P	42.7	Very low	39.4	Very low	38 Å²	38	91.4 Å²	91.4	25%	0.247	49%	0.489	C	S	.	.	H	α-helix	trans	-58.2	-25.4	-178.3	17.6	-29.1	0	0	0	114	K194 V234 A235	K194-P232 HydrophobicContact CB-CB 4.43Å; P232-V234 PolarHBondContact O-N 3.21Å; P232-A235 WeakPolarHBondContact O-CB 3.49Å; P232-A235 PolarHBondContact O-N 2.83Å
233	L	42.3	Very low	40	Very low	53 Å²	53	88.2 Å²	88.2	28%	0.277	47%	0.472	S	S	.	.	H	α-helix	trans	-62.1	-26.9	171.9	-63	-178.3	0	0	0	113.1	P167 A170 N231 A235 N236 L237	P167-L233 HydrophobicContact CB-CD1 4.02Å; A170-L233 HydrophobicContact CB-CD1 4.22Å; A170-L233 HydrophobicContact CB-CD2 4.04Å; N231-L233 PolarHBondContact O-N 2.93Å; N231-L233 VanDerWaalsContact O-N 3.11Å; L233-A235 VanDerWaalsContact C-N 3.33Å; L233-N236 VanDerWaalsContact O-CB 3.31Å; L233-N236 WeakPolarHBondContact O-CB 3.03Å; L233-N236 PolarHBondContact O-N 3.25Å; L233-L237 PolarHBondContact O-N 3.31Å
234	V	45	Very low	40.5	Very low	9 Å²	9	87.7 Å²	87.7	6%	0.055	46%	0.464	C	S	.	.	H	α-helix	trans	-68.3	-35.1	174	172	0	0	0	0	111.6	R160 N231 P232 N236 L237 N238	R160-V234 VanDerWaalsContact NE-CG2 3.27Å; N231-V234 HydrophobicContact CB-CG2 3.92Å; N231-V234 WeakPolarHBondContact O-CB 3.36Å; N231-V234 WeakPolarHBondContact O-CG2 3.42Å; N231-V234 PolarHBondContact O-N 3.41Å; P232-V234 PolarHBondContact O-N 3.21Å; V234-N236 PolarHBondContact O-N 3.16Å; V234-L237 WeakPolarHBondContact O-CB 3.48Å; V234-L237 PolarHBondContact O-N 3.26Å; V234-N238 PolarHBondContact O-N 3.11Å
235	A	46.8	Very low	40.5	Very low	36 Å²	36	83.8 Å²	83.8	30%	0.298	46%	0.457	S	S	.	.	H	α-helix	trans	-62.9	-31.2	178.3	0	0	0	0	0	110.8	L191 P232 L233 L237 Y239	L191-A235 HydrophobicContact CD2-CB 3.89Å; P232-A235 WeakPolarHBondContact O-CB 3.49Å; P232-A235 PolarHBondContact O-N 2.83Å; L233-A235 VanDerWaalsContact C-N 3.33Å; A235-L237 VanDerWaalsContact C-N 3.33Å; A235-Y239 PolarHBondContact O-N 3.42Å
236	N	44.1	Very low	40.7	Very low	9 Å²	9	85.8 Å²	85.8	5%	0.048	48%	0.476	C	S	.	.	H	α-helix	trans	-63.9	-38.5	172.9	-159.3	19	0	0	0	111.9	A170 L174 L233 V234 Y239 L240	A170-N236 PolarHBondContact O-ND2 3.4Å; L174-N236 WeakPolarHBondContact CD1-OD1 3.08Å; L233-N236 VanDerWaalsContact O-CB 3.31Å; L233-N236 WeakPolarHBondContact O-CB 3.03Å; L233-N236 PolarHBondContact O-N 3.25Å; V234-N236 PolarHBondContact O-N 3.16Å; N236-Y239 PolarHBondContact O-N 2.78Å; N236-L240 PolarHBondContact O-N 3.3Å
237	L	48.1	Very low	41.2	Very low	13 Å²	13	80.7 Å²	80.7	7%	0.068	46%	0.456	C	S	.	.	H	α-helix	trans	-66.3	-41.3	178.6	-75.2	173.3	0	0	0	113.5	L152 R160 L163 L233 V234 A235 Y239 L240 T241	L152-L237 HydrophobicContact CD1-CD2 3.36Å; L152-L237 HydrophobicContact CD2-CD1 4.34Å; L152-L237 HydrophobicContact CD2-CD2 3.43Å; L152-L237 VanDerWaalsContact CD2-CD2 3.43Å; L152-L237 HydrophobicContact CD2-CG 4.43Å; L152-L237 HydrophobicContact CG-CD2 3.98Å; R160-L237 HydrophobicContact CB-CD1 3.81Å; R160-L237 HydrophobicContact CG-CD1 3.67Å; L163-L237 HydrophobicContact CD1-CD1 4.16Å; L163-L237 HydrophobicContact CD1-CD2 3.51Å; L163-L237 HydrophobicContact CD1-CG 4.21Å; L233-L237 PolarHBondContact O-N 3.31Å; V234-L237 WeakPolarHBondContact O-CB 3.48Å; V234-L237 PolarHBondContact O-N 3.26Å; A235-L237 VanDerWaalsContact C-N 3.33Å; L237-Y239 PolarHBondContact O-N 2.84Å; L237-L240 HydrophobicContact CD2-CD1 4.42Å; L237-L240 PolarHBondContact O-N 2.86Å; L237-T241 PolarHBondContact O-N 3.25Å; L237-T241 PolarHBondContact O-OG1 2.75Å
238	N	50	Low	41.7	Very low	90 Å²	90	78.6 Å²	78.6	48%	0.481	44%	0.44	S	S	.	.	H	α-helix	trans	-62	-31.2	177.6	-71.7	-8.3	0	0	0	112	V234 T241 S242	V234-N238 PolarHBondContact O-N 3.11Å; N238-T241 WeakPolarHBondContact CA-OG1 3.39Å; N238-T241 PolarHBondContact O-OG1 2.8Å; N238-S242 WeakPolarHBondContact O-CB 3.28Å; N238-S242 PolarHBondContact O-N 3.44Å; N238-S242 VanDerWaalsContact O-N 3.16Å; N238-S242 PolarHBondContact O-OG 2.85Å
239	Y	48.8	Very low	42.1	Very low	115 Å²	115	78.3 Å²	78.3	45%	0.451	43%	0.433	S	S	.	.	H	α-helix	trans	-68.8	-44	175.8	-113.4	-88.7	0	0	0	112	T187 A235 N236 L237 T241 S242 S243	T187-Y239 HydrophobicContact CG2-CE1 4.46Å; A235-Y239 PolarHBondContact O-N 3.42Å; N236-Y239 PolarHBondContact O-N 2.78Å; L237-Y239 PolarHBondContact O-N 2.84Å; Y239-T241 PolarHBondContact O-N 3.49Å; Y239-S242 PolarHBondContact O-N 2.84Å; Y239-S243 PolarHBondContact O-N 3.43Å; Y239-S243 PolarHBondContact O-OG 3.11Å; Y239-S243 VanDerWaalsContact O-OG 3.06Å
240	L	46.2	Very low	42.6	Very low	10 Å²	10	77.8 Å²	77.8	5%	0.052	42%	0.415	C	S	.	.	H	α-helix	trans	-61.7	-31.8	177.6	-69.7	168	0	0	0	113	L152 I173 N236 L237	L152-L240 HydrophobicContact CD1-CD1 4.42Å; I173-L240 HydrophobicContact CG2-CD1 3.61Å; I173-L240 HydrophobicContact CG2-CD2 4.48Å; N236-L240 PolarHBondContact O-N 3.3Å; L237-L240 HydrophobicContact CD2-CD1 4.42Å; L237-L240 PolarHBondContact O-N 2.86Å
241	T	48.1	Very low	43	Very low	79 Å²	79	73 Å²	73	49%	0.485	41%	0.405	S	S	.	.	H	α-helix	trans	-81.6	-18.5	175.4	55.5	0	0	0	0	113.9	L237 N238 Y239	L237-T241 PolarHBondContact O-N 3.25Å; L237-T241 PolarHBondContact O-OG1 2.75Å; N238-T241 WeakPolarHBondContact CA-OG1 3.39Å; N238-T241 PolarHBondContact O-OG1 2.8Å; Y239-T241 PolarHBondContact O-N 3.49Å
242	S	47.5	Very low	43.3	Very low	83 Å²	83	73.1 Å²	73.1	58%	0.58	41%	0.407	S	S	*	.	H	α-helix	trans	-92.2	-10.6	-176.5	-57.8	0	0	0	0	113.6	N238 Y239 E244	N238-S242 WeakPolarHBondContact O-CB 3.28Å; N238-S242 PolarHBondContact O-N 3.44Å; N238-S242 VanDerWaalsContact O-N 3.16Å; N238-S242 PolarHBondContact O-OG 2.85Å; Y239-S242 PolarHBondContact O-N 2.84Å; S242-E244 PolarHBondContact O-N 3.34Å; S242-E244 VanDerWaalsContact O-N 3.17Å
243	S	41.2	Very low	43.3	Very low	51 Å²	51	75.6 Å²	75.6	36%	0.357	42%	0.418	S	S	.	.			trans	-78.3	13.7	-178.2	-43.1	0	0	0	0	114.7	Y239 T245	Y239-S243 PolarHBondContact O-N 3.43Å; Y239-S243 PolarHBondContact O-OG 3.11Å; Y239-S243 VanDerWaalsContact O-OG 3.06Å; S243-T245 PolarHBondContact O-N 2.95Å
244	E	38.5	Very low	43.4	Very low	149 Å²	149	77.4 Å²	77.4	70%	0.696	43%	0.429	S	S	*	.			trans	-76.6	31.3	172	-75	-166.1	114.8	0	0	113	R153 S242	R153-E244 IonicContact CZ-OE1 3.77Å; R153-E244 IonicContact NH2-OE1 3.63Å; R153-E244 PolarHBondContact NH2-OE1 3.31Å; R153-E244 IonicContact NH2-OE2 2.8Å; R153-E244 PolarHBondContact NH2-OE2 3.02Å; S242-E244 PolarHBondContact O-N 3.34Å; S242-E244 VanDerWaalsContact O-N 3.17Å
245	T	29.1	Very low	43.3	Very low	122 Å²	122	83.1 Å²	83.1	75%	0.748	46%	0.46	S	S	*	.			trans	-135.1	75.5	173.1	-30.7	0	0	0	0	111.2	S243	S243-T245 PolarHBondContact O-N 2.95Å
246	L	31.1	Very low	43	Very low	240 Å²	240	87.4 Å²	87.4	100%	1.257	48%	0.475	S	S	*	.			trans	168.9	0	139.7	-88.5	159.1	0	0	0	109.2

Retrieved 246 of 246 residues in 67.6 ms (Link to these results)

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