X5LV67_CAEEL Loading...

DDE-1 domain-containing protein

AlphaFold DB , UniProt , Accession X5LV67, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 161 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	29	Very low	32.4	Very low	226 Å²	226	120.6 Å²	120.6	100%	1.113	62%	0.616	S	S	*	*				0	87.3	0	-164.6	173.7	169.2	0	0	106.9	L3	M1-L3 PolarHBondContact O-N 3.48Å
2	H	28	Very low	33.2	Very low	183 Å²	183	118 Å²	118	85%	0.847	60%	0.603	S	S	*	*			trans	-90.5	105	-174.2	-73.8	-70.9	0	0	0	108.5	I4	H2-I4 PolarHBondContact O-N 2.91Å
3	L	30.3	Very low	33.6	Very low	161 Å²	161	117.5 Å²	117.5	84%	0.843	60%	0.602	S	S	*	*			trans	-65.5	91.4	160.4	-85.2	103.7	0	0	0	106.9	M1 S5	M1-L3 PolarHBondContact O-N 3.48Å; L3-S5 VanDerWaalsContact C-N 3.26Å; L3-S5 PolarHBondContact O-N 2.97Å
4	I	30.4	Very low	34.1	Very low	103 Å²	103	118.3 Å²	118.3	53%	0.528	59%	0.594	S	S	.	*			trans	-60.9	106.2	149.8	-61	176.1	0	0	0	103.1	H2 Y6 C8 E9	H2-I4 PolarHBondContact O-N 2.91Å; I4-Y6 PolarHBondContact O-N 2.9Å; I4-C8 HydrophobicContact CG2-CB 3.75Å; I4-E9 HydrophobicContact CG2-CG 3.92Å
5	S	34.3	Very low	34.6	Very low	52 Å²	52	112.9 Å²	112.9	36%	0.364	57%	0.567	S	S	.	*			trans	-45.9	131.3	175.7	167.8	0	0	0	0	107.8	L3 D7 C8	L3-S5 VanDerWaalsContact C-N 3.26Å; L3-S5 PolarHBondContact O-N 2.97Å; S5-D7 PolarHBondContact O-N 3.02Å; S5-D7 WeakPolarHBondContact OG-CB 3.35Å; S5-D7 PolarHBondContact OG-N 3.25Å; S5-D7 PolarHBondContact OG-OD2 2.7Å; S5-C8 WeakPolarHBondContact O-CA 3.43Å; S5-C8 WeakPolarHBondContact O-CB 3.3Å; S5-C8 PolarHBondContact O-N 3.35Å
6	Y	31.3	Very low	35.1	Very low	180 Å²	180	112.7 Å²	112.7	71%	0.706	57%	0.569	S	S	*	*	H	α-helix	trans	-47.1	-27.7	175.9	-164.3	-97.7	0	0	0	111.9	I4 C8 V10	I4-Y6 PolarHBondContact O-N 2.9Å; Y6-C8 PolarHBondContact O-N 3.48Å; Y6-V10 HydrophobicContact CD1-CG2 4.09Å; Y6-V10 HydrophobicContact CE1-CG2 4.09Å; Y6-V10 WeakPolarHBondContact O-CB 3.3Å; Y6-V10 VanDerWaalsContact O-CG2 3.22Å; Y6-V10 WeakPolarHBondContact O-CG2 3.27Å; Y6-V10 PolarHBondContact O-N 3.38Å
7	D	33.6	Very low	35.6	Very low	115 Å²	115	108.9 Å²	108.9	62%	0.615	56%	0.555	S	S	*	*	H	α-helix	trans	-65.8	-33.4	174.1	-61.4	-37.5	0	0	0	113.9	S5 V11	S5-D7 PolarHBondContact O-N 3.02Å; S5-D7 WeakPolarHBondContact OG-CB 3.35Å; S5-D7 PolarHBondContact OG-N 3.25Å; S5-D7 PolarHBondContact OG-OD2 2.7Å; D7-V11 VanDerWaalsContact O-CB 3.32Å; D7-V11 WeakPolarHBondContact O-CB 3.29Å; D7-V11 WeakPolarHBondContact O-CG2 3.35Å; D7-V11 PolarHBondContact O-N 3.02Å
8	C	33.2	Very low	36	Very low	66 Å²	66	112.3 Å²	112.3	45%	0.446	57%	0.568	S	S	.	*	H	α-helix	trans	-74.6	-39.3	178.3	-71.1	0	0	0	0	111.8	I4 S5 Y6 V11 I12	I4-C8 HydrophobicContact CG2-CB 3.75Å; S5-C8 WeakPolarHBondContact O-CA 3.43Å; S5-C8 WeakPolarHBondContact O-CB 3.3Å; S5-C8 PolarHBondContact O-N 3.35Å; Y6-C8 PolarHBondContact O-N 3.48Å; C8-V11 PolarHBondContact O-N 3.45Å; C8-I12 WeakPolarHBondContact O-CB 3.49Å; C8-I12 WeakPolarHBondContact O-CD1 3.22Å; C8-I12 WeakPolarHBondContact O-CG1 3.44Å; C8-I12 PolarHBondContact O-N 3.37Å
9	E	33.7	Very low	36.3	Very low	106 Å²	106	111.9 Å²	111.9	50%	0.495	57%	0.567	S	S	.	*	H	α-helix	trans	-66.8	-42.9	173.4	-77	-172.7	163.1	0	0	110.9	I4 V11 I12 D13	I4-E9 HydrophobicContact CG2-CG 3.92Å; E9-V11 VanDerWaalsContact C-N 3.31Å; E9-V11 PolarHBondContact O-N 3.29Å; E9-I12 CarbonylContact O-C 3.58Å; E9-I12 PolarHBondContact O-N 3.01Å; E9-I12 VanDerWaalsContact O-N 3.15Å; E9-D13 WeakPolarHBondContact O-CB 3.31Å; E9-D13 PolarHBondContact O-N 3.44Å
10	V	37.2	Very low	36.6	Very low	75 Å²	75	106.8 Å²	106.8	46%	0.455	54%	0.543	S	S	.	.	H	α-helix	trans	-61.2	-39.7	173.9	171.4	0	0	0	0	111.3	Y6 W14	Y6-V10 HydrophobicContact CD1-CG2 4.09Å; Y6-V10 HydrophobicContact CE1-CG2 4.09Å; Y6-V10 WeakPolarHBondContact O-CB 3.3Å; Y6-V10 VanDerWaalsContact O-CG2 3.22Å; Y6-V10 WeakPolarHBondContact O-CG2 3.27Å; Y6-V10 PolarHBondContact O-N 3.38Å; V10-W14 WeakPolarHBondContact O-CB 3.43Å; V10-W14 PolarHBondContact O-N 3.12Å
11	V	35.8	Very low	37.1	Very low	60 Å²	60	103.1 Å²	103.1	36%	0.364	53%	0.527	S	S	.	.	H	α-helix	trans	-69.7	-34.7	175.7	167.9	0	0	0	0	112.1	D7 C8 E9 L15	D7-V11 VanDerWaalsContact O-CB 3.32Å; D7-V11 WeakPolarHBondContact O-CB 3.29Å; D7-V11 WeakPolarHBondContact O-CG2 3.35Å; D7-V11 PolarHBondContact O-N 3.02Å; C8-V11 PolarHBondContact O-N 3.45Å; E9-V11 VanDerWaalsContact C-N 3.31Å; E9-V11 PolarHBondContact O-N 3.29Å; V11-L15 HydrophobicContact CG1-CD1 4.02Å; V11-L15 WeakPolarHBondContact O-CB 3.46Å; V11-L15 VanDerWaalsContact O-CG 3.24Å; V11-L15 WeakPolarHBondContact O-CG 3.17Å; V11-L15 PolarHBondContact O-N 2.71Å
12	I	40.9	Very low	37.9	Very low	89 Å²	89	94.8 Å²	94.8	46%	0.456	49%	0.491	S	S	.	.	H	α-helix	trans	-71.3	-43.5	175.7	-72.9	167.2	0	0	0	110.5	C8 E9 W14 L15 N16	C8-I12 WeakPolarHBondContact O-CB 3.49Å; C8-I12 WeakPolarHBondContact O-CD1 3.22Å; C8-I12 WeakPolarHBondContact O-CG1 3.44Å; C8-I12 PolarHBondContact O-N 3.37Å; E9-I12 CarbonylContact O-C 3.58Å; E9-I12 PolarHBondContact O-N 3.01Å; E9-I12 VanDerWaalsContact O-N 3.15Å; I12-W14 VanDerWaalsContact C-N 3.29Å; I12-W14 PolarHBondContact O-N 2.66Å; I12-L15 PolarHBondContact O-N 3.2Å; I12-N16 WeakPolarHBondContact CG2-ND2 3.24Å; I12-N16 VanDerWaalsContact O-CB 3.24Å; I12-N16 WeakPolarHBondContact O-CB 3.41Å; I12-N16 PolarHBondContact O-N 3.45Å; I12-N16 PolarHBondContact O-ND2 3.06Å
13	D	39.3	Very low	38.8	Very low	111 Å²	111	87.9 Å²	87.9	59%	0.594	46%	0.463	S	S	*	.	H	α-helix	trans	-65.5	-33.5	172.5	-81.4	-11.7	0	0	0	111.9	E9 S17	E9-D13 WeakPolarHBondContact O-CB 3.31Å; E9-D13 PolarHBondContact O-N 3.44Å; D13-S17 VanDerWaalsContact O-CB 3.27Å; D13-S17 WeakPolarHBondContact O-CB 3.4Å; D13-S17 PolarHBondContact O-N 3.43Å
14	W	40.7	Very low	39.9	Very low	129 Å²	129	82 Å²	82	49%	0.489	43%	0.432	S	S	.	.	H	α-helix	trans	-71	-34.2	172.8	-164.1	78.8	0	0	0	111.9	V10 I12 A20	V10-W14 WeakPolarHBondContact O-CB 3.43Å; V10-W14 PolarHBondContact O-N 3.12Å; I12-W14 VanDerWaalsContact C-N 3.29Å; I12-W14 PolarHBondContact O-N 2.66Å; W14-A20 HydrophobicContact CD2-CB 3.89Å; W14-A20 HydrophobicContact CE3-CB 4.5Å; W14-A20 HydrophobicContact CG-CB 4.03Å; W14-A20 HydrophobicContact CZ2-CB 4.3Å; W14-A20 WeakPolarHBondContact O-CB 3.49Å
15	L	42	Very low	41.1	Very low	37 Å²	37	78.1 Å²	78.1	19%	0.194	41%	0.413	C	S	.	.	H	α-helix	trans	-76.3	-36.8	172.5	-74.4	165.9	0	0	0	112.3	V11 I12 S17 S21 K144	V11-L15 HydrophobicContact CG1-CD1 4.02Å; V11-L15 WeakPolarHBondContact O-CB 3.46Å; V11-L15 VanDerWaalsContact O-CG 3.24Å; V11-L15 WeakPolarHBondContact O-CG 3.17Å; V11-L15 PolarHBondContact O-N 2.71Å; I12-L15 PolarHBondContact O-N 3.2Å; L15-S17 VanDerWaalsContact C-N 3.26Å; L15-S17 PolarHBondContact O-N 3.29Å; L15-S21 PolarHBondContact O-OG 3.22Å; L15-K144 HydrophobicContact CD1-CD 4.43Å
16	N	41.2	Very low	41.9	Very low	110 Å²	110	78.7 Å²	78.7	59%	0.588	41%	0.411	S	S	*	.	H	α-helix	trans	-73.1	-19.3	176	-74.2	-25.3	0	0	0	112.5	I12 E18	I12-N16 WeakPolarHBondContact CG2-ND2 3.24Å; I12-N16 VanDerWaalsContact O-CB 3.24Å; I12-N16 WeakPolarHBondContact O-CB 3.41Å; I12-N16 PolarHBondContact O-N 3.45Å; I12-N16 PolarHBondContact O-ND2 3.06Å; N16-E18 PolarHBondContact O-N 3.45Å; N16-E18 VanDerWaalsContact O-N 3.11Å
17	S	43.6	Very low	42.9	Very low	49 Å²	49	77.8 Å²	77.8	34%	0.343	41%	0.406	S	S	.	.			trans	-67.6	108.5	169	175.7	0	0	0	0	109.1	D13 L15 L19 A20 S21	D13-S17 VanDerWaalsContact O-CB 3.27Å; D13-S17 WeakPolarHBondContact O-CB 3.4Å; D13-S17 PolarHBondContact O-N 3.43Å; L15-S17 VanDerWaalsContact C-N 3.26Å; L15-S17 PolarHBondContact O-N 3.29Å; S17-L19 PolarHBondContact O-N 3.25Å; S17-A20 PolarHBondContact O-N 3Å; S17-S21 PolarHBondContact O-N 3.43Å
18	E	43.9	Very low	43.8	Very low	169 Å²	169	74.9 Å²	74.9	79%	0.79	39%	0.391	S	S	*	.	H	α-helix	trans	-48.4	-31	173.8	-160.7	173.2	-159.4	0	0	111.6	N16 S22	N16-E18 PolarHBondContact O-N 3.45Å; N16-E18 VanDerWaalsContact O-N 3.11Å; E18-S22 WeakPolarHBondContact O-CB 3.38Å; E18-S22 PolarHBondContact O-N 3.09Å; E18-S22 PolarHBondContact O-OG 3.39Å
19	L	40.9	Very low	44.5	Very low	105 Å²	105	72.5 Å²	72.5	55%	0.55	37%	0.373	S	S	.	.	H	α-helix	trans	-70.1	-39.5	176.9	-135	100.5	0	0	0	113.7	S17 S23	S17-L19 PolarHBondContact O-N 3.25Å; L19-S23 VanDerWaalsContact O-CB 3.23Å; L19-S23 WeakPolarHBondContact O-CB 3.35Å; L19-S23 PolarHBondContact O-N 2.86Å
20	A	43.3	Very low	45.2	Very low	9 Å²	9	74.5 Å²	74.5	7%	0.074	38%	0.38	C	S	.	.	H	α-helix	trans	-84.5	-32.1	-178.9	0	0	0	0	0	111.8	W14 S17 S23 L24	W14-A20 HydrophobicContact CD2-CB 3.89Å; W14-A20 HydrophobicContact CE3-CB 4.5Å; W14-A20 HydrophobicContact CG-CB 4.03Å; W14-A20 HydrophobicContact CZ2-CB 4.3Å; W14-A20 WeakPolarHBondContact O-CB 3.49Å; S17-A20 PolarHBondContact O-N 3Å; A20-S23 PolarHBondContact O-N 3.27Å; A20-L24 VanDerWaalsContact O-CB 3.27Å; A20-L24 WeakPolarHBondContact O-CB 3.49Å; A20-L24 PolarHBondContact O-N 3.48Å
21	S	46.3	Very low	45.5	Very low	30 Å²	30	72.7 Å²	72.7	21%	0.21	37%	0.371	C	S	.	.	H	α-helix	trans	-59.8	-46	162.8	-79.3	0	0	0	0	111.4	L15 S17 S23 L24 I25	L15-S21 PolarHBondContact O-OG 3.22Å; S17-S21 PolarHBondContact O-N 3.43Å; S21-S23 PolarHBondContact O-N 3.4Å; S21-L24 PolarHBondContact O-N 2.85Å; S21-I25 WeakPolarHBondContact O-CB 3.48Å; S21-I25 VanDerWaalsContact O-CG1 3.28Å; S21-I25 WeakPolarHBondContact O-CG1 3.46Å; S21-I25 PolarHBondContact O-N 3.48Å
22	S	46.1	Very low	45.9	Very low	52 Å²	52	71.1 Å²	71.1	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-64.2	-40	174	-62.7	0	0	0	0	112.3	E18 I25 L26	E18-S22 WeakPolarHBondContact O-CB 3.38Å; E18-S22 PolarHBondContact O-N 3.09Å; E18-S22 PolarHBondContact O-OG 3.39Å; S22-I25 PolarHBondContact O-N 3.15Å; S22-L26 WeakPolarHBondContact O-CB 3.46Å; S22-L26 WeakPolarHBondContact O-CD1 3.37Å; S22-L26 WeakPolarHBondContact O-CG 3.5Å; S22-L26 PolarHBondContact O-N 3.33Å
23	S	47.5	Very low	45.9	Very low	38 Å²	38	70.8 Å²	70.8	27%	0.266	37%	0.365	S	S	.	.	H	α-helix	trans	-66.2	-37.2	176.4	-170.8	0	0	0	0	112.4	L19 A20 S21 R27	L19-S23 VanDerWaalsContact O-CB 3.23Å; L19-S23 WeakPolarHBondContact O-CB 3.35Å; L19-S23 PolarHBondContact O-N 2.86Å; A20-S23 PolarHBondContact O-N 3.27Å; S21-S23 PolarHBondContact O-N 3.4Å; S23-R27 WeakPolarHBondContact O-CB 3.43Å; S23-R27 WeakPolarHBondContact O-CG 3.46Å; S23-R27 PolarHBondContact O-N 3.48Å
24	L	53.3	Low	46.2	Very low	36 Å²	36	70.8 Å²	70.8	19%	0.188	36%	0.361	C	S	.	.	H	α-helix	trans	-67.9	-47.3	174.9	-177.5	69.9	0	0	0	110.9	A20 S21 L26 R27 I28 F145 I148	A20-L24 VanDerWaalsContact O-CB 3.27Å; A20-L24 WeakPolarHBondContact O-CB 3.49Å; A20-L24 PolarHBondContact O-N 3.48Å; S21-L24 PolarHBondContact O-N 2.85Å; L24-L26 VanDerWaalsContact C-N 3.35Å; L24-R27 PolarHBondContact O-N 2.94Å; L24-I28 HydrophobicContact CG-CD1 4.11Å; L24-I28 VanDerWaalsContact O-CG1 3.29Å; L24-I28 WeakPolarHBondContact O-CG1 3.39Å; L24-I28 PolarHBondContact O-N 3.11Å; L24-F145 HydrophobicContact CD2-CE1 4.41Å; L24-I148 HydrophobicContact CD2-CD1 3.65Å
25	I	54.2	Low	46.5	Very low	23 Å²	23	70.1 Å²	70.1	12%	0.118	37%	0.367	C	S	.	.	H	α-helix	trans	-57.8	-50.5	173.2	-68.8	168.6	0	0	0	108.9	S21 S22 R27 I28 L29 W151	S21-I25 WeakPolarHBondContact O-CB 3.48Å; S21-I25 VanDerWaalsContact O-CG1 3.28Å; S21-I25 WeakPolarHBondContact O-CG1 3.46Å; S21-I25 PolarHBondContact O-N 3.48Å; S22-I25 PolarHBondContact O-N 3.15Å; I25-R27 VanDerWaalsContact C-N 3.3Å; I25-R27 PolarHBondContact O-N 3.38Å; I25-I28 CarbonylContact O-C 3.56Å; I25-I28 WeakPolarHBondContact O-CB 3.34Å; I25-I28 PolarHBondContact O-N 2.98Å; I25-L29 HydrophobicContact CG2-CD1 3.81Å; I25-L29 HydrophobicContact CG2-CG 4.1Å; I25-L29 WeakPolarHBondContact O-CB 3.4Å; I25-L29 WeakPolarHBondContact O-CG 3.37Å; I25-L29 PolarHBondContact O-N 3.43Å; I25-W151 HydrophobicContact CD1-CE3 4.24Å; I25-W151 HydrophobicContact CD1-CH2 4.17Å; I25-W151 HydrophobicContact CD1-CZ3 3.9Å
26	L	51.7	Low	46.8	Very low	64 Å²	64	76.7 Å²	76.7	34%	0.335	39%	0.394	S	S	.	.	H	α-helix	trans	-59.3	-35.7	177	-74.9	167.4	0	0	0	113	S22 L24 K30	S22-L26 WeakPolarHBondContact O-CB 3.46Å; S22-L26 WeakPolarHBondContact O-CD1 3.37Å; S22-L26 WeakPolarHBondContact O-CG 3.5Å; S22-L26 PolarHBondContact O-N 3.33Å; L24-L26 VanDerWaalsContact C-N 3.35Å; L26-K30 WeakPolarHBondContact O-CB 3.44Å; L26-K30 PolarHBondContact O-N 3.15Å
27	R	53	Low	46.8	Very low	160 Å²	160	74.8 Å²	74.8	60%	0.604	38%	0.384	S	S	*	.	H	α-helix	trans	-69.1	-40.6	173	-85.4	-179.6	-164.2	169.7	6	112.3	S23 L24 I25 K30 S31	S23-R27 WeakPolarHBondContact O-CB 3.43Å; S23-R27 WeakPolarHBondContact O-CG 3.46Å; S23-R27 PolarHBondContact O-N 3.48Å; L24-R27 PolarHBondContact O-N 2.94Å; I25-R27 VanDerWaalsContact C-N 3.3Å; I25-R27 PolarHBondContact O-N 3.38Å; R27-K30 PolarHBondContact O-N 3.38Å; R27-S31 WeakPolarHBondContact O-CB 3.49Å; R27-S31 PolarHBondContact O-N 2.75Å
28	I	51.7	Low	46.7	Very low	55 Å²	55	78.3 Å²	78.3	28%	0.282	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-45	175.2	-68.8	167	0	0	0	109.3	L24 I25 S31 N32 V128	L24-I28 HydrophobicContact CG-CD1 4.11Å; L24-I28 VanDerWaalsContact O-CG1 3.29Å; L24-I28 WeakPolarHBondContact O-CG1 3.39Å; L24-I28 PolarHBondContact O-N 3.11Å; I25-I28 CarbonylContact O-C 3.56Å; I25-I28 WeakPolarHBondContact O-CB 3.34Å; I25-I28 PolarHBondContact O-N 2.98Å; I28-S31 PolarHBondContact O-N 2.96Å; I28-N32 WeakPolarHBondContact O-CB 3.48Å; I28-N32 PolarHBondContact O-N 3.39Å; I28-N32 PolarHBondContact O-ND2 3.49Å; I28-V128 HydrophobicContact CG2-CG2 3.98Å
29	L	48	Very low	46.6	Very low	15 Å²	15	75.7 Å²	75.7	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-63.4	-47.1	176.1	-63.8	-177.9	0	0	0	111.5	I25 S31 N32 C33 M124 V128	I25-L29 HydrophobicContact CG2-CD1 3.81Å; I25-L29 HydrophobicContact CG2-CG 4.1Å; I25-L29 WeakPolarHBondContact O-CB 3.4Å; I25-L29 WeakPolarHBondContact O-CG 3.37Å; I25-L29 PolarHBondContact O-N 3.43Å; L29-S31 VanDerWaalsContact C-N 3.32Å; L29-S31 PolarHBondContact O-N 3.29Å; L29-N32 PolarHBondContact O-N 2.75Å; L29-C33 PolarHBondContact O-N 3.24Å; L29-C33 PolarHBondContact O-SG 2.92Å; L29-C33 VanDerWaalsContact O-SG 3.34Å; L29-M124 HydrophobicContact CB-SD 4.39Å; L29-M124 HydrophobicContact CD1-CB 4.48Å; L29-M124 HydrophobicContact CD1-SD 3.97Å; L29-M124 HydrophobicContact CD2-CB 3.54Å; L29-M124 HydrophobicContact CD2-CG 3.75Å; L29-M124 HydrophobicContact CD2-SD 3.81Å; L29-M124 HydrophobicContact CG-SD 4.25Å; L29-V128 HydrophobicContact CD2-CG2 4.15Å
30	K	48.4	Very low	46.7	Very low	148 Å²	148	74.7 Å²	74.7	64%	0.643	38%	0.383	S	S	*	.	H	α-helix	trans	-63	-36.2	177.2	-172.4	173.7	-177.3	175.1	0	112.7	L26 R27	L26-K30 WeakPolarHBondContact O-CB 3.44Å; L26-K30 PolarHBondContact O-N 3.15Å; R27-K30 PolarHBondContact O-N 3.38Å
31	S	44.2	Very low	46.4	Very low	37 Å²	37	80.7 Å²	80.7	26%	0.259	40%	0.403	S	S	.	.	H	α-helix	trans	-68.4	-37.2	175.3	-168.7	0	0	0	0	111.8	R27 I28 L29 H34	R27-S31 WeakPolarHBondContact O-CB 3.49Å; R27-S31 PolarHBondContact O-N 2.75Å; I28-S31 PolarHBondContact O-N 2.96Å; L29-S31 VanDerWaalsContact C-N 3.32Å; L29-S31 PolarHBondContact O-N 3.29Å; S31-H34 PolarHBondContact O-N 2.87Å
32	N	44.2	Very low	46.1	Very low	27 Å²	27	85.4 Å²	85.4	14%	0.144	42%	0.424	C	S	.	.	H	α-helix	trans	-76.1	-25.2	176.6	-75.9	-56.4	0	0	0	114.2	I28 L29 H34 R131	I28-N32 WeakPolarHBondContact O-CB 3.48Å; I28-N32 PolarHBondContact O-N 3.39Å; I28-N32 PolarHBondContact O-ND2 3.49Å; L29-N32 PolarHBondContact O-N 2.75Å; N32-H34 VanDerWaalsContact C-N 3.29Å; N32-R131 VanDerWaalsContact CG-NH1 3.28Å; N32-R131 PolarHBondContact OD1-NH1 3.3Å
33	C	41.3	Very low	45.7	Very low	83 Å²	83	87.5 Å²	87.5	56%	0.561	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.6	172.7	-70.3	0	0	0	0	114	L29	L29-C33 PolarHBondContact O-N 3.24Å; L29-C33 PolarHBondContact O-SG 2.92Å; L29-C33 VanDerWaalsContact O-SG 3.34Å
34	H	45.3	Very low	45.3	Very low	110 Å²	110	91.8 Å²	91.8	51%	0.509	45%	0.45	S	S	.	.	S	Bend	trans	-93.3	108.8	178.9	-138.5	-65.2	0	0	0	109.6	S31 N32 K36 N37 R38	S31-H34 PolarHBondContact O-N 2.87Å; N32-H34 VanDerWaalsContact C-N 3.29Å; H34-K36 PolarHBondContact O-N 3.31Å; H34-N37 PolarHBondContact O-N 2.96Å; H34-R38 PolarHBondContact O-N 3.47Å
35	D	46.6	Very low	44.3	Very low	115 Å²	115	94.5 Å²	94.5	62%	0.615	47%	0.472	S	S	*	.	H	α-helix	trans	-54.1	-32.7	-173.1	-77.7	-44	0	0	0	114.2	N37 R38	D35-N37 VanDerWaalsContact C-N 3.32Å; D35-N37 PolarHBondContact O-N 3.36Å; D35-R38 PolarHBondContact O-N 3.19Å
36	K	49.2	Very low	43.5	Very low	175 Å²	175	96.1 Å²	96.1	76%	0.761	48%	0.484	S	S	*	.	H	α-helix	trans	-63.7	-34.2	175.6	-68.2	-171.8	176.8	-175.9	0	113.5	H34	H34-K36 PolarHBondContact O-N 3.31Å
37	N	41	Very low	43	Very low	71 Å²	71	99.7 Å²	99.7	38%	0.38	50%	0.502	S	S	.	.	H	α-helix	trans	-92	-24	-178.4	-66.1	-11.6	0	0	0	111.7	H34 D35 N39 C40 W41	H34-N37 PolarHBondContact O-N 2.96Å; D35-N37 VanDerWaalsContact C-N 3.32Å; D35-N37 PolarHBondContact O-N 3.36Å; N37-N39 PolarHBondContact O-N 3.39Å; N37-C40 WeakPolarHBondContact O-CB 3.24Å; N37-C40 PolarHBondContact O-N 3.22Å; N37-C40 VanDerWaalsContact O-N 3.1Å; N37-W41 PolarHBondContact O-N 2.99Å
38	R	41.4	Very low	42.2	Very low	122 Å²	122	98 Å²	98	46%	0.46	50%	0.503	S	S	.	.	H	α-helix	trans	-54	-40.8	177.7	-166.7	178.1	-178.8	-158.1	-1.4	112.2	H34 D35 W41 M42	H34-R38 PolarHBondContact O-N 3.47Å; D35-R38 PolarHBondContact O-N 3.19Å; R38-W41 PolarHBondContact O-N 3.49Å; R38-M42 HydrophobicContact CG-CG 4.46Å; R38-M42 WeakPolarHBondContact O-CB 3.39Å; R38-M42 WeakPolarHBondContact O-CG 2.96Å; R38-M42 PolarHBondContact O-N 3.36Å; R38-M42 VanDerWaalsContact O-N 3.11Å
39	N	41.8	Very low	41.3	Very low	115 Å²	115	101.1 Å²	101.1	62%	0.615	52%	0.52	S	S	*	.	H	α-helix	trans	-67.2	-41.1	177	-76.4	-10.5	0	0	0	112.8	N37 W41 M42 S43	N37-N39 PolarHBondContact O-N 3.39Å; N39-W41 PolarHBondContact O-N 3.24Å; N39-W41 VanDerWaalsContact O-N 3.12Å; N39-M42 PolarHBondContact O-N 3Å; N39-M42 VanDerWaalsContact O-N 3.14Å; N39-S43 PolarHBondContact O-N 3.36Å; N39-S43 PolarHBondContact O-OG 3.3Å
40	C	41.3	Very low	40.8	Very low	84 Å²	84	109 Å²	109	57%	0.568	56%	0.557	S	S	*	*	H	α-helix	trans	-57.5	-28.4	177.7	-79.3	0	0	0	0	113.5	N37 Y44	N37-C40 WeakPolarHBondContact O-CB 3.24Å; N37-C40 PolarHBondContact O-N 3.22Å; N37-C40 VanDerWaalsContact O-N 3.1Å; C40-Y44 WeakPolarHBondContact O-CB 3.32Å
41	W	37.1	Very low	40.3	Very low	135 Å²	135	105.5 Å²	105.5	51%	0.511	56%	0.556	S	S	.	*	H	α-helix	trans	-90.6	-32.5	177.3	-64.5	102.6	0	0	0	113.1	N37 R38 N39	N37-W41 PolarHBondContact O-N 2.99Å; R38-W41 PolarHBondContact O-N 3.49Å; N39-W41 PolarHBondContact O-N 3.24Å; N39-W41 VanDerWaalsContact O-N 3.12Å
42	M	40	Very low	39.9	Very low	129 Å²	129	107.9 Å²	107.9	64%	0.635	58%	0.577	S	S	*	*	H	α-helix	trans	-75.5	-31.6	179.9	-70	-78.5	-84.1	0	0	112.7	R38 N39	R38-M42 HydrophobicContact CG-CG 4.46Å; R38-M42 WeakPolarHBondContact O-CB 3.39Å; R38-M42 WeakPolarHBondContact O-CG 2.96Å; R38-M42 PolarHBondContact O-N 3.36Å; R38-M42 VanDerWaalsContact O-N 3.11Å; N39-M42 PolarHBondContact O-N 3Å; N39-M42 VanDerWaalsContact O-N 3.14Å
43	S	39.1	Very low	39.4	Very low	96 Å²	96	114.8 Å²	114.8	67%	0.671	61%	0.613	S	S	*	*	S	Bend	trans	-96.6	6.6	175.7	61.4	0	0	0	0	113.6	N39 S45	N39-S43 PolarHBondContact O-N 3.36Å; N39-S43 PolarHBondContact O-OG 3.3Å; S43-S45 VanDerWaalsContact C-N 3.35Å; S43-S45 PolarHBondContact O-N 3.14Å
44	Y	37.8	Very low	39	Very low	128 Å²	128	115.2 Å²	115.2	50%	0.502	62%	0.617	S	S	.	*			trans	-70.5	90.8	177.5	-168.8	-101	0	0	0	110.5	C40 P46 L140	C40-Y44 WeakPolarHBondContact O-CB 3.32Å; Y44-P46 HydrophobicContact CE1-CB 4.12Å; Y44-L140 HydrophobicContact CE1-CD1 4.18Å
45	S	33.8	Very low	38.4	Very low	93 Å²	93	116.3 Å²	116.3	65%	0.65	63%	0.627	S	S	*	*			trans	-87.1	117.9	161.2	178	0	0	0	0	107.6	S43 I47	S43-S45 VanDerWaalsContact C-N 3.35Å; S43-S45 PolarHBondContact O-N 3.14Å; S45-I47 PolarHBondContact O-N 3.06Å
46	P	36.3	Very low	37.7	Very low	57 Å²	57	119.1 Å²	119.1	37%	0.37	64%	0.64	S	S	.	*			trans	-68.2	105.3	-179	26.8	-31.7	0	0	0	109.7	Y44 I48 L140	Y44-P46 HydrophobicContact CE1-CB 4.12Å; P46-I48 PolarHBondContact O-N 3.32Å; P46-L140 HydrophobicContact CB-CD1 3.79Å; P46-L140 HydrophobicContact CG-CD1 4.4Å
47	I	40.8	Very low	36.8	Very low	139 Å²	139	119.2 Å²	119.2	71%	0.713	64%	0.643	S	S	*	*			trans	-77.1	101.8	163.2	-57.7	173.5	0	0	0	105.8	S45 N49	S45-I47 PolarHBondContact O-N 3.06Å; I47-N49 VanDerWaalsContact C-N 3.31Å; I47-N49 PolarHBondContact O-N 3.17Å
48	I	36	Very low	36.5	Very low	125 Å²	125	126.8 Å²	126.8	64%	0.641	67%	0.666	S	S	*	*			trans	-73.3	91	174.4	-56.3	174	0	0	0	107	P46 E50	P46-I48 PolarHBondContact O-N 3.32Å; I48-E50 HydrophobicContact CG2-CG 4.24Å
49	N	32.9	Very low	35.8	Very low	120 Å²	120	130.5 Å²	130.5	64%	0.642	69%	0.686	S	S	*	*			trans	-88.8	102.9	163.9	-89.8	-17.5	0	0	0	108	I47 A51 A52	I47-N49 VanDerWaalsContact C-N 3.31Å; I47-N49 PolarHBondContact O-N 3.17Å; N49-A51 PolarHBondContact O-N 3.4Å; N49-A52 PolarHBondContact O-N 2.91Å
50	E	37.7	Very low	35.2	Very low	180 Å²	180	134 Å²	134	84%	0.841	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-13	176.8	-67	-178.5	152.1	0	0	113.2	I48	I48-E50 HydrophobicContact CG2-CG 4.24Å
51	A	38.1	Very low	34.7	Very low	75 Å²	75	137.3 Å²	137.3	62%	0.62	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-9	-176.7	0	0	0	0	0	115.8	N49 L53 S54	N49-A51 PolarHBondContact O-N 3.4Å; A51-L53 VanDerWaalsContact C-N 3.33Å; A51-L53 PolarHBondContact O-N 3.1Å; A51-S54 PolarHBondContact O-OG 2.9Å
52	A	35.3	Very low	34.6	Very low	86 Å²	86	136.1 Å²	136.1	71%	0.711	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	5.4	-171.4	0	0	0	0	0	115.2	N49	N49-A52 PolarHBondContact O-N 2.91Å
53	L	33.6	Very low	34.1	Very low	173 Å²	173	135.7 Å²	135.7	91%	0.906	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-3.6	-179.5	-99.8	147.6	0	0	0	114.2	A51	A51-L53 VanDerWaalsContact C-N 3.33Å; A51-L53 PolarHBondContact O-N 3.1Å
54	S	33.7	Very low	33.7	Very low	91 Å²	91	138.2 Å²	138.2	64%	0.636	73%	0.733	S	S	*	*	S	Bend	trans	-106.5	-8.8	-173.8	38.8	0	0	0	0	116.8	A51	A51-S54 PolarHBondContact O-OG 2.9Å
55	D	33.2	Very low	33.7	Very low	133 Å²	133	139.9 Å²	139.9	71%	0.711	75%	0.749	S	S	*	*			trans	-116	77.5	-173.7	-73.8	-31.8	0	0	0	113.7
56	I	31.3	Very low	33.7	Very low	175 Å²	175	144.1 Å²	144.1	90%	0.897	76%	0.756	S	S	*	*			trans	-128.3	73.3	152.2	-52.9	179.8	0	0	0	107.9
57	Q	30.3	Very low	33.7	Very low	176 Å²	176	146 Å²	146	82%	0.822	78%	0.777	S	S	*	*			trans	-89	120.8	164.6	-75.1	-164.8	-1.3	0	0	111
58	R	34.5	Very low	33.6	Very low	230 Å²	230	143.6 Å²	143.6	87%	0.868	78%	0.777	S	S	*	*			trans	37.7	126.8	148.3	-71.8	179.1	175.5	156.6	-1.4	120
59	K	26.9	Very low	33.9	Very low	201 Å²	201	142.6 Å²	142.6	87%	0.874	78%	0.779	S	S	*	*				-144.8	98	129.6	-107.2	174.1	-174.2	177.4	0	110.7
60	Q	29.8	Very low	34.8	Very low	189 Å²	189	142.6 Å²	142.6	88%	0.883	79%	0.788	S	S	*	*			trans	-65.3	128.9	158.6	-104.5	176	-14.5	0	0	108
61	I	31.1	Very low	35.2	Very low	153 Å²	153	140.1 Å²	140.1	79%	0.785	78%	0.779	S	S	*	*			trans	-115.3	110.9	165.7	-58	174.2	0	0	0	106
62	S	33.8	Very low	35.7	Very low	109 Å²	109	145.5 Å²	145.5	76%	0.762	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-90.4	132.5	169.8	29.2	0	0	0	0	109.5
63	P	31	Very low	36.2	Very low	120 Å²	120	149.7 Å²	149.7	78%	0.779	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-96.5	129.2	164.8	9.1	9.8	0	0	0	111.1
64	L	30.1	Very low	36.7	Very low	149 Å²	149	145.7 Å²	145.7	78%	0.78	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-63.5	124.6	174.1	-164.2	80.5	0	0	0	110.8
65	I	38	Very low	37.4	Very low	164 Å²	164	148.6 Å²	148.6	84%	0.841	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-75.8	124.5	171	-59.8	171	0	0	0	108.3
66	K	34	Very low	38.2	Very low	181 Å²	181	146 Å²	146	79%	0.787	77%	0.765	S	S	*	*			trans	-129.2	139.2	159.2	-77.2	-171	177.7	-178.7	0	110.1
67	A	35.5	Very low	38.7	Very low	98 Å²	98	141.8 Å²	141.8	81%	0.81	75%	0.747	S	S	*	*			trans	-65.7	159.3	-162.1	0	0	0	0	0	115.4
68	A	39	Very low	39.2	Very low	88 Å²	88	137.3 Å²	137.3	73%	0.727	73%	0.728	S	S	*	*			trans	-59.9	161.2	178.7	0	0	0	0	0	113.7
69	P	42	Very low	39.5	Very low	104 Å²	104	133.1 Å²	133.1	68%	0.675	72%	0.716	S	S	*	*				-140.8	146.2	100	29.6	-11.7	0	0	0	115.2	I71	P69-I71 WeakPolarHBondContact O-CG1 3.11Å
70	S	52.9	Low	40.4	Very low	119 Å²	119	126.7 Å²	126.7	83%	0.832	69%	0.691	S	S	*	*			trans	39.3	93	163.4	63.1	0	0	0	0	117.6
71	I	45.8	Very low	40.9	Very low	128 Å²	128	120.9 Å²	120.9	66%	0.656	67%	0.668	S	S	*	*			trans	-131.4	105.6	-175.6	-51.4	179.5	0	0	0	110.5	P69 Y73	P69-I71 WeakPolarHBondContact O-CG1 3.11Å; I71-Y73 PolarHBondContact O-N 3.04Å
72	Q	48.4	Very low	41.4	Very low	189 Å²	189	116.6 Å²	116.6	88%	0.883	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-47.2	117.9	160.8	-150	172.6	29.4	0	0	108	P74	Q72-P74 WeakPolarHBondContact O-CD 3.27Å; Q72-P74 VanDerWaalsContact O-N 3.08Å
73	Y	44.4	Very low	41.8	Very low	174 Å²	174	116.5 Å²	116.5	68%	0.682	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-51.4	120.2	-170.8	-63	-79.5	0	0	0	111	I71 K75	I71-Y73 PolarHBondContact O-N 3.04Å; Y73-K75 PolarHBondContact O-N 3.05Å
74	P	45.6	Very low	42.4	Very low	88 Å²	88	112.6 Å²	112.6	57%	0.571	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-63	123.8	-178.3	23.3	-31.4	0	0	0	109.1	Q72 V76	Q72-P74 WeakPolarHBondContact O-CD 3.27Å; Q72-P74 VanDerWaalsContact O-N 3.08Å; P74-V76 HydrophobicContact CB-CG2 4.39Å; P74-V76 PolarHBondContact O-N 2.95Å; P74-V76 VanDerWaalsContact O-N 3.16Å
75	K	48.8	Very low	43.1	Very low	153 Å²	153	107.6 Å²	107.6	67%	0.665	59%	0.593	S	S	*	*			trans	-74.8	101.3	171.6	-74.7	178.5	179.2	173.6	0	108.2	Y73 Q96	Y73-K75 PolarHBondContact O-N 3.05Å; K75-Q96 VanDerWaalsContact CE-OE1 3.28Å; K75-Q96 HydrophobicContact CG-CB 4.35Å; K75-Q96 HydrophobicContact CG-CG 3.96Å
76	V	49.9	Very low	43	Very low	79 Å²	79	102.4 Å²	102.4	48%	0.479	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.5	121.7	177.7	-177.9	0	0	0	0	108.6	P74 F95	P74-V76 HydrophobicContact CB-CG2 4.39Å; P74-V76 PolarHBondContact O-N 2.95Å; P74-V76 VanDerWaalsContact O-N 3.16Å; V76-F95 HydrophobicContact CB-CB 4.38Å; V76-F95 PolarHBondContact N-O 2.85Å; V76-F95 PolarHBondContact O-N 3.11Å
77	T	42	Very low	42.9	Very low	86 Å²	86	97.1 Å²	97.1	53%	0.528	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.5	173.2	-58.6	0	0	0	0	109.6	T92 M93 K94	T77-T92 HydrophobicContact CG2-CG2 3.58Å; T77-M93 CarbonylContact C-O 3.54Å; T77-M93 WeakPolarHBondContact CA-O 3.31Å; T77-K94 HydrophobicContact CG2-CG 4Å
78	L	39	Very low	43.2	Very low	81 Å²	81	95.9 Å²	95.9	42%	0.424	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.2	176.5	-176.1	68.5	0	0	0	109.1	I80 T92 M93 F95	L78-I80 HydrophobicContact CD2-CD1 3.8Å; L78-I80 HydrophobicContact CD2-CG1 3.94Å; L78-I80 HydrophobicContact CG-CD1 4.29Å; L78-I80 HydrophobicContact CG-CG1 3.86Å; L78-T92 CarbonylContact O-C 3.56Å; L78-T92 WeakPolarHBondContact O-CA 3.45Å; L78-M93 HydrophobicContact CB-CB 4.45Å; L78-M93 PolarHBondContact N-O 2.87Å; L78-M93 PolarHBondContact O-N 3.2Å; L78-F95 HydrophobicContact CB-CE2 3.92Å; L78-F95 HydrophobicContact CD2-CE2 4.32Å
79	K	42.3	Very low	43.2	Very low	142 Å²	142	94.7 Å²	94.7	62%	0.617	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	113.2	171.2	-172.7	-174.6	-179.8	-168.9	0	108.4	T90	K79-T90 HydrophobicContact CD-CG2 4.13Å; K79-T90 HydrophobicContact CG-CG2 3.66Å
80	I	44.6	Very low	43.3	Very low	66 Å²	66	91.8 Å²	91.8	34%	0.338	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	111.8	176.1	-53.4	177.2	0	0	0	107.1	L78 T90 K91	L78-I80 HydrophobicContact CD2-CD1 3.8Å; L78-I80 HydrophobicContact CD2-CG1 3.94Å; L78-I80 HydrophobicContact CG-CD1 4.29Å; L78-I80 HydrophobicContact CG-CG1 3.86Å; I80-T90 CarbonylContact O-C 3.55Å; I80-T90 WeakPolarHBondContact O-CA 3.34Å; I80-K91 PolarHBondContact N-O 3.47Å; I80-K91 PolarHBondContact O-N 2.75Å
81	T	41.6	Very low	43	Very low	67 Å²	67	89.8 Å²	89.8	41%	0.411	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.6	169.6	-63.6	0	0	0	0	108.1	E88 T90	T81-E88 HydrophobicContact CG2-CG 3.69Å; T81-E88 WeakPolarHBondContact CG2-OE1 3.03Å; T81-T90 PolarHBondContact OG1-OG1 3.43Å
82	E	41.4	Very low	42.9	Very low	63 Å²	63	85.4 Å²	85.4	29%	0.294	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.1	-175.7	-168.3	175.9	-166.6	0	0	108.6	V84 M89 K91	E82-V84 HydrophobicContact CG-CG2 3.86Å; E82-M89 PolarHBondContact N-O 2.88Å; E82-M89 PolarHBondContact O-N 3.12Å; E82-K91 IonicContact OE2-NZ 2.9Å; E82-K91 PolarHBondContact OE2-NZ 3.34Å
83	I	41.2	Very low	42.6	Very low	107 Å²	107	78.8 Å²	78.8	55%	0.549	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.8	175.8	-57.5	173.9	0	0	0	107	Q87 L112	I83-Q87 WeakPolarHBondContact CA-O 3.47Å; I83-L112 HydrophobicContact CG2-CD1 4.15Å
84	V	43.8	Very low	42.5	Very low	39 Å²	39	76.5 Å²	76.5	24%	0.236	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	109.2	179.5	-175.1	0	0	0	0	108.4	E82 D86 Q87 M89	E82-V84 HydrophobicContact CG-CG2 3.86Å; V84-D86 PolarHBondContact O-N 3.17Å; V84-Q87 PolarHBondContact N-O 2.93Å; V84-Q87 PolarHBondContact O-N 3.21Å; V84-M89 HydrophobicContact CB-CE 3.93Å; V84-M89 HydrophobicContact CG2-CE 3.57Å
85	G	44.8	Very low	42.4	Very low	44 Å²	44	76.6 Å²	76.6	45%	0.454	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	-123.3	-174.4	0	0	0	0	0	111.7
86	D	36.4	Very low	42	Very low	55 Å²	55	74.6 Å²	74.6	29%	0.294	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	8.8	173.8	65.2	-26.8	0	0	0	112.9	V84 I111 L112	V84-D86 PolarHBondContact O-N 3.17Å; D86-I111 CarbonylContact O-C 3.58Å; D86-I111 WeakPolarHBondContact O-CA 3.22Å; D86-I111 WeakPolarHBondContact OD2-CG2 3.29Å; D86-L112 WeakPolarHBondContact O-CB 3.46Å; D86-L112 PolarHBondContact O-N 3Å
87	Q	32.5	Very low	42.2	Very low	69 Å²	69	73 Å²	73	32%	0.322	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.6	-174.9	-63	-179	10	0	0	111.7	I83 V84 P109	I83-Q87 WeakPolarHBondContact CA-O 3.47Å; V84-Q87 PolarHBondContact N-O 2.93Å; V84-Q87 PolarHBondContact O-N 3.21Å; Q87-P109 HydrophobicContact CB-CB 4.06Å; Q87-P109 HydrophobicContact CG-CB 4.07Å
88	E	40	Very low	42.3	Very low	73 Å²	73	75.2 Å²	75.2	34%	0.341	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.1	166	-169.8	-179.2	169.2	0	0	109.6	T81 T110	T81-E88 HydrophobicContact CG2-CG 3.69Å; T81-E88 WeakPolarHBondContact CG2-OE1 3.03Å; E88-T110 PolarHBondContact N-O 3.46Å
89	M	40.4	Very low	42.5	Very low	63 Å²	63	78.1 Å²	78.1	31%	0.31	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.3	175.6	-74	-165.1	-80.1	0	0	110.1	E82 V84	E82-M89 PolarHBondContact N-O 2.88Å; E82-M89 PolarHBondContact O-N 3.12Å; V84-M89 HydrophobicContact CB-CE 3.93Å; V84-M89 HydrophobicContact CG2-CE 3.57Å
90	T	44.3	Very low	42.3	Very low	43 Å²	43	76.1 Å²	76.1	26%	0.264	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.2	174.3	-65	0	0	0	0	110.2	K79 I80 T81 S105	K79-T90 HydrophobicContact CD-CG2 4.13Å; K79-T90 HydrophobicContact CG-CG2 3.66Å; I80-T90 CarbonylContact O-C 3.55Å; I80-T90 WeakPolarHBondContact O-CA 3.34Å; T81-T90 PolarHBondContact OG1-OG1 3.43Å; T90-S105 PolarHBondContact O-OG 2.78Å
91	K	45.3	Very low	42.1	Very low	77 Å²	77	80.1 Å²	80.1	34%	0.335	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.4	171.4	-66.5	169.7	-173.6	147.9	0	108.6	I80 E82	I80-K91 PolarHBondContact N-O 3.47Å; I80-K91 PolarHBondContact O-N 2.75Å; E82-K91 IonicContact OE2-NZ 2.9Å; E82-K91 PolarHBondContact OE2-NZ 3.34Å
92	T	43.2	Very low	41.9	Very low	36 Å²	36	86.5 Å²	86.5	22%	0.221	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.8	175.5	-54.5	0	0	0	0	109.2	T77 L78	T77-T92 HydrophobicContact CG2-CG2 3.58Å; L78-T92 CarbonylContact O-C 3.56Å; L78-T92 WeakPolarHBondContact O-CA 3.45Å
93	M	42	Very low	41.8	Very low	49 Å²	49	89.6 Å²	89.6	24%	0.241	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.2	175.2	-60.9	-177.6	-177	0	0	109.1	T77 L78 F95	T77-M93 CarbonylContact C-O 3.54Å; T77-M93 WeakPolarHBondContact CA-O 3.31Å; L78-M93 HydrophobicContact CB-CB 4.45Å; L78-M93 PolarHBondContact N-O 2.87Å; L78-M93 PolarHBondContact O-N 3.2Å; M93-F95 HydrophobicContact CB-CD2 4.49Å; M93-F95 HydrophobicContact CB-CE2 3.65Å; M93-F95 HydrophobicContact CB-CZ 3.7Å; M93-F95 HydrophobicContact CG-CZ 4.47Å; M93-F95 HydrophobicContact SD-CZ 3.99Å
94	K	43.4	Very low	41.5	Very low	126 Å²	126	88.9 Å²	88.9	55%	0.548	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.3	174.4	-65.5	-177.8	178.7	-179	0	107.9	T77	T77-K94 HydrophobicContact CG2-CG 4Å
95	F	43.1	Very low	41.4	Very low	91 Å²	91	89.7 Å²	89.7	40%	0.399	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.7	178.7	-56	-83	0	0	0	108.4	V76 L78 M93	V76-F95 HydrophobicContact CB-CB 4.38Å; V76-F95 PolarHBondContact N-O 2.85Å; V76-F95 PolarHBondContact O-N 3.11Å; L78-F95 HydrophobicContact CB-CE2 3.92Å; L78-F95 HydrophobicContact CD2-CE2 4.32Å; M93-F95 HydrophobicContact CB-CD2 4.49Å; M93-F95 HydrophobicContact CB-CE2 3.65Å; M93-F95 HydrophobicContact CB-CZ 3.7Å; M93-F95 HydrophobicContact CG-CZ 4.47Å; M93-F95 HydrophobicContact SD-CZ 3.99Å
96	Q	40.1	Very low	41.1	Very low	110 Å²	110	95.9 Å²	95.9	51%	0.514	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	101.6	175.1	-174.2	-178.9	-4.5	0	0	108.5	K75	K75-Q96 VanDerWaalsContact CE-OE1 3.28Å; K75-Q96 HydrophobicContact CG-CB 4.35Å; K75-Q96 HydrophobicContact CG-CG 3.96Å
97	G	54.2	Low	41.4	Very low	45 Å²	45	102.2 Å²	102.2	46%	0.464	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	-150.6	-178.6	0	0	0	0	0	113.7	E99	G97-E99 PolarHBondContact O-N 3.46Å
98	S	45.4	Very low	41.7	Very low	134 Å²	134	107.1 Å²	107.1	94%	0.937	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	1.4	-177.5	35.2	0	0	0	0	115
99	E	41.8	Very low	41.5	Very low	142 Å²	142	106.5 Å²	106.5	66%	0.664	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.4	176.5	-67.6	-172	173.7	0	0	110.5	G97	G97-E99 PolarHBondContact O-N 3.46Å
100	S	37.8	Very low	41.4	Very low	99 Å²	99	107.6 Å²	107.6	69%	0.692	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.3	114.6	169.3	66.7	0	0	0	0	109.5
101	K	40.3	Very low	40.9	Very low	151 Å²	151	110.8 Å²	110.8	66%	0.657	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.1	107.4	170.7	-82.7	-175.4	178.7	174.8	0	109.5	M103	K101-M103 PolarHBondContact O-N 2.8Å
102	R	37.8	Very low	40.5	Very low	201 Å²	201	110.2 Å²	110.2	76%	0.758	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.3	99	173	-164	179.9	-165.9	179.9	5.1	108.9	C104	R102-C104 PolarHBondContact O-N 2.96Å
103	M	40.8	Very low	40	Very low	128 Å²	128	118.4 Å²	118.4	63%	0.631	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.8	102.3	174.8	-66.7	-89.7	-76	0	0	108.4	K101 S105	K101-M103 PolarHBondContact O-N 2.8Å; M103-S105 PolarHBondContact O-N 3.04Å
104	C	33.6	Very low	39.8	Very low	91 Å²	91	123.2 Å²	123.2	62%	0.615	63%	0.629	S	S	*	*			trans	-70	96.7	163.7	-86.9	0	0	0	0	107.8	R102 H106	R102-C104 PolarHBondContact O-N 2.96Å; C104-H106 PolarHBondContact O-N 2.98Å
105	S	41.8	Very low	39.5	Very low	57 Å²	57	122.6 Å²	122.6	40%	0.399	64%	0.637	S	S	.	*			trans	-72.9	82.4	166.1	55.3	0	0	0	0	108.3	T90 M103 K107	T90-S105 PolarHBondContact O-OG 2.78Å; M103-S105 PolarHBondContact O-N 3.04Å; S105-K107 PolarHBondContact O-N 3.38Å
106	H	39.1	Very low	39.5	Very low	174 Å²	174	120.5 Å²	120.5	81%	0.806	64%	0.641	S	S	*	*			trans	-68.2	79	162.5	-76	9.1	0	0	0	108.1	C104	C104-H106 PolarHBondContact O-N 2.98Å
107	K	41.7	Very low	39.9	Very low	188 Å²	188	118.9 Å²	118.9	82%	0.817	64%	0.641	S	S	*	*			trans	-97.5	123.3	150	-71.2	-169.8	176.2	-172.6	0	104.7	S105	S105-K107 PolarHBondContact O-N 3.38Å
108	H	39.2	Very low	39.6	Very low	172 Å²	172	122.7 Å²	122.7	80%	0.796	65%	0.645	S	S	*	*			trans	-34.4	134.4	-172.8	-66.4	-85.4	0	0	0	113.1	T110	H108-T110 PolarHBondContact O-N 3.16Å
109	P	37.1	Very low	39.7	Very low	60 Å²	60	118 Å²	118	39%	0.39	62%	0.619	S	S	.	*			trans	-54.6	128.8	179.3	21.6	-30.9	0	0	0	109.5	Q87 I111	Q87-P109 HydrophobicContact CB-CB 4.06Å; Q87-P109 HydrophobicContact CG-CB 4.07Å; P109-I111 PolarHBondContact O-N 3.17Å
110	T	37.4	Very low	40.2	Very low	86 Å²	86	117.4 Å²	117.4	53%	0.528	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79	110.2	175.9	-57.5	0	0	0	0	107.3	E88 H108 L112	E88-T110 PolarHBondContact N-O 3.46Å; H108-T110 PolarHBondContact O-N 3.16Å; T110-L112 PolarHBondContact O-N 3.05Å
111	I	34.4	Very low	40.9	Very low	110 Å²	110	117.4 Å²	117.4	56%	0.564	60%	0.599	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.1	108.3	176.2	-58.6	173.6	0	0	0	107.9	D86 P109 K113	D86-I111 CarbonylContact O-C 3.58Å; D86-I111 WeakPolarHBondContact O-CA 3.22Å; D86-I111 WeakPolarHBondContact OD2-CG2 3.29Å; P109-I111 PolarHBondContact O-N 3.17Å; I111-K113 PolarHBondContact O-N 3.35Å
112	L	35.6	Very low	41.7	Very low	64 Å²	64	111 Å²	111	34%	0.335	57%	0.572	S	S	.	*			trans	-71.6	115.2	173.6	-63.1	171.1	0	0	0	108	I83 D86 T110 N114	I83-L112 HydrophobicContact CG2-CD1 4.15Å; D86-L112 WeakPolarHBondContact O-CB 3.46Å; D86-L112 PolarHBondContact O-N 3Å; T110-L112 PolarHBondContact O-N 3.05Å; L112-N114 PolarHBondContact O-N 3.04Å
113	K	33	Very low	42.5	Very low	208 Å²	208	106.7 Å²	106.7	90%	0.904	56%	0.564	S	S	*	*	S	Bend	trans	-65.9	60	-179.8	-69.4	-177.9	175	179.5	0	113.3	I111	I111-K113 PolarHBondContact O-N 3.35Å
114	N	37.9	Very low	43.2	Very low	150 Å²	150	103.2 Å²	103.2	80%	0.802	55%	0.547	S	S	*	.			trans	-143.3	58.4	173.4	-135.3	-7.9	0	0	0	110.8	L112 G116	L112-N114 PolarHBondContact O-N 3.04Å; N114-G116 PolarHBondContact O-N 3.22Å
115	T	37.4	Very low	44.6	Very low	114 Å²	114	99 Å²	99	70%	0.699	52%	0.519	S	S	*	.			trans	-76.1	95.1	166.4	46.7	0	0	0	0	108	S117	T115-S117 PolarHBondContact O-N 3.44Å
116	G	43.4	Very low	45.7	Very low	47 Å²	47	97.6 Å²	97.6	49%	0.485	51%	0.507	S	S	.	.			trans	-52.9	141.8	164	0	0	0	0	0	109.4	N114 F118	N114-G116 PolarHBondContact O-N 3.22Å; G116-F118 PolarHBondContact O-N 3.49Å
117	S	47.9	Very low	46.7	Very low	75 Å²	75	92.9 Å²	92.9	52%	0.524	49%	0.486	S	S	.	.			trans	-51.8	142.8	178.9	57.2	0	0	0	0	110.9	T115 G119 K120	T115-S117 PolarHBondContact O-N 3.44Å; S117-G119 PolarHBondContact O-N 3.43Å; S117-K120 WeakPolarHBondContact O-CA 3.49Å; S117-K120 WeakPolarHBondContact O-CB 3.5Å; S117-K120 PolarHBondContact O-N 3.09Å
118	F	49.1	Very low	47.8	Very low	125 Å²	125	84.6 Å²	84.6	55%	0.548	45%	0.451	S	S	.	.	H	α-helix	trans	-48.5	-35.8	-179	-179.7	-106.8	0	0	0	112.7	G116 K120 W121 V122 Y159	G116-F118 PolarHBondContact O-N 3.49Å; F118-K120 VanDerWaalsContact C-N 3.32Å; F118-K120 PolarHBondContact O-N 2.91Å; F118-W121 WeakPolarHBondContact O-CA 3.48Å; F118-W121 VanDerWaalsContact O-CB 3.3Å; F118-W121 WeakPolarHBondContact O-CB 3.28Å; F118-W121 PolarHBondContact O-N 3.39Å; F118-V122 HydrophobicContact CD1-CG2 4.02Å; F118-V122 HydrophobicContact CE1-CG2 3.68Å; F118-V122 HydrophobicContact CZ-CG2 4.01Å; F118-V122 WeakPolarHBondContact O-CG2 3.3Å; F118-V122 PolarHBondContact O-N 2.95Å; F118-Y159 HydrophobicContact CE1-CD1 4.3Å; F118-Y159 AromaticContact CZ-CD1 3.77Å; F118-Y159 HydrophobicContact CZ-CD1 3.77Å; F118-Y159 HydrophobicContact CZ-CE1 4.11Å; F118-Y159 HydrophobicContact CZ-CG 4.37Å
119	G	47.4	Very low	49.6	Very low	37 Å²	37	78 Å²	78	38%	0.381	42%	0.419	S	S	.	.	H	α-helix	trans	-59.8	-32.9	174	0	0	0	0	0	115	S117 W121 V122 N123	S117-G119 PolarHBondContact O-N 3.43Å; G119-W121 VanDerWaalsContact C-N 3.32Å; G119-V122 PolarHBondContact O-N 3.05Å; G119-N123 VanDerWaalsContact O-CG 3.24Å; G119-N123 PolarHBondContact O-N 2.89Å; G119-N123 PolarHBondContact O-ND2 2.97Å
120	K	51.7	Low	51.3	Low	128 Å²	128	79.6 Å²	79.6	56%	0.557	42%	0.421	S	S	*	.	H	α-helix	trans	-66.5	-36.7	172.1	-70.9	-178	178.7	-178.6	0	111.5	S117 F118 M124	S117-K120 WeakPolarHBondContact O-CA 3.49Å; S117-K120 WeakPolarHBondContact O-CB 3.5Å; S117-K120 PolarHBondContact O-N 3.09Å; F118-K120 VanDerWaalsContact C-N 3.32Å; F118-K120 PolarHBondContact O-N 2.91Å; K120-M124 WeakPolarHBondContact O-CB 3.27Å; K120-M124 VanDerWaalsContact O-CG 3.3Å; K120-M124 WeakPolarHBondContact O-CG 3.14Å; K120-M124 PolarHBondContact O-N 3.45Å; K120-M124 VanDerWaalsContact O-N 3.08Å
121	W	52.5	Low	52.4	Low	99 Å²	99	78.2 Å²	78.2	38%	0.375	41%	0.406	S	S	.	.	H	α-helix	trans	-68.6	-41.6	177.2	-156.8	88.1	0	0	0	111.5	F118 G119 M124 V125 W151 F155	F118-W121 WeakPolarHBondContact O-CA 3.48Å; F118-W121 VanDerWaalsContact O-CB 3.3Å; F118-W121 WeakPolarHBondContact O-CB 3.28Å; F118-W121 PolarHBondContact O-N 3.39Å; G119-W121 VanDerWaalsContact C-N 3.32Å; W121-M124 WeakPolarHBondContact O-CB 3.46Å; W121-M124 PolarHBondContact O-N 2.9Å; W121-V125 HydrophobicContact CD2-CG2 4.33Å; W121-V125 HydrophobicContact CE3-CG2 3.75Å; W121-V125 HydrophobicContact CH2-CG2 4.1Å; W121-V125 HydrophobicContact CZ3-CG2 3.6Å; W121-V125 WeakPolarHBondContact O-CG2 3.49Å; W121-V125 PolarHBondContact O-N 3.35Å; W121-V125 VanDerWaalsContact O-N 3.09Å; W121-W151 AromaticContact CH2-CH2 3.74Å; W121-W151 HydrophobicContact CH2-CH2 3.74Å; W121-W151 HydrophobicContact CH2-CZ2 4.23Å; W121-W151 HydrophobicContact CZ3-CH2 4.3Å; W121-F155 HydrophobicContact CE3-CE1 4.35Å; W121-F155 HydrophobicContact CE3-CE2 4.03Å; W121-F155 AromaticContact CE3-CZ 3.67Å; W121-F155 HydrophobicContact CE3-CZ 3.67Å; W121-F155 HydrophobicContact CH2-CE2 4.32Å; W121-F155 AromaticContact CZ3-CD2 3.98Å; W121-F155 HydrophobicContact CZ3-CD2 3.98Å; W121-F155 HydrophobicContact CZ3-CE1 4.17Å; W121-F155 AromaticContact CZ3-CE2 3.33Å; W121-F155 HydrophobicContact CZ3-CE2 3.33Å; W121-F155 AromaticContact CZ3-CZ 3.43Å; W121-F155 HydrophobicContact CZ3-CZ 3.43Å; W121-F155 VanDerWaalsContact CZ3-CZ 3.43Å
122	V	55.8	Low	53.9	Low	17 Å²	17	73.6 Å²	73.6	10%	0.103	38%	0.383	C	S	.	.	H	α-helix	trans	-56.7	-55.5	172.5	172.3	0	0	0	0	110.3	F118 G119 M124 V125 V126 F155 V160	F118-V122 HydrophobicContact CD1-CG2 4.02Å; F118-V122 HydrophobicContact CE1-CG2 3.68Å; F118-V122 HydrophobicContact CZ-CG2 4.01Å; F118-V122 WeakPolarHBondContact O-CG2 3.3Å; F118-V122 PolarHBondContact O-N 2.95Å; G119-V122 PolarHBondContact O-N 3.05Å; V122-M124 PolarHBondContact O-N 3.5Å; V122-M124 VanDerWaalsContact O-N 3.17Å; V122-V125 PolarHBondContact O-N 3.34Å; V122-V126 HydrophobicContact CG1-CG2 4.46Å; V122-V126 WeakPolarHBondContact O-CG2 3.47Å; V122-V126 PolarHBondContact O-N 2.65Å; V122-F155 HydrophobicContact CG2-CE1 4.26Å; V122-F155 HydrophobicContact CG2-CZ 4.18Å; V122-V160 HydrophobicContact CG1-CG2 3.47Å; V122-V160 VanDerWaalsContact CG1-CG2 3.47Å
123	N	55.9	Low	55.9	Low	111 Å²	111	75.3 Å²	75.3	59%	0.594	39%	0.385	S	S	*	.	H	α-helix	trans	-55.3	-37.3	179.7	-70.4	-16.2	0	0	0	113	G119 V126 E127	G119-N123 VanDerWaalsContact O-CG 3.24Å; G119-N123 PolarHBondContact O-N 2.89Å; G119-N123 PolarHBondContact O-ND2 2.97Å; N123-V126 WeakPolarHBondContact O-CB 3.3Å; N123-V126 PolarHBondContact O-N 2.62Å; N123-E127 PolarHBondContact O-N 3.12Å
124	M	56.1	Low	57.5	Low	54 Å²	54	73.3 Å²	73.3	27%	0.266	37%	0.371	S	S	.	.	H	α-helix	trans	-64	-43.8	175.8	-85.1	179.2	-176	0	0	112.8	L29 K120 W121 V122 V126 E127 V128	L29-M124 HydrophobicContact CB-SD 4.39Å; L29-M124 HydrophobicContact CD1-CB 4.48Å; L29-M124 HydrophobicContact CD1-SD 3.97Å; L29-M124 HydrophobicContact CD2-CB 3.54Å; L29-M124 HydrophobicContact CD2-CG 3.75Å; L29-M124 HydrophobicContact CD2-SD 3.81Å; L29-M124 HydrophobicContact CG-SD 4.25Å; K120-M124 WeakPolarHBondContact O-CB 3.27Å; K120-M124 VanDerWaalsContact O-CG 3.3Å; K120-M124 WeakPolarHBondContact O-CG 3.14Å; K120-M124 PolarHBondContact O-N 3.45Å; K120-M124 VanDerWaalsContact O-N 3.08Å; W121-M124 WeakPolarHBondContact O-CB 3.46Å; W121-M124 PolarHBondContact O-N 2.9Å; V122-M124 PolarHBondContact O-N 3.5Å; V122-M124 VanDerWaalsContact O-N 3.17Å; M124-V126 VanDerWaalsContact C-N 3.32Å; M124-V126 PolarHBondContact O-N 3.4Å; M124-E127 PolarHBondContact O-N 3.41Å; M124-V128 VanDerWaalsContact O-CG2 3.31Å; M124-V128 WeakPolarHBondContact O-CG2 3.43Å; M124-V128 PolarHBondContact O-N 3Å
125	V	61.2	Low	58.4	Low	4 Å²	4	68.1 Å²	68.1	2%	0.024	34%	0.344	C	S	.	.	H	α-helix	trans	-66.6	-36.1	176.7	179	0	0	0	0	111.2	W121 V122 V128 R129 W151 C152 F155	W121-V125 HydrophobicContact CD2-CG2 4.33Å; W121-V125 HydrophobicContact CE3-CG2 3.75Å; W121-V125 HydrophobicContact CH2-CG2 4.1Å; W121-V125 HydrophobicContact CZ3-CG2 3.6Å; W121-V125 WeakPolarHBondContact O-CG2 3.49Å; W121-V125 PolarHBondContact O-N 3.35Å; W121-V125 VanDerWaalsContact O-N 3.09Å; V122-V125 PolarHBondContact O-N 3.34Å; V125-V128 PolarHBondContact O-N 2.88Å; V125-R129 WeakPolarHBondContact O-CB 3.38Å; V125-R129 PolarHBondContact O-N 2.94Å; V125-W151 HydrophobicContact CG1-CZ3 3.93Å; V125-W151 HydrophobicContact CG2-CH2 4.3Å; V125-W151 HydrophobicContact CG2-CZ3 4.29Å; V125-C152 HydrophobicContact CG1-CB 4.36Å; V125-F155 HydrophobicContact CB-CD1 3.8Å; V125-F155 HydrophobicContact CB-CE1 3.95Å; V125-F155 HydrophobicContact CG1-CB 4.12Å; V125-F155 HydrophobicContact CG1-CD1 3.41Å; V125-F155 VanDerWaalsContact CG1-CD1 3.41Å; V125-F155 HydrophobicContact CG1-CE1 4.09Å; V125-F155 HydrophobicContact CG1-CG 3.89Å; V125-F155 HydrophobicContact CG2-CD1 4.2Å; V125-F155 HydrophobicContact CG2-CE1 4.13Å
126	V	64.9	Low	59.8	Low	26 Å²	26	64 Å²	64	16%	0.158	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-49.2	173.1	178.5	0	0	0	0	111.4	V122 N123 M124 V128 R129 E130 W156 V160	V122-V126 HydrophobicContact CG1-CG2 4.46Å; V122-V126 WeakPolarHBondContact O-CG2 3.47Å; V122-V126 PolarHBondContact O-N 2.65Å; N123-V126 WeakPolarHBondContact O-CB 3.3Å; N123-V126 PolarHBondContact O-N 2.62Å; M124-V126 VanDerWaalsContact C-N 3.32Å; M124-V126 PolarHBondContact O-N 3.4Å; V126-V128 VanDerWaalsContact C-N 3.34Å; V126-V128 PolarHBondContact O-N 3.11Å; V126-R129 WeakPolarHBondContact O-CB 3.22Å; V126-R129 PolarHBondContact O-N 3.14Å; V126-E130 PolarHBondContact O-N 3.4Å; V126-E130 VanDerWaalsContact O-N 3.1Å; V126-W156 HydrophobicContact CB-CE3 4.35Å; V126-W156 HydrophobicContact CB-CZ3 3.99Å; V126-W156 HydrophobicContact CG1-CE3 4.18Å; V126-W156 HydrophobicContact CG1-CH2 4.44Å; V126-W156 HydrophobicContact CG1-CZ3 3.5Å; V126-W156 VanDerWaalsContact CG1-CZ3 3.5Å; V126-W156 HydrophobicContact CG2-CE3 3.63Å; V126-W156 HydrophobicContact CG2-CZ3 3.35Å; V126-V160 HydrophobicContact CG2-CG2 4.35Å
127	E	60.1	Low	61.1	Low	76 Å²	76	66.5 Å²	66.5	36%	0.355	33%	0.327	S	S	.	.	H	α-helix	trans	-64	-39.8	-178.8	-171.7	176.4	-179.6	0	0	111.8	N123 M124 R131	N123-E127 PolarHBondContact O-N 3.12Å; M124-E127 PolarHBondContact O-N 3.41Å; E127-R131 WeakPolarHBondContact O-CB 3.29Å; E127-R131 VanDerWaalsContact O-CG 3.29Å; E127-R131 WeakPolarHBondContact O-CG 3.13Å; E127-R131 PolarHBondContact O-N 2.77Å; E127-R131 VanDerWaalsContact O-N 3.16Å; E127-R131 IonicContact OE1-CZ 2.66Å; E127-R131 IonicContact OE1-NE 3.52Å; E127-R131 IonicContact OE1-NH1 3.4Å; E127-R131 PolarHBondContact OE1-NH1 3.45Å; E127-R131 IonicContact OE1-NH2 3.52Å; E127-R131 PolarHBondContact OE1-NH2 2.7Å
128	V	66	Low	61.9	Low	13 Å²	13	65 Å²	65	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-43.6	174.6	170	0	0	0	0	111.3	I28 L29 M124 V125 V126 R131 L132	I28-V128 HydrophobicContact CG2-CG2 3.98Å; L29-V128 HydrophobicContact CD2-CG2 4.15Å; M124-V128 VanDerWaalsContact O-CG2 3.31Å; M124-V128 WeakPolarHBondContact O-CG2 3.43Å; M124-V128 PolarHBondContact O-N 3Å; V125-V128 PolarHBondContact O-N 2.88Å; V126-V128 VanDerWaalsContact C-N 3.34Å; V126-V128 PolarHBondContact O-N 3.11Å; V128-R131 PolarHBondContact O-N 3.32Å; V128-L132 HydrophobicContact CG1-CD1 3.71Å; V128-L132 HydrophobicContact CG1-CG 4.38Å; V128-L132 WeakPolarHBondContact O-CB 3.21Å; V128-L132 PolarHBondContact O-N 2.81Å
129	R	77	Confident	62.5	Low	34 Å²	34	68 Å²	68	13%	0.128	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-50.9	177.8	-176	-177.7	168.4	-120.4	17.9	111.9	V125 V126 R131 R133 L149 C152 D153	V125-R129 WeakPolarHBondContact O-CB 3.38Å; V125-R129 PolarHBondContact O-N 2.94Å; V126-R129 WeakPolarHBondContact O-CB 3.22Å; V126-R129 PolarHBondContact O-N 3.14Å; R129-R131 VanDerWaalsContact C-N 3.33Å; R129-R131 PolarHBondContact O-N 3.47Å; R129-R133 VanDerWaalsContact NE-NH2 3.18Å; R129-R133 PolarHBondContact O-N 3Å; R129-L149 HydrophobicContact CG-CD1 4.1Å; R129-C152 HydrophobicContact CB-CB 3.8Å; R129-C152 HydrophobicContact CG-CB 3.98Å; R129-D153 IonicContact CZ-OD1 3.02Å; R129-D153 IonicContact NE-OD1 2.62Å; R129-D153 PolarHBondContact NE-OD1 2.77Å; R129-D153 IonicContact NH2-OD1 3.97Å
130	E	72.3	Confident	62.4	Low	93 Å²	93	69.6 Å²	69.6	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-40.8	-178.9	-70.2	-167.4	162.2	0	0	112.1	V126 R133 R134	V126-E130 PolarHBondContact O-N 3.4Å; V126-E130 VanDerWaalsContact O-N 3.1Å; E130-R133 PolarHBondContact O-N 3.02Å; E130-R134 WeakPolarHBondContact O-CG 3.46Å; E130-R134 PolarHBondContact O-N 3.08Å; E130-R134 IonicContact OE2-NH2 3.77Å
131	R	60.1	Low	62.3	Low	58 Å²	58	65.7 Å²	65.7	22%	0.219	32%	0.316	C	S	.	.	H	α-helix	trans	-70	-43.3	-179.3	-73	176.3	175.4	-179.4	1.7	112.5	N32 E127 V128 R129 R133 R134 L135	N32-R131 VanDerWaalsContact CG-NH1 3.28Å; N32-R131 PolarHBondContact OD1-NH1 3.3Å; E127-R131 WeakPolarHBondContact O-CB 3.29Å; E127-R131 VanDerWaalsContact O-CG 3.29Å; E127-R131 WeakPolarHBondContact O-CG 3.13Å; E127-R131 PolarHBondContact O-N 2.77Å; E127-R131 VanDerWaalsContact O-N 3.16Å; E127-R131 IonicContact OE1-CZ 2.66Å; E127-R131 IonicContact OE1-NE 3.52Å; E127-R131 IonicContact OE1-NH1 3.4Å; E127-R131 PolarHBondContact OE1-NH1 3.45Å; E127-R131 IonicContact OE1-NH2 3.52Å; E127-R131 PolarHBondContact OE1-NH2 2.7Å; V128-R131 PolarHBondContact O-N 3.32Å; R129-R131 VanDerWaalsContact C-N 3.33Å; R129-R131 PolarHBondContact O-N 3.47Å; R131-R133 VanDerWaalsContact C-N 3.29Å; R131-R133 PolarHBondContact O-N 2.96Å; R131-R134 PolarHBondContact O-N 2.78Å; R131-L135 WeakPolarHBondContact O-CG 3.49Å; R131-L135 PolarHBondContact O-N 2.87Å
132	L	65.6	Low	62.3	Low	13 Å²	13	64.3 Å²	64.3	7%	0.068	32%	0.321	C	S	.	.	H	α-helix	trans	-58.2	-42.8	175.2	-84.7	168.2	0	0	0	111.2	V128 R134 L135 L136 L141 F145 I148 L149	V128-L132 HydrophobicContact CG1-CD1 3.71Å; V128-L132 HydrophobicContact CG1-CG 4.38Å; V128-L132 WeakPolarHBondContact O-CB 3.21Å; V128-L132 PolarHBondContact O-N 2.81Å; L132-R134 PolarHBondContact O-N 3.4Å; L132-L135 PolarHBondContact O-N 3.07Å; L132-L136 VanDerWaalsContact O-CB 3.3Å; L132-L136 WeakPolarHBondContact O-CB 3.43Å; L132-L136 WeakPolarHBondContact O-CD1 3.23Å; L132-L136 VanDerWaalsContact O-CG 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.28Å; L132-L141 HydrophobicContact CD2-CD1 3.79Å; L132-F145 HydrophobicContact CD2-CB 4.35Å; L132-F145 HydrophobicContact CD2-CD1 4.28Å; L132-I148 HydrophobicContact CD1-CB 4.16Å; L132-I148 HydrophobicContact CD1-CG2 3.56Å; L132-L149 HydrophobicContact CB-CD1 4.32Å
133	R	78.2	Confident	62.6	Low	99 Å²	99	72.1 Å²	72.1	37%	0.374	35%	0.353	S	S	.	.	H	α-helix	trans	-58.3	-49.1	175.1	-77	179.7	-174.7	174.7	-6.4	112.8	R129 E130 R131 L135 L136 S137 L149 D153	R129-R133 VanDerWaalsContact NE-NH2 3.18Å; R129-R133 PolarHBondContact O-N 3Å; E130-R133 PolarHBondContact O-N 3.02Å; R131-R133 VanDerWaalsContact C-N 3.29Å; R131-R133 PolarHBondContact O-N 2.96Å; R133-L135 PolarHBondContact O-N 3.01Å; R133-L136 PolarHBondContact O-N 3.48Å; R133-S137 WeakPolarHBondContact O-CB 3.17Å; R133-S137 PolarHBondContact O-N 3.2Å; R133-S137 PolarHBondContact O-OG 2.77Å; R133-L149 HydrophobicContact CG-CD1 3.57Å; R133-L149 HydrophobicContact CG-CD2 3.69Å; R133-L149 HydrophobicContact CG-CG 4.27Å; R133-D153 IonicContact CZ-OD1 3.57Å; R133-D153 IonicContact NE-OD1 3.73Å; R133-D153 IonicContact NH2-OD1 3.84Å; R133-D153 PolarHBondContact NH2-OD1 3.24Å; R133-D153 IonicContact NH2-OD2 2.71Å
134	R	66.9	Low	62.7	Low	166 Å²	166	72.6 Å²	72.6	63%	0.626	35%	0.35	S	S	*	.	H	α-helix	trans	-60	-47.5	179.9	-68.3	179.8	-166.7	173.4	8	110.7	E130 R131 L132 S137 A138	E130-R134 WeakPolarHBondContact O-CG 3.46Å; E130-R134 PolarHBondContact O-N 3.08Å; E130-R134 IonicContact OE2-NH2 3.77Å; R131-R134 PolarHBondContact O-N 2.78Å; L132-R134 PolarHBondContact O-N 3.4Å; R134-S137 PolarHBondContact O-N 2.81Å; R134-S137 PolarHBondContact O-OG 2.82Å; R134-A138 WeakPolarHBondContact O-CB 3.45Å; R134-A138 PolarHBondContact O-N 2.8Å
135	L	57	Low	62.8	Low	42 Å²	42	72.2 Å²	72.2	22%	0.22	35%	0.347	C	S	.	.	H	α-helix	trans	-66.8	-38.9	-178.7	-68.6	172.8	0	0	0	113.5	R131 L132 R133 A138 K139 L140 L141	R131-L135 WeakPolarHBondContact O-CG 3.49Å; R131-L135 PolarHBondContact O-N 2.87Å; L132-L135 PolarHBondContact O-N 3.07Å; R133-L135 PolarHBondContact O-N 3.01Å; L135-A138 PolarHBondContact O-N 2.84Å; L135-K139 PolarHBondContact O-N 3.07Å; L135-L140 HydrophobicContact CD2-CB 4.39Å; L135-L140 HydrophobicContact CD2-CD1 4.03Å; L135-L140 PolarHBondContact O-N 3.17Å; L135-L141 HydrophobicContact CB-CD1 3.53Å; L135-L141 HydrophobicContact CB-CG 3.86Å; L135-L141 HydrophobicContact CD1-CD1 3.75Å; L135-L141 HydrophobicContact CD1-CG 4.35Å; L135-L141 HydrophobicContact CG-CD1 4.29Å
136	L	66	Low	63.2	Low	26 Å²	26	75.3 Å²	75.3	14%	0.136	36%	0.363	C	S	.	.	H	α-helix	trans	-67.8	-41.2	175	-75.9	162.3	0	0	0	111.6	L132 R133 A138 K139 L141 F145 D146 L149	L132-L136 VanDerWaalsContact O-CB 3.3Å; L132-L136 WeakPolarHBondContact O-CB 3.43Å; L132-L136 WeakPolarHBondContact O-CD1 3.23Å; L132-L136 VanDerWaalsContact O-CG 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.28Å; R133-L136 PolarHBondContact O-N 3.48Å; L136-A138 VanDerWaalsContact C-N 3.27Å; L136-A138 PolarHBondContact O-N 3.27Å; L136-K139 PolarHBondContact O-N 3.1Å; L136-L141 HydrophobicContact CD2-CB 4.12Å; L136-L141 HydrophobicContact CG-CB 4.49Å; L136-F145 HydrophobicContact CD2-CB 4.17Å; L136-D146 VanDerWaalsContact CD1-OD1 3.3Å; L136-D146 WeakPolarHBondContact CD1-OD1 3.47Å; L136-L149 HydrophobicContact CD1-CB 4.11Å; L136-L149 HydrophobicContact CD1-CD2 3.77Å
137	S	71.1	Confident	63.4	Low	100 Å²	100	79.2 Å²	79.2	70%	0.699	38%	0.382	S	S	*	.	H	α-helix	trans	-62.8	-34.5	175.2	70.5	0	0	0	0	112.8	R133 R134 K139	R133-S137 WeakPolarHBondContact O-CB 3.17Å; R133-S137 PolarHBondContact O-N 3.2Å; R133-S137 PolarHBondContact O-OG 2.77Å; R134-S137 PolarHBondContact O-N 2.81Å; R134-S137 PolarHBondContact O-OG 2.82Å; S137-K139 PolarHBondContact O-N 2.92Å
138	A	64.5	Low	63.7	Low	44 Å²	44	76.3 Å²	76.3	36%	0.364	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	0.8	175	0	0	0	0	0	113.4	R134 L135 L136 L140	R134-A138 WeakPolarHBondContact O-CB 3.45Å; R134-A138 PolarHBondContact O-N 2.8Å; L135-A138 PolarHBondContact O-N 2.84Å; L136-A138 VanDerWaalsContact C-N 3.27Å; L136-A138 PolarHBondContact O-N 3.27Å; A138-L140 HydrophobicContact CB-CD1 3.76Å; A138-L140 HydrophobicContact CB-CG 3.78Å; A138-L140 PolarHBondContact O-N 3.48Å; A138-L140 VanDerWaalsContact O-N 3.12Å
139	K	62.7	Low	64.2	Low	189 Å²	189	76.7 Å²	76.7	82%	0.822	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	22.9	-175.5	-56.6	177.9	-177.5	172.6	0	114.2	L135 L136 S137 L141	L135-K139 PolarHBondContact O-N 3.07Å; L136-K139 PolarHBondContact O-N 3.1Å; S137-K139 PolarHBondContact O-N 2.92Å; K139-L141 VanDerWaalsContact C-N 3.33Å
140	L	44.7	Very low	64.3	Low	69 Å²	69	82 Å²	82	36%	0.361	39%	0.394	S	S	.	.			trans	-82.4	-15.9	-180	-63.3	173.6	0	0	0	112.4	Y44 P46 L135 A138	Y44-L140 HydrophobicContact CE1-CD1 4.18Å; P46-L140 HydrophobicContact CB-CD1 3.79Å; P46-L140 HydrophobicContact CG-CD1 4.4Å; L135-L140 HydrophobicContact CD2-CB 4.39Å; L135-L140 HydrophobicContact CD2-CD1 4.03Å; L135-L140 PolarHBondContact O-N 3.17Å; A138-L140 HydrophobicContact CB-CD1 3.76Å; A138-L140 HydrophobicContact CB-CG 3.78Å; A138-L140 PolarHBondContact O-N 3.48Å; A138-L140 VanDerWaalsContact O-N 3.12Å
141	L	49.8	Very low	64.6	Low	46 Å²	46	82.6 Å²	82.6	24%	0.241	39%	0.392	C	S	.	.	S	Bend	trans	-115.2	144.1	174.7	-70.3	176.5	0	0	0	110.9	L132 L135 L136 K139 F145	L132-L141 HydrophobicContact CD2-CD1 3.79Å; L135-L141 HydrophobicContact CB-CD1 3.53Å; L135-L141 HydrophobicContact CB-CG 3.86Å; L135-L141 HydrophobicContact CD1-CD1 3.75Å; L135-L141 HydrophobicContact CD1-CG 4.35Å; L135-L141 HydrophobicContact CG-CD1 4.29Å; L136-L141 HydrophobicContact CD2-CB 4.12Å; L136-L141 HydrophobicContact CG-CB 4.49Å; K139-L141 VanDerWaalsContact C-N 3.33Å; L141-F145 HydrophobicContact CB-CB 4.47Å; L141-F145 HydrophobicContact CB-CD2 4.33Å; L141-F145 HydrophobicContact CB-CG 4.47Å; L141-F145 HydrophobicContact CD1-CG 4.49Å
142	P	52.2	Low	65.3	Low	71 Å²	71	79.9 Å²	79.9	46%	0.461	38%	0.382	S	S	.	.			trans	-57.4	142.7	171.1	-25.9	35.3	0	0	0	112.1	K144 F145	P142-K144 HydrophobicContact CB-CD 4.4Å; P142-K144 HydrophobicContact CB-CG 3.98Å; P142-K144 PolarHBondContact O-N 3.03Å; P142-F145 HydrophobicContact CB-CD2 4.22Å; P142-F145 HydrophobicContact CB-CE2 4.5Å; P142-F145 HydrophobicContact CG-CD2 4.37Å; P142-F145 HydrophobicContact CG-CE2 4.25Å; P142-F145 WeakPolarHBondContact O-CB 3.46Å; P142-F145 WeakPolarHBondContact O-CD2 3.49Å; P142-F145 PolarHBondContact O-N 3.45Å
143	K	61.4	Low	65.9	Low	180 Å²	180	81.1 Å²	81.1	78%	0.783	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-54.2	-23.7	180	-70.8	-172	177.7	-176.4	0	114.8	F145 D146	K143-F145 PolarHBondContact O-N 3.49Å; K143-F145 VanDerWaalsContact O-N 3.11Å; K143-D146 VanDerWaalsContact O-CB 3.22Å; K143-D146 WeakPolarHBondContact O-CB 3.35Å; K143-D146 PolarHBondContact O-N 3.48Å
144	K	58.3	Low	65.6	Low	122 Å²	122	83.2 Å²	83.2	53%	0.53	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-58.4	-21.4	174.9	66.8	-173.8	178.7	179.2	0	113.7	L15 P142 D146 I147	L15-K144 HydrophobicContact CD1-CD 4.43Å; P142-K144 HydrophobicContact CB-CD 4.4Å; P142-K144 HydrophobicContact CB-CG 3.98Å; P142-K144 PolarHBondContact O-N 3.03Å; K144-D146 PolarHBondContact O-N 3.39Å; K144-I147 PolarHBondContact O-N 2.96Å
145	F	59.8	Low	65.7	Low	46 Å²	46	76 Å²	76	20%	0.202	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-72.6	-10.9	173.9	-75.8	-93.7	0	0	0	113.4	L24 L132 L136 L141 P142 K143 I147 I148 L149	L24-F145 HydrophobicContact CD2-CE1 4.41Å; L132-F145 HydrophobicContact CD2-CB 4.35Å; L132-F145 HydrophobicContact CD2-CD1 4.28Å; L136-F145 HydrophobicContact CD2-CB 4.17Å; L141-F145 HydrophobicContact CB-CB 4.47Å; L141-F145 HydrophobicContact CB-CD2 4.33Å; L141-F145 HydrophobicContact CB-CG 4.47Å; L141-F145 HydrophobicContact CD1-CG 4.49Å; P142-F145 HydrophobicContact CB-CD2 4.22Å; P142-F145 HydrophobicContact CB-CE2 4.5Å; P142-F145 HydrophobicContact CG-CD2 4.37Å; P142-F145 HydrophobicContact CG-CE2 4.25Å; P142-F145 WeakPolarHBondContact O-CB 3.46Å; P142-F145 WeakPolarHBondContact O-CD2 3.49Å; P142-F145 PolarHBondContact O-N 3.45Å; K143-F145 PolarHBondContact O-N 3.49Å; K143-F145 VanDerWaalsContact O-N 3.11Å; F145-I147 PolarHBondContact O-N 3.34Å; F145-I148 HydrophobicContact CD1-CD1 3.74Å; F145-I148 HydrophobicContact CE1-CD1 4.11Å; F145-I148 PolarHBondContact O-N 2.79Å; F145-I148 VanDerWaalsContact O-N 3.12Å; F145-L149 PolarHBondContact O-N 3.3Å; F145-L149 VanDerWaalsContact O-N 3.17Å
146	D	68.2	Low	66.4	Low	69 Å²	69	77.3 Å²	77.3	37%	0.369	38%	0.376	S	S	.	.	H	α-helix	trans	-57.7	-29	170.4	-80.7	-4.9	0	0	0	112	L136 K143 K144 I148 L149 K150	L136-D146 VanDerWaalsContact CD1-OD1 3.3Å; L136-D146 WeakPolarHBondContact CD1-OD1 3.47Å; K143-D146 VanDerWaalsContact O-CB 3.22Å; K143-D146 WeakPolarHBondContact O-CB 3.35Å; K143-D146 PolarHBondContact O-N 3.48Å; K144-D146 PolarHBondContact O-N 3.39Å; D146-I148 VanDerWaalsContact C-N 3.32Å; D146-I148 PolarHBondContact O-N 2.85Å; D146-L149 PolarHBondContact O-N 3.17Å; D146-K150 WeakPolarHBondContact O-CB 3.48Å; D146-K150 WeakPolarHBondContact O-CG 3.4Å; D146-K150 PolarHBondContact O-N 2.9Å
147	I	69.5	Low	66.5	Low	108 Å²	108	80.1 Å²	80.1	55%	0.554	39%	0.391	S	S	*	.	H	α-helix	trans	-66	-37.7	179.1	-122.9	164.6	0	0	0	111.3	K144 F145 K150 W151	K144-I147 PolarHBondContact O-N 2.96Å; F145-I147 PolarHBondContact O-N 3.34Å; I147-K150 PolarHBondContact O-N 3.5Å; I147-W151 PolarHBondContact O-N 3.26Å; I147-W151 VanDerWaalsContact O-N 3.09Å
148	I	66.6	Low	66.3	Low	14 Å²	14	80.2 Å²	80.2	7%	0.072	38%	0.383	C	S	.	.	H	α-helix	trans	-72.2	-40.1	177.3	-60	169.4	0	0	0	109.1	L24 L132 F145 D146 K150 W151 C152	L24-I148 HydrophobicContact CD2-CD1 3.65Å; L132-I148 HydrophobicContact CD1-CB 4.16Å; L132-I148 HydrophobicContact CD1-CG2 3.56Å; F145-I148 HydrophobicContact CD1-CD1 3.74Å; F145-I148 HydrophobicContact CE1-CD1 4.11Å; F145-I148 PolarHBondContact O-N 2.79Å; F145-I148 VanDerWaalsContact O-N 3.12Å; D146-I148 VanDerWaalsContact C-N 3.32Å; D146-I148 PolarHBondContact O-N 2.85Å; I148-K150 PolarHBondContact O-N 3.21Å; I148-W151 WeakPolarHBondContact O-CB 3.21Å; I148-W151 PolarHBondContact O-N 3.43Å; I148-C152 PolarHBondContact O-N 3.04Å; I148-C152 PolarHBondContact O-SG 2.73Å; I148-C152 VanDerWaalsContact O-SG 3.34Å
149	L	76.9	Confident	66.1	Low	21 Å²	21	84.2 Å²	84.2	11%	0.11	39%	0.39	C	S	.	.	H	α-helix	trans	-61	-44.2	174.5	177.8	58.5	0	0	0	111.9	R129 L132 R133 L136 F145 D146 W151 C152 D153	R129-L149 HydrophobicContact CG-CD1 4.1Å; L132-L149 HydrophobicContact CB-CD1 4.32Å; R133-L149 HydrophobicContact CG-CD1 3.57Å; R133-L149 HydrophobicContact CG-CD2 3.69Å; R133-L149 HydrophobicContact CG-CG 4.27Å; L136-L149 HydrophobicContact CD1-CB 4.11Å; L136-L149 HydrophobicContact CD1-CD2 3.77Å; F145-L149 PolarHBondContact O-N 3.3Å; F145-L149 VanDerWaalsContact O-N 3.17Å; D146-L149 PolarHBondContact O-N 3.17Å; L149-W151 VanDerWaalsContact C-N 3.29Å; L149-W151 PolarHBondContact O-N 2.87Å; L149-C152 WeakPolarHBondContact O-CB 3.08Å; L149-C152 PolarHBondContact O-N 2.87Å; L149-C152 VanDerWaalsContact O-N 3.15Å; L149-D153 PolarHBondContact O-N 3.26Å
150	K	77.8	Confident	66.2	Low	145 Å²	145	77.7 Å²	77.7	63%	0.63	37%	0.365	S	S	*	.	H	α-helix	trans	-59.8	-39.1	174.8	-77	177.5	-179.8	-179.3	0	112.4	D146 I147 I148 D153 K154	D146-K150 WeakPolarHBondContact O-CB 3.48Å; D146-K150 WeakPolarHBondContact O-CG 3.4Å; D146-K150 PolarHBondContact O-N 2.9Å; I147-K150 PolarHBondContact O-N 3.5Å; I148-K150 PolarHBondContact O-N 3.21Å; K150-D153 PolarHBondContact O-N 2.72Å; K150-K154 PolarHBondContact O-N 3.21Å
151	W	79.5	Confident	66.6	Low	106 Å²	106	84 Å²	84	40%	0.402	39%	0.39	S	S	.	.	H	α-helix	trans	-64.2	-45.6	174.1	179.4	91.5	0	0	0	111.3	I25 W121 V125 I147 I148 L149 D153 K154 F155	I25-W151 HydrophobicContact CD1-CE3 4.24Å; I25-W151 HydrophobicContact CD1-CH2 4.17Å; I25-W151 HydrophobicContact CD1-CZ3 3.9Å; W121-W151 AromaticContact CH2-CH2 3.74Å; W121-W151 HydrophobicContact CH2-CH2 3.74Å; W121-W151 HydrophobicContact CH2-CZ2 4.23Å; W121-W151 HydrophobicContact CZ3-CH2 4.3Å; V125-W151 HydrophobicContact CG1-CZ3 3.93Å; V125-W151 HydrophobicContact CG2-CH2 4.3Å; V125-W151 HydrophobicContact CG2-CZ3 4.29Å; I147-W151 PolarHBondContact O-N 3.26Å; I147-W151 VanDerWaalsContact O-N 3.09Å; I148-W151 WeakPolarHBondContact O-CB 3.21Å; I148-W151 PolarHBondContact O-N 3.43Å; L149-W151 VanDerWaalsContact C-N 3.29Å; L149-W151 PolarHBondContact O-N 2.87Å; W151-D153 VanDerWaalsContact C-N 3.3Å; W151-D153 PolarHBondContact O-N 3.27Å; W151-K154 PolarHBondContact O-N 2.78Å; W151-F155 HydrophobicContact CH2-CD2 4.46Å; W151-F155 WeakPolarHBondContact O-CB 3.02Å; W151-F155 PolarHBondContact O-N 2.79Å
152	C	73.8	Confident	67.4	Low	1 Å²	1	85.9 Å²	85.9	1%	0.007	40%	0.397	C	S	.	.	H	α-helix	trans	-61.4	-38	175.8	-68.1	0	0	0	0	112.5	V125 R129 I148 L149 F155 W156	V125-C152 HydrophobicContact CG1-CB 4.36Å; R129-C152 HydrophobicContact CB-CB 3.8Å; R129-C152 HydrophobicContact CG-CB 3.98Å; I148-C152 PolarHBondContact O-N 3.04Å; I148-C152 PolarHBondContact O-SG 2.73Å; I148-C152 VanDerWaalsContact O-SG 3.34Å; L149-C152 WeakPolarHBondContact O-CB 3.08Å; L149-C152 PolarHBondContact O-N 2.87Å; L149-C152 VanDerWaalsContact O-N 3.15Å; C152-F155 PolarHBondContact O-N 2.87Å; C152-W156 WeakPolarHBondContact O-CB 3.41Å; C152-W156 PolarHBondContact O-N 2.9Å
153	D	78.1	Confident	68.2	Low	40 Å²	40	86.6 Å²	86.6	21%	0.214	39%	0.394	C	S	.	.	H	α-helix	trans	-64.2	-46	175.6	-75.8	-31.4	0	0	0	111.5	R129 R133 L149 K150 W151 F155 W156 D157	R129-D153 IonicContact CZ-OD1 3.02Å; R129-D153 IonicContact NE-OD1 2.62Å; R129-D153 PolarHBondContact NE-OD1 2.77Å; R129-D153 IonicContact NH2-OD1 3.97Å; R133-D153 IonicContact CZ-OD1 3.57Å; R133-D153 IonicContact NE-OD1 3.73Å; R133-D153 IonicContact NH2-OD1 3.84Å; R133-D153 PolarHBondContact NH2-OD1 3.24Å; R133-D153 IonicContact NH2-OD2 2.71Å; L149-D153 PolarHBondContact O-N 3.26Å; K150-D153 PolarHBondContact O-N 2.72Å; W151-D153 VanDerWaalsContact C-N 3.3Å; W151-D153 PolarHBondContact O-N 3.27Å; D153-F155 VanDerWaalsContact C-N 3.32Å; D153-F155 PolarHBondContact O-N 3.21Å; D153-W156 WeakPolarHBondContact O-CB 3.39Å; D153-W156 PolarHBondContact O-N 2.8Å; D153-D157 PolarHBondContact O-N 2.78Å
154	K	72.1	Confident	68.6	Low	142 Å²	142	81.4 Å²	81.4	62%	0.617	37%	0.372	S	S	*	.	H	α-helix	trans	-63.5	-38.7	175.7	-170.6	175.8	-178.3	-178.9	0	112	K150 W151 D157 I158	K150-K154 PolarHBondContact O-N 3.21Å; W151-K154 PolarHBondContact O-N 2.78Å; K154-D157 PolarHBondContact O-N 2.79Å; K154-I158 HydrophobicContact CG-CD1 4.06Å; K154-I158 WeakPolarHBondContact O-CD1 3.49Å; K154-I158 VanDerWaalsContact O-CG1 3.29Å; K154-I158 WeakPolarHBondContact O-CG1 3.44Å; K154-I158 PolarHBondContact O-N 2.8Å
155	F	69.7	Low	69.2	Low	16 Å²	16	79.1 Å²	79.1	7%	0.07	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-45.1	174.8	-176.4	-90.3	0	0	0	111.6	W121 V122 V125 W151 C152 D153 D157 I158 Y159	W121-F155 HydrophobicContact CE3-CE1 4.35Å; W121-F155 HydrophobicContact CE3-CE2 4.03Å; W121-F155 AromaticContact CE3-CZ 3.67Å; W121-F155 HydrophobicContact CE3-CZ 3.67Å; W121-F155 HydrophobicContact CH2-CE2 4.32Å; W121-F155 AromaticContact CZ3-CD2 3.98Å; W121-F155 HydrophobicContact CZ3-CD2 3.98Å; W121-F155 HydrophobicContact CZ3-CE1 4.17Å; W121-F155 AromaticContact CZ3-CE2 3.33Å; W121-F155 HydrophobicContact CZ3-CE2 3.33Å; W121-F155 AromaticContact CZ3-CZ 3.43Å; W121-F155 HydrophobicContact CZ3-CZ 3.43Å; W121-F155 VanDerWaalsContact CZ3-CZ 3.43Å; V122-F155 HydrophobicContact CG2-CE1 4.26Å; V122-F155 HydrophobicContact CG2-CZ 4.18Å; V125-F155 HydrophobicContact CB-CD1 3.8Å; V125-F155 HydrophobicContact CB-CE1 3.95Å; V125-F155 HydrophobicContact CG1-CB 4.12Å; V125-F155 HydrophobicContact CG1-CD1 3.41Å; V125-F155 VanDerWaalsContact CG1-CD1 3.41Å; V125-F155 HydrophobicContact CG1-CE1 4.09Å; V125-F155 HydrophobicContact CG1-CG 3.89Å; V125-F155 HydrophobicContact CG2-CD1 4.2Å; V125-F155 HydrophobicContact CG2-CE1 4.13Å; W151-F155 HydrophobicContact CH2-CD2 4.46Å; W151-F155 WeakPolarHBondContact O-CB 3.02Å; W151-F155 PolarHBondContact O-N 2.79Å; C152-F155 PolarHBondContact O-N 2.87Å; D153-F155 VanDerWaalsContact C-N 3.32Å; D153-F155 PolarHBondContact O-N 3.21Å; F155-D157 VanDerWaalsContact C-N 3.34Å; F155-D157 PolarHBondContact O-N 3.02Å; F155-I158 PolarHBondContact O-N 3.37Å; F155-Y159 HydrophobicContact CD1-CD2 4.34Å; F155-Y159 AromaticContact CD2-CD2 3.36Å; F155-Y159 HydrophobicContact CD2-CD2 3.36Å; F155-Y159 AromaticContact CD2-CE2 3.61Å; F155-Y159 HydrophobicContact CD2-CE2 3.61Å; F155-Y159 HydrophobicContact CD2-CG 4.39Å; F155-Y159 HydrophobicContact CE1-CD2 4.18Å; F155-Y159 HydrophobicContact CE1-CG 4.41Å; F155-Y159 AromaticContact CE2-CD2 3.07Å; F155-Y159 HydrophobicContact CE2-CD2 3.07Å; F155-Y159 AromaticContact CE2-CE2 3.38Å; F155-Y159 HydrophobicContact CE2-CE2 3.38Å; F155-Y159 AromaticContact CE2-CG 3.78Å; F155-Y159 HydrophobicContact CE2-CG 3.78Å; F155-Y159 AromaticContact CG-CD2 3.98Å; F155-Y159 HydrophobicContact CG-CD2 3.98Å; F155-Y159 AromaticContact CZ-CD2 3.56Å; F155-Y159 HydrophobicContact CZ-CD2 3.56Å; F155-Y159 HydrophobicContact CZ-CE2 4.26Å; F155-Y159 AromaticContact CZ-CG 3.8Å; F155-Y159 HydrophobicContact CZ-CG 3.8Å; F155-Y159 WeakPolarHBondContact O-CD2 3.42Å; F155-Y159 PolarHBondContact O-N 3.35Å
156	W	72.3	Confident	69.8	Low	68 Å²	68	81.1 Å²	81.1	26%	0.258	37%	0.373	S	S	.	.	H	α-helix	trans	-56.8	-46.2	176.2	175.8	-81.6	0	0	0	112.1	V126 C152 D153 I158 V160 K161	V126-W156 HydrophobicContact CB-CE3 4.35Å; V126-W156 HydrophobicContact CB-CZ3 3.99Å; V126-W156 HydrophobicContact CG1-CE3 4.18Å; V126-W156 HydrophobicContact CG1-CH2 4.44Å; V126-W156 HydrophobicContact CG1-CZ3 3.5Å; V126-W156 VanDerWaalsContact CG1-CZ3 3.5Å; V126-W156 HydrophobicContact CG2-CE3 3.63Å; V126-W156 HydrophobicContact CG2-CZ3 3.35Å; C152-W156 WeakPolarHBondContact O-CB 3.41Å; C152-W156 PolarHBondContact O-N 2.9Å; D153-W156 WeakPolarHBondContact O-CB 3.39Å; D153-W156 PolarHBondContact O-N 2.8Å; W156-I158 VanDerWaalsContact C-N 3.26Å; W156-I158 PolarHBondContact O-N 3.04Å; W156-V160 HydrophobicContact CD2-CB 3.88Å; W156-V160 HydrophobicContact CD2-CG1 4.08Å; W156-V160 HydrophobicContact CD2-CG2 4.32Å; W156-V160 HydrophobicContact CE3-CB 3.87Å; W156-V160 HydrophobicContact CE3-CG1 3.8Å; W156-V160 HydrophobicContact CE3-CG2 3.96Å; W156-V160 HydrophobicContact CG-CB 4.39Å; W156-V160 HydrophobicContact CH2-CB 4.38Å; W156-V160 HydrophobicContact CH2-CG1 3.5Å; W156-V160 VanDerWaalsContact CH2-CG1 3.5Å; W156-V160 HydrophobicContact CZ2-CB 4.39Å; W156-V160 HydrophobicContact CZ2-CG1 3.79Å; W156-V160 HydrophobicContact CZ3-CB 4.13Å; W156-V160 HydrophobicContact CZ3-CG1 3.5Å; W156-V160 HydrophobicContact CZ3-CG2 4.36Å; W156-V160 WeakPolarHBondContact O-CB 3.49Å; W156-V160 PolarHBondContact O-N 3.16Å; W156-K161 PolarHBondContact O-N 3.19Å; W156-K161 VanDerWaalsContact O-N 3.14Å
157	D	68.6	Low	69.9	Low	85 Å²	85	81.9 Å²	81.9	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-64.4	-27.4	179.9	-76.6	-35.7	0	0	0	113.4	D153 K154 F155 K161	D153-D157 PolarHBondContact O-N 2.78Å; K154-D157 PolarHBondContact O-N 2.79Å; F155-D157 VanDerWaalsContact C-N 3.34Å; F155-D157 PolarHBondContact O-N 3.02Å; D157-K161 VanDerWaalsContact OD1-CD 3.27Å; D157-K161 WeakPolarHBondContact OD1-CD 3.35Å; D157-K161 IonicContact OD1-NZ 2.97Å; D157-K161 PolarHBondContact OD1-NZ 3.18Å
158	I	65.8	Low	69.9	Low	102 Å²	102	80.1 Å²	80.1	52%	0.523	36%	0.36	S	S	.	.	H	α-helix	trans	-87.9	-38.5	-177.9	-64.3	166	0	0	0	112.1	K154 F155 W156	K154-I158 HydrophobicContact CG-CD1 4.06Å; K154-I158 WeakPolarHBondContact O-CD1 3.49Å; K154-I158 VanDerWaalsContact O-CG1 3.29Å; K154-I158 WeakPolarHBondContact O-CG1 3.44Å; K154-I158 PolarHBondContact O-N 2.8Å; F155-I158 PolarHBondContact O-N 3.37Å; W156-I158 VanDerWaalsContact C-N 3.26Å; W156-I158 PolarHBondContact O-N 3.04Å
159	Y	61.1	Low	70.2	Confident	129 Å²	129	85.2 Å²	85.2	51%	0.506	38%	0.383	S	S	.	.	H	α-helix	trans	-118.4	-9.9	-164.3	-64.4	-77.8	0	0	0	115.3	F118 F155	F118-Y159 HydrophobicContact CE1-CD1 4.3Å; F118-Y159 AromaticContact CZ-CD1 3.77Å; F118-Y159 HydrophobicContact CZ-CD1 3.77Å; F118-Y159 HydrophobicContact CZ-CE1 4.11Å; F118-Y159 HydrophobicContact CZ-CG 4.37Å; F155-Y159 HydrophobicContact CD1-CD2 4.34Å; F155-Y159 AromaticContact CD2-CD2 3.36Å; F155-Y159 HydrophobicContact CD2-CD2 3.36Å; F155-Y159 AromaticContact CD2-CE2 3.61Å; F155-Y159 HydrophobicContact CD2-CE2 3.61Å; F155-Y159 HydrophobicContact CD2-CG 4.39Å; F155-Y159 HydrophobicContact CE1-CD2 4.18Å; F155-Y159 HydrophobicContact CE1-CG 4.41Å; F155-Y159 AromaticContact CE2-CD2 3.07Å; F155-Y159 HydrophobicContact CE2-CD2 3.07Å; F155-Y159 AromaticContact CE2-CE2 3.38Å; F155-Y159 HydrophobicContact CE2-CE2 3.38Å; F155-Y159 AromaticContact CE2-CG 3.78Å; F155-Y159 HydrophobicContact CE2-CG 3.78Å; F155-Y159 AromaticContact CG-CD2 3.98Å; F155-Y159 HydrophobicContact CG-CD2 3.98Å; F155-Y159 AromaticContact CZ-CD2 3.56Å; F155-Y159 HydrophobicContact CZ-CD2 3.56Å; F155-Y159 HydrophobicContact CZ-CE2 4.26Å; F155-Y159 AromaticContact CZ-CG 3.8Å; F155-Y159 HydrophobicContact CZ-CG 3.8Å; F155-Y159 WeakPolarHBondContact O-CD2 3.42Å; F155-Y159 PolarHBondContact O-N 3.35Å
160	V	63.7	Low	69.6	Low	51 Å²	51	90.5 Å²	90.5	31%	0.309	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-36.2	-175.1	-169.2	0	0	0	0	113	V122 V126 W156	V122-V160 HydrophobicContact CG1-CG2 3.47Å; V122-V160 VanDerWaalsContact CG1-CG2 3.47Å; V126-V160 HydrophobicContact CG2-CG2 4.35Å; W156-V160 HydrophobicContact CD2-CB 3.88Å; W156-V160 HydrophobicContact CD2-CG1 4.08Å; W156-V160 HydrophobicContact CD2-CG2 4.32Å; W156-V160 HydrophobicContact CE3-CB 3.87Å; W156-V160 HydrophobicContact CE3-CG1 3.8Å; W156-V160 HydrophobicContact CE3-CG2 3.96Å; W156-V160 HydrophobicContact CG-CB 4.39Å; W156-V160 HydrophobicContact CH2-CB 4.38Å; W156-V160 HydrophobicContact CH2-CG1 3.5Å; W156-V160 VanDerWaalsContact CH2-CG1 3.5Å; W156-V160 HydrophobicContact CZ2-CB 4.39Å; W156-V160 HydrophobicContact CZ2-CG1 3.79Å; W156-V160 HydrophobicContact CZ3-CB 4.13Å; W156-V160 HydrophobicContact CZ3-CG1 3.5Å; W156-V160 HydrophobicContact CZ3-CG2 4.36Å; W156-V160 WeakPolarHBondContact O-CB 3.49Å; W156-V160 PolarHBondContact O-N 3.16Å
161	K	52.9	Low	68.9	Low	201 Å²	201	85.5 Å²	85.5	87%	0.874	39%	0.385	S	S	*	.			trans	-72.5	0	-174.9	-161.2	179.4	-170.8	175	0	113.1	W156 D157	W156-K161 PolarHBondContact O-N 3.19Å; W156-K161 VanDerWaalsContact O-N 3.14Å; D157-K161 VanDerWaalsContact OD1-CD 3.27Å; D157-K161 WeakPolarHBondContact OD1-CD 3.35Å; D157-K161 IonicContact OD1-NZ 2.97Å; D157-K161 PolarHBondContact OD1-NZ 3.18Å

Retrieved 161 of 161 residues in 50.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).