A0AA82N4D7_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N4D7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	35.7	Very low	40.3	Very low	200 Å²	200	89.7 Å²	89.7	99%	0.985	46%	0.456	S	S	*	.				0	-46.6	0	-78.8	-170.1	-97.3	0	0	113.5	A3 I4	M1-A3 PolarHBondContact O-N 3.19Å; M1-I4 PolarHBondContact O-N 3.18Å
2	R	29.1	Very low	41.2	Very low	232 Å²	232	87.8 Å²	87.8	88%	0.875	45%	0.446	S	S	*	.	H	α-helix	trans	-62.1	-37.3	-178.5	-72.4	-177	170.8	-165.1	-3.5	115.6	I4 S6	R2-I4 PolarHBondContact O-N 3.06Å; R2-S6 PolarHBondContact O-N 2.91Å
3	A	30.7	Very low	42	Very low	52 Å²	52	82 Å²	82	43%	0.43	42%	0.417	S	S	.	.	H	α-helix	trans	-65.2	-38	179.4	0	0	0	0	0	113.1	M1 I5 S6 H7	M1-A3 PolarHBondContact O-N 3.19Å; A3-I5 PolarHBondContact O-N 3.06Å; A3-S6 PolarHBondContact O-N 3.34Å; A3-H7 PolarHBondContact O-CD2 3.22Å; A3-H7 VanDerWaalsContact O-CD2 3.29Å; A3-H7 PolarHBondContact O-N 3.23Å
4	I	32.3	Very low	42.9	Very low	85 Å²	85	76.4 Å²	76.4	44%	0.436	39%	0.389	S	S	.	.	H	α-helix	trans	-65.3	-41.4	-177.7	-59.1	172.2	0	0	0	110.9	M1 R2 H7 L8 L49	M1-I4 PolarHBondContact O-N 3.18Å; R2-I4 PolarHBondContact O-N 3.06Å; I4-H7 PolarHBondContact O-N 2.87Å; I4-L8 PolarHBondContact O-N 2.77Å; I4-L8 VanDerWaalsContact O-N 3.11Å; I4-L49 HydrophobicContact CG2-CD2 4.16Å
5	I	35	Very low	43.6	Very low	107 Å²	107	74.6 Å²	74.6	55%	0.549	38%	0.383	S	S	.	.	H	α-helix	trans	-67	-40.6	178.9	-61.9	172.1	0	0	0	110.6	A3 H7 L9	A3-I5 PolarHBondContact O-N 3.06Å; I5-H7 VanDerWaalsContact C-N 3.3Å; I5-H7 PolarHBondContact O-N 2.6Å; I5-L9 HydrophobicContact CG2-CD1 3.87Å; I5-L9 HydrophobicContact CG2-CG 4.44Å; I5-L9 WeakPolarHBondContact O-CB 3.34Å; I5-L9 WeakPolarHBondContact O-CD1 3.3Å; I5-L9 VanDerWaalsContact O-CG 3.23Å; I5-L9 WeakPolarHBondContact O-CG 3.16Å; I5-L9 PolarHBondContact O-N 3.49Å; I5-L9 VanDerWaalsContact O-N 3.11Å
6	S	41.6	Very low	44	Very low	62 Å²	62	72.6 Å²	72.6	43%	0.434	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-34.2	179.2	-167.9	0	0	0	0	112.9	R2 A3 L10	R2-S6 PolarHBondContact O-N 2.91Å; A3-S6 PolarHBondContact O-N 3.34Å; S6-L10 WeakPolarHBondContact O-CB 3.23Å; S6-L10 PolarHBondContact O-N 3.17Å
7	H	45.1	Very low	44.5	Very low	29 Å²	29	69.1 Å²	69.1	13%	0.134	36%	0.362	C	S	.	.	H	α-helix	trans	-82.2	-35.9	-178.2	-63.3	-25	0	0	0	113	A3 I4 I5 L10 T11 A156	A3-H7 PolarHBondContact O-CD2 3.22Å; A3-H7 VanDerWaalsContact O-CD2 3.29Å; A3-H7 PolarHBondContact O-N 3.23Å; I4-H7 PolarHBondContact O-N 2.87Å; I5-H7 VanDerWaalsContact C-N 3.3Å; I5-H7 PolarHBondContact O-N 2.6Å; H7-L10 PolarHBondContact O-N 3.39Å; H7-T11 PolarHBondContact O-N 3.2Å; H7-T11 PolarHBondContact O-OG1 2.84Å; H7-A156 WeakPolarHBondContact NE2-CB 3.31Å
8	L	44.2	Very low	44.9	Very low	65 Å²	65	66.8 Å²	66.8	34%	0.34	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-43.6	173.3	-155.9	78	0	0	0	110.8	I4 L10 T11 I12 F58	I4-L8 PolarHBondContact O-N 2.77Å; I4-L8 VanDerWaalsContact O-N 3.11Å; L8-L10 PolarHBondContact O-N 3.23Å; L8-T11 PolarHBondContact O-N 3.41Å; L8-I12 HydrophobicContact CG-CD1 4.29Å; L8-I12 VanDerWaalsContact O-CG1 3.31Å; L8-I12 WeakPolarHBondContact O-CG1 3.47Å; L8-I12 PolarHBondContact O-N 3.16Å; L8-F58 HydrophobicContact CD2-CB 4.12Å; L8-F58 HydrophobicContact CD2-CD1 4.32Å; L8-F58 HydrophobicContact CD2-CG 4.2Å
9	L	46.9	Very low	45.4	Very low	102 Å²	102	68.4 Å²	68.4	53%	0.534	36%	0.363	S	S	.	.	H	α-helix	trans	-62.3	-39.9	175.1	-72.9	170.2	0	0	0	112.7	I5 T11 L13	I5-L9 HydrophobicContact CG2-CD1 3.87Å; I5-L9 HydrophobicContact CG2-CG 4.44Å; I5-L9 WeakPolarHBondContact O-CB 3.34Å; I5-L9 WeakPolarHBondContact O-CD1 3.3Å; I5-L9 VanDerWaalsContact O-CG 3.23Å; I5-L9 WeakPolarHBondContact O-CG 3.16Å; I5-L9 PolarHBondContact O-N 3.49Å; I5-L9 VanDerWaalsContact O-N 3.11Å; L9-T11 VanDerWaalsContact C-N 3.34Å; L9-L13 WeakPolarHBondContact O-CB 3.3Å; L9-L13 PolarHBondContact O-N 2.74Å
10	L	52.3	Low	45.7	Very low	31 Å²	31	66.9 Å²	66.9	16%	0.162	36%	0.355	C	S	.	.	H	α-helix	trans	-65.4	-39.4	175.6	-175.1	63	0	0	0	111.4	S6 H7 L8 L13 V14	S6-L10 WeakPolarHBondContact O-CB 3.23Å; S6-L10 PolarHBondContact O-N 3.17Å; H7-L10 PolarHBondContact O-N 3.39Å; L8-L10 PolarHBondContact O-N 3.23Å; L10-L13 PolarHBondContact O-N 3.45Å; L10-V14 HydrophobicContact CD1-CG2 4.42Å; L10-V14 VanDerWaalsContact O-CG2 3.24Å; L10-V14 WeakPolarHBondContact O-CG2 3.12Å; L10-V14 PolarHBondContact O-N 3.42Å
11	T	50.7	Low	45.8	Very low	22 Å²	22	67.5 Å²	67.5	14%	0.135	37%	0.365	C	S	.	.	H	α-helix	trans	-66.6	-49.6	178.9	-53.2	0	0	0	0	110.8	H7 L8 L9 L13 V14 T15 I42	H7-T11 PolarHBondContact O-N 3.2Å; H7-T11 PolarHBondContact O-OG1 2.84Å; L8-T11 PolarHBondContact O-N 3.41Å; L9-T11 VanDerWaalsContact C-N 3.34Å; T11-L13 VanDerWaalsContact C-N 3.28Å; T11-L13 PolarHBondContact O-N 3.3Å; T11-V14 PolarHBondContact O-N 3.29Å; T11-T15 PolarHBondContact O-N 3.49Å; T11-T15 PolarHBondContact O-OG1 3.4Å; T11-I42 HydrophobicContact CG2-CD1 4.25Å; T11-I42 HydrophobicContact CG2-CG1 3.6Å
12	I	51.1	Low	46.2	Very low	66 Å²	66	63 Å²	63	34%	0.338	35%	0.345	S	S	.	.	H	α-helix	trans	-57.6	-42.6	175.8	-66.9	165	0	0	0	110.8	L8 T15 A16	L8-I12 HydrophobicContact CG-CD1 4.29Å; L8-I12 VanDerWaalsContact O-CG1 3.31Å; L8-I12 WeakPolarHBondContact O-CG1 3.47Å; L8-I12 PolarHBondContact O-N 3.16Å; I12-T15 PolarHBondContact O-N 3.46Å; I12-A16 VanDerWaalsContact O-CB 3.3Å; I12-A16 WeakPolarHBondContact O-CB 3.43Å; I12-A16 PolarHBondContact O-N 2.86Å
13	L	51	Low	46.8	Very low	13 Å²	13	52.5 Å²	52.5	7%	0.068	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-49.6	177.1	-176.4	77.9	0	0	0	111.5	L9 L10 T11 T15 A16 I17 M68 M72 L76	L9-L13 WeakPolarHBondContact O-CB 3.3Å; L9-L13 PolarHBondContact O-N 2.74Å; L10-L13 PolarHBondContact O-N 3.45Å; T11-L13 VanDerWaalsContact C-N 3.28Å; T11-L13 PolarHBondContact O-N 3.3Å; L13-T15 VanDerWaalsContact C-N 3.34Å; L13-T15 PolarHBondContact O-N 3.19Å; L13-A16 PolarHBondContact O-N 3.29Å; L13-I17 HydrophobicContact CD2-CD1 4.47Å; L13-I17 HydrophobicContact CG-CD1 4Å; L13-I17 WeakPolarHBondContact O-CG1 3.37Å; L13-I17 PolarHBondContact O-N 2.85Å; L13-M68 HydrophobicContact CD1-CE 3.89Å; L13-M72 HydrophobicContact CD1-CE 4.42Å; L13-M72 HydrophobicContact CD1-CG 3.65Å; L13-M72 HydrophobicContact CD1-SD 4.35Å; L13-M72 HydrophobicContact CD2-CE 3.61Å; L13-M72 HydrophobicContact CD2-CG 3.85Å; L13-M72 HydrophobicContact CD2-SD 3.4Å; L13-M72 WeakPolarHBondContact CD2-SD 3.4Å; L13-M72 HydrophobicContact CG-CG 4.4Å; L13-L76 HydrophobicContact CD1-CD1 4.26Å
14	V	54.3	Low	47.2	Very low	3 Å²	3	51.2 Å²	51.2	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-42.9	-178.9	177.6	0	0	0	0	110.6	L10 T11 A16 I17 I18 L34 L37 E38	L10-V14 HydrophobicContact CD1-CG2 4.42Å; L10-V14 VanDerWaalsContact O-CG2 3.24Å; L10-V14 WeakPolarHBondContact O-CG2 3.12Å; L10-V14 PolarHBondContact O-N 3.42Å; T11-V14 PolarHBondContact O-N 3.29Å; V14-A16 PolarHBondContact O-N 2.9Å; V14-I17 PolarHBondContact O-N 3.28Å; V14-I18 HydrophobicContact CG1-CD1 3.83Å; V14-I18 HydrophobicContact CG1-CG1 4.5Å; V14-I18 WeakPolarHBondContact O-CD1 3.27Å; V14-I18 VanDerWaalsContact O-CG1 3.28Å; V14-I18 WeakPolarHBondContact O-CG1 3.41Å; V14-I18 PolarHBondContact O-N 3.16Å; V14-L34 VanDerWaalsContact CG1-O 3.28Å; V14-L34 WeakPolarHBondContact CG1-O 3.35Å; V14-L37 HydrophobicContact CG1-CB 4.41Å; V14-L37 HydrophobicContact CG2-CD2 3.81Å; V14-L37 HydrophobicContact CG2-CG 4.17Å; V14-E38 HydrophobicContact CB-CB 4.47Å; V14-E38 HydrophobicContact CG1-CB 3.56Å; V14-E38 HydrophobicContact CG1-CG 4.12Å
15	T	53.8	Low	47.4	Very low	50 Å²	50	53.5 Å²	53.5	31%	0.307	31%	0.308	S	S	.	.	H	α-helix	trans	-60.3	-43.3	174.7	-51.9	0	0	0	0	111.5	T11 I12 L13 I17 I18 T19 E38	T11-T15 PolarHBondContact O-N 3.49Å; T11-T15 PolarHBondContact O-OG1 3.4Å; I12-T15 PolarHBondContact O-N 3.46Å; L13-T15 VanDerWaalsContact C-N 3.34Å; L13-T15 PolarHBondContact O-N 3.19Å; T15-I17 VanDerWaalsContact C-N 3.29Å; T15-I17 PolarHBondContact O-N 2.88Å; T15-I18 PolarHBondContact O-N 3.44Å; T15-I18 VanDerWaalsContact O-N 3.16Å; T15-T19 HydrophobicContact CG2-CG2 4.42Å; T15-T19 WeakPolarHBondContact O-CG2 3.45Å; T15-T19 PolarHBondContact O-N 3.3Å; T15-T19 PolarHBondContact O-OG1 2.91Å; T15-E38 WeakPolarHBondContact CB-OE1 3.25Å; T15-E38 PolarHBondContact OG1-OE1 3.36Å
16	A	50.6	Low	47.7	Very low	42 Å²	42	51.1 Å²	51.1	35%	0.347	30%	0.296	S	S	.	.	H	α-helix	trans	-63.7	-31	177.6	0	0	0	0	0	113.4	I12 L13 V14 T19 D20	I12-A16 VanDerWaalsContact O-CB 3.3Å; I12-A16 WeakPolarHBondContact O-CB 3.43Å; I12-A16 PolarHBondContact O-N 2.86Å; L13-A16 PolarHBondContact O-N 3.29Å; V14-A16 PolarHBondContact O-N 2.9Å; A16-T19 WeakPolarHBondContact CA-OG1 3.35Å; A16-T19 PolarHBondContact O-OG1 3.46Å; A16-D20 PolarHBondContact O-N 3.49Å
17	I	51.8	Low	47.7	Very low	13 Å²	13	49.3 Å²	49.3	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-75.4	-35.1	175.6	-58.3	164.5	0	0	0	110.7	L13 V14 T15 D20 V23 L34 L76	L13-I17 HydrophobicContact CD2-CD1 4.47Å; L13-I17 HydrophobicContact CG-CD1 4Å; L13-I17 WeakPolarHBondContact O-CG1 3.37Å; L13-I17 PolarHBondContact O-N 2.85Å; V14-I17 PolarHBondContact O-N 3.28Å; T15-I17 VanDerWaalsContact C-N 3.29Å; T15-I17 PolarHBondContact O-N 2.88Å; I17-D20 PolarHBondContact O-N 2.78Å; I17-V23 HydrophobicContact CG2-CG1 4.31Å; I17-L34 HydrophobicContact CB-CD1 4.23Å; I17-L34 HydrophobicContact CB-CD2 4.3Å; I17-L34 HydrophobicContact CD1-CD2 4.39Å; I17-L34 HydrophobicContact CG2-CD1 3.36Å; I17-L34 HydrophobicContact CG2-CD2 3.9Å; I17-L34 HydrophobicContact CG2-CG 4.27Å; I17-L76 HydrophobicContact CD1-CD2 3.69Å; I17-L76 HydrophobicContact CG1-CD1 4.5Å; I17-L76 HydrophobicContact CG1-CD2 3.56Å; I17-L76 HydrophobicContact CG2-CD2 4.37Å
18	I	52.8	Low	47.4	Very low	28 Å²	28	52.2 Å²	52.2	14%	0.144	31%	0.305	C	S	.	.	H	α-helix	trans	-71.9	-36.8	178.7	-66.3	164.3	0	0	0	111.6	V14 T15 D20 L34 E35 E38	V14-I18 HydrophobicContact CG1-CD1 3.83Å; V14-I18 HydrophobicContact CG1-CG1 4.5Å; V14-I18 WeakPolarHBondContact O-CD1 3.27Å; V14-I18 VanDerWaalsContact O-CG1 3.28Å; V14-I18 WeakPolarHBondContact O-CG1 3.41Å; V14-I18 PolarHBondContact O-N 3.16Å; T15-I18 PolarHBondContact O-N 3.44Å; T15-I18 VanDerWaalsContact O-N 3.16Å; I18-D20 PolarHBondContact O-N 3.26Å; I18-L34 HydrophobicContact CD1-CB 4.03Å; I18-L34 HydrophobicContact CG1-CB 3.54Å; I18-E35 HydrophobicContact CD1-CG 4.2Å; I18-E35 HydrophobicContact CG2-CG 4.29Å; I18-E38 HydrophobicContact CD1-CB 3.79Å; I18-E38 HydrophobicContact CD1-CG 4.15Å; I18-E38 WeakPolarHBondContact CD1-OE2 3.34Å
19	T	53.5	Low	47.3	Very low	97 Å²	97	53.6 Å²	53.6	60%	0.595	32%	0.32	S	S	*	.	H	α-helix	trans	-74.3	-16.3	178.3	55.6	0	0	0	0	113	T15 A16 S21	T15-T19 HydrophobicContact CG2-CG2 4.42Å; T15-T19 WeakPolarHBondContact O-CG2 3.45Å; T15-T19 PolarHBondContact O-N 3.3Å; T15-T19 PolarHBondContact O-OG1 2.91Å; A16-T19 WeakPolarHBondContact CA-OG1 3.35Å; A16-T19 PolarHBondContact O-OG1 3.46Å; T19-S21 PolarHBondContact O-N 3.21Å
20	D	52.5	Low	47.3	Very low	39 Å²	39	50.1 Å²	50.1	21%	0.209	30%	0.302	C	S	.	.			trans	-67.2	99.4	170.5	-163.2	-41.9	0	0	0	109.9	A16 I17 I18 D22 V23 A24 K80	A16-D20 PolarHBondContact O-N 3.49Å; I17-D20 PolarHBondContact O-N 2.78Å; I18-D20 PolarHBondContact O-N 3.26Å; D20-D22 PolarHBondContact O-N 3.33Å; D20-D22 VanDerWaalsContact O-N 3.1Å; D20-D22 WeakPolarHBondContact OD1-CB 3.11Å; D20-D22 PolarHBondContact OD1-N 2.87Å; D20-V23 HydrophobicContact CB-CB 4.41Å; D20-V23 HydrophobicContact CB-CG2 3.95Å; D20-V23 PolarHBondContact O-N 2.72Å; D20-A24 PolarHBondContact O-N 2.98Å; D20-K80 WeakPolarHBondContact OD2-CE 3.48Å; D20-K80 IonicContact OD2-NZ 3.06Å; D20-K80 PolarHBondContact OD2-NZ 3.22Å
21	S	47.2	Very low	47.1	Very low	80 Å²	80	52.5 Å²	52.5	56%	0.559	31%	0.311	S	S	*	.	H	α-helix	trans	-55.9	-29.8	-175.5	-56.7	0	0	0	0	112.2	T19 L25	T19-S21 PolarHBondContact O-N 3.21Å; S21-L25 WeakPolarHBondContact O-CD1 3.48Å; S21-L25 PolarHBondContact O-N 3.46Å
22	D	43.7	Very low	47.1	Very low	105 Å²	105	55.7 Å²	55.7	56%	0.561	33%	0.327	S	S	*	.	H	α-helix	trans	-73.6	-33.8	-178.3	-63.5	-28.5	0	0	0	111.4	D20 L26	D20-D22 PolarHBondContact O-N 3.33Å; D20-D22 VanDerWaalsContact O-N 3.1Å; D20-D22 WeakPolarHBondContact OD1-CB 3.11Å; D20-D22 PolarHBondContact OD1-N 2.87Å; D22-L26 WeakPolarHBondContact O-CB 3.48Å; D22-L26 WeakPolarHBondContact O-CD1 3.43Å; D22-L26 VanDerWaalsContact O-CG 3.32Å; D22-L26 WeakPolarHBondContact O-CG 3.43Å; D22-L26 PolarHBondContact O-N 2.75Å; D22-L26 VanDerWaalsContact O-N 3.17Å
23	V	42.7	Very low	46.9	Very low	11 Å²	11	56 Å²	56	7%	0.067	33%	0.326	C	S	.	.	H	α-helix	trans	-70.5	-41.3	176.4	-178.8	0	0	0	0	110.6	I17 D20 L25 L26 C27 M30 L34 F79	I17-V23 HydrophobicContact CG2-CG1 4.31Å; D20-V23 HydrophobicContact CB-CB 4.41Å; D20-V23 HydrophobicContact CB-CG2 3.95Å; D20-V23 PolarHBondContact O-N 2.72Å; V23-L25 VanDerWaalsContact C-N 3.3Å; V23-L25 PolarHBondContact O-N 3.46Å; V23-L26 PolarHBondContact O-N 3.12Å; V23-C27 PolarHBondContact O-N 3.35Å; V23-M30 HydrophobicContact CG1-CE 4.28Å; V23-L34 HydrophobicContact CG1-CD1 4.09Å; V23-F79 HydrophobicContact CG1-CE1 4.3Å
24	A	38.4	Very low	46.9	Very low	26 Å²	26	55.8 Å²	55.8	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-30.6	178.3	0	0	0	0	0	113.5	D20 K31	D20-A24 PolarHBondContact O-N 2.98Å; A24-K31 HydrophobicContact CB-CD 4.04Å; A24-K31 HydrophobicContact CB-CG 4.45Å
25	L	36.6	Very low	46.8	Very low	132 Å²	132	58.2 Å²	58.2	69%	0.691	34%	0.336	S	S	*	.	H	α-helix	trans	-82.4	-34.6	178.5	-87.2	155.8	0	0	0	113.3	S21 V23	S21-L25 WeakPolarHBondContact O-CD1 3.48Å; S21-L25 PolarHBondContact O-N 3.46Å; V23-L25 VanDerWaalsContact C-N 3.3Å; V23-L25 PolarHBondContact O-N 3.46Å
26	L	41.1	Very low	46.7	Very low	57 Å²	57	61.5 Å²	61.5	30%	0.298	35%	0.348	S	S	.	.	H	α-helix	trans	-80	-29.2	-175.6	-75.9	164.7	0	0	0	113.3	D22 V23 Y87	D22-L26 WeakPolarHBondContact O-CB 3.48Å; D22-L26 WeakPolarHBondContact O-CD1 3.43Å; D22-L26 VanDerWaalsContact O-CG 3.32Å; D22-L26 WeakPolarHBondContact O-CG 3.43Å; D22-L26 PolarHBondContact O-N 2.75Å; D22-L26 VanDerWaalsContact O-N 3.17Å; V23-L26 PolarHBondContact O-N 3.12Å; L26-Y87 HydrophobicContact CD2-CD1 3.97Å; L26-Y87 HydrophobicContact CD2-CD2 4.37Å; L26-Y87 HydrophobicContact CD2-CG 3.88Å
27	C	40.7	Very low	46.6	Very low	25 Å²	25	60.8 Å²	60.8	17%	0.169	34%	0.338	C	S	.	.			trans	-146.4	86.6	-177.1	-73.7	0	0	0	0	111.7	V23 S29 M30 K31	V23-C27 PolarHBondContact O-N 3.35Å; C27-S29 VanDerWaalsContact C-N 3.28Å; C27-S29 PolarHBondContact O-N 2.68Å; C27-M30 HydrophobicContact CB-CB 3.47Å; C27-M30 VanDerWaalsContact CB-CB 3.47Å; C27-M30 HydrophobicContact CB-CE 3.44Å; C27-M30 VanDerWaalsContact CB-CE 3.44Å; C27-M30 HydrophobicContact CB-CG 4.45Å; C27-M30 HydrophobicContact CB-SD 4.23Å; C27-M30 WeakPolarHBondContact O-CA 3.26Å; C27-M30 VanDerWaalsContact O-CB 3.25Å; C27-M30 WeakPolarHBondContact O-CB 3.28Å; C27-M30 PolarHBondContact O-N 3.27Å; C27-K31 PolarHBondContact O-N 3.3Å; C27-K31 VanDerWaalsContact O-N 3.07Å
28	P	40.2	Very low	46.5	Very low	90 Å²	90	61.9 Å²	61.9	58%	0.584	34%	0.343	S	S	*	.	H	α-helix	trans	-55.8	-39.4	177.7	-26.6	34.7	0	0	0	113.6	M30 K31 D32	P28-M30 PolarHBondContact O-N 2.91Å; P28-M30 VanDerWaalsContact O-N 3.16Å; P28-K31 WeakPolarHBondContact O-CB 3.3Å; P28-K31 PolarHBondContact O-N 2.99Å; P28-D32 PolarHBondContact O-N 2.65Å
29	S	41.1	Very low	46.3	Very low	94 Å²	94	66.2 Å²	66.2	66%	0.657	36%	0.36	S	S	*	.	H	α-helix	trans	-60.9	-23.4	174.2	53.7	0	0	0	0	113.3	C27 F33	C27-S29 VanDerWaalsContact C-N 3.28Å; C27-S29 PolarHBondContact O-N 2.68Å; S29-F33 PolarHBondContact O-N 3.12Å
30	M	48	Very low	45.9	Very low	29 Å²	29	69.4 Å²	69.4	14%	0.143	36%	0.361	C	S	.	.	H	α-helix	trans	-93.6	-29.6	-176.8	-158.9	152	70.6	0	0	112.3	V23 C27 P28 D32 F33 L34 F79 C83	V23-M30 HydrophobicContact CG1-CE 4.28Å; C27-M30 HydrophobicContact CB-CB 3.47Å; C27-M30 VanDerWaalsContact CB-CB 3.47Å; C27-M30 HydrophobicContact CB-CE 3.44Å; C27-M30 VanDerWaalsContact CB-CE 3.44Å; C27-M30 HydrophobicContact CB-CG 4.45Å; C27-M30 HydrophobicContact CB-SD 4.23Å; C27-M30 WeakPolarHBondContact O-CA 3.26Å; C27-M30 VanDerWaalsContact O-CB 3.25Å; C27-M30 WeakPolarHBondContact O-CB 3.28Å; C27-M30 PolarHBondContact O-N 3.27Å; P28-M30 PolarHBondContact O-N 2.91Å; P28-M30 VanDerWaalsContact O-N 3.16Å; M30-D32 VanDerWaalsContact C-N 3.3Å; M30-F33 PolarHBondContact O-N 2.99Å; M30-L34 WeakPolarHBondContact O-CB 3.32Å; M30-L34 WeakPolarHBondContact O-CD1 3.43Å; M30-L34 VanDerWaalsContact O-CG 3.26Å; M30-L34 WeakPolarHBondContact O-CG 3.49Å; M30-L34 PolarHBondContact O-N 3.38Å; M30-F79 HydrophobicContact CE-CD1 4.39Å; M30-F79 HydrophobicContact CE-CE1 3.44Å; M30-F79 VanDerWaalsContact CE-CE1 3.44Å; M30-F79 HydrophobicContact CE-CE2 4.3Å; M30-F79 HydrophobicContact CE-CZ 3.42Å; M30-F79 VanDerWaalsContact CE-CZ 3.42Å; M30-F79 HydrophobicContact CG-CE1 4.4Å; M30-F79 HydrophobicContact CG-CZ 3.74Å; M30-F79 HydrophobicContact SD-CE1 3.84Å; M30-F79 HydrophobicContact SD-CE2 3.72Å; M30-F79 HydrophobicContact SD-CZ 3.12Å; M30-F79 WeakPolarHBondContact SD-CZ 3.48Å; M30-C83 HydrophobicContact CE-CB 4.27Å; M30-C83 WeakPolarHBondContact CE-SG 3.26Å
31	K	47.1	Very low	45.4	Very low	81 Å²	81	67.9 Å²	67.9	35%	0.352	35%	0.354	S	S	.	.	H	α-helix	trans	-56.8	-48.7	162.7	-174.2	-174.8	179.3	-174.5	0	110	A24 C27 P28 F33 L34 E35	A24-K31 HydrophobicContact CB-CD 4.04Å; A24-K31 HydrophobicContact CB-CG 4.45Å; C27-K31 PolarHBondContact O-N 3.3Å; C27-K31 VanDerWaalsContact O-N 3.07Å; P28-K31 WeakPolarHBondContact O-CB 3.3Å; P28-K31 PolarHBondContact O-N 2.99Å; K31-F33 VanDerWaalsContact C-N 3.3Å; K31-F33 PolarHBondContact O-N 3.34Å; K31-L34 PolarHBondContact O-N 3.14Å; K31-E35 WeakPolarHBondContact CE-OE1 3.27Å; K31-E35 HydrophobicContact CG-CG 4.42Å; K31-E35 IonicContact NZ-OE1 2.94Å; K31-E35 WeakPolarHBondContact O-CB 3.49Å; K31-E35 WeakPolarHBondContact O-CG 3.42Å; K31-E35 PolarHBondContact O-N 3.37Å
32	D	50.7	Low	45.1	Very low	88 Å²	88	67 Å²	67	47%	0.471	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-38.3	176.6	-70.2	-19.4	0	0	0	112.1	P28 M30 H36	P28-D32 PolarHBondContact O-N 2.65Å; M30-D32 VanDerWaalsContact C-N 3.3Å; D32-H36 WeakPolarHBondContact O-CB 3.49Å; D32-H36 PolarHBondContact O-N 3.32Å; D32-H36 PolarHBondContact O-ND1 3.35Å
33	F	47.3	Very low	44.9	Very low	73 Å²	73	65.6 Å²	65.6	32%	0.32	34%	0.338	S	S	.	.	H	α-helix	trans	-65.1	-46.4	175.5	176.2	-98.7	0	0	0	112.3	S29 M30 K31 H36 L37 I146	S29-F33 PolarHBondContact O-N 3.12Å; M30-F33 PolarHBondContact O-N 2.99Å; K31-F33 VanDerWaalsContact C-N 3.3Å; K31-F33 PolarHBondContact O-N 3.34Å; F33-H36 PolarHBondContact O-N 3.11Å; F33-L37 WeakPolarHBondContact O-CB 3.37Å; F33-L37 PolarHBondContact O-N 2.93Å; F33-I146 HydrophobicContact CE2-CD1 4.21Å; F33-I146 HydrophobicContact CZ-CD1 4.02Å; F33-I146 HydrophobicContact CZ-CG1 4.1Å
34	L	50.8	Low	44.6	Very low	9 Å²	9	70.3 Å²	70.3	5%	0.047	36%	0.357	C	S	.	.	H	α-helix	trans	-67.2	-43.4	179.2	-70.4	163.7	0	0	0	111.1	V14 I17 I18 V23 M30 K31 H36 L37 E38	V14-L34 VanDerWaalsContact CG1-O 3.28Å; V14-L34 WeakPolarHBondContact CG1-O 3.35Å; I17-L34 HydrophobicContact CB-CD1 4.23Å; I17-L34 HydrophobicContact CB-CD2 4.3Å; I17-L34 HydrophobicContact CD1-CD2 4.39Å; I17-L34 HydrophobicContact CG2-CD1 3.36Å; I17-L34 HydrophobicContact CG2-CD2 3.9Å; I17-L34 HydrophobicContact CG2-CG 4.27Å; I18-L34 HydrophobicContact CD1-CB 4.03Å; I18-L34 HydrophobicContact CG1-CB 3.54Å; V23-L34 HydrophobicContact CG1-CD1 4.09Å; M30-L34 WeakPolarHBondContact O-CB 3.32Å; M30-L34 WeakPolarHBondContact O-CD1 3.43Å; M30-L34 VanDerWaalsContact O-CG 3.26Å; M30-L34 WeakPolarHBondContact O-CG 3.49Å; M30-L34 PolarHBondContact O-N 3.38Å; K31-L34 PolarHBondContact O-N 3.14Å; L34-H36 VanDerWaalsContact C-N 3.28Å; L34-H36 PolarHBondContact O-N 3.39Å; L34-L37 CarbonylContact O-C 3.34Å; L34-L37 WeakPolarHBondContact O-CB 3.49Å; L34-L37 PolarHBondContact O-N 3.45Å; L34-L37 VanDerWaalsContact O-N 3.12Å; L34-E38 WeakPolarHBondContact O-CB 3.16Å; L34-E38 PolarHBondContact O-N 2.93Å
35	E	53.2	Low	44.3	Very low	53 Å²	53	69.6 Å²	69.6	25%	0.248	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-38.1	173.5	-75.4	-173.2	-173.7	0	0	111.8	I18 K31 K39	I18-E35 HydrophobicContact CD1-CG 4.2Å; I18-E35 HydrophobicContact CG2-CG 4.29Å; K31-E35 WeakPolarHBondContact CE-OE1 3.27Å; K31-E35 HydrophobicContact CG-CG 4.42Å; K31-E35 IonicContact NZ-OE1 2.94Å; K31-E35 WeakPolarHBondContact O-CB 3.49Å; K31-E35 WeakPolarHBondContact O-CG 3.42Å; K31-E35 PolarHBondContact O-N 3.37Å; E35-K39 WeakPolarHBondContact O-CB 3.47Å; E35-K39 VanDerWaalsContact O-CG 3.25Å; E35-K39 WeakPolarHBondContact O-CG 3.23Å; E35-K39 PolarHBondContact O-N 3.34Å
36	H	50.8	Low	44.1	Very low	120 Å²	120	67.6 Å²	67.6	56%	0.556	34%	0.341	S	S	*	.	H	α-helix	trans	-67.2	-40.5	173.1	-83.2	121.4	0	0	0	112.4	D32 F33 L34 E38 K39 R40	D32-H36 WeakPolarHBondContact O-CB 3.49Å; D32-H36 PolarHBondContact O-N 3.32Å; D32-H36 PolarHBondContact O-ND1 3.35Å; F33-H36 PolarHBondContact O-N 3.11Å; L34-H36 VanDerWaalsContact C-N 3.28Å; L34-H36 PolarHBondContact O-N 3.39Å; H36-E38 VanDerWaalsContact C-N 3.33Å; H36-K39 PolarHBondContact O-N 3.01Å; H36-R40 WeakPolarHBondContact O-CB 3.28Å; H36-R40 WeakPolarHBondContact O-CG 3.36Å; H36-R40 PolarHBondContact O-N 2.88Å
37	L	48.9	Very low	43.8	Very low	27 Å²	27	71 Å²	71	14%	0.141	36%	0.359	C	S	.	.	H	α-helix	trans	-64.6	-41.3	176.4	-169.2	68.3	0	0	0	110.6	V14 F33 L34 R40 C41 V149	V14-L37 HydrophobicContact CG1-CB 4.41Å; V14-L37 HydrophobicContact CG2-CD2 3.81Å; V14-L37 HydrophobicContact CG2-CG 4.17Å; F33-L37 WeakPolarHBondContact O-CB 3.37Å; F33-L37 PolarHBondContact O-N 2.93Å; L34-L37 CarbonylContact O-C 3.34Å; L34-L37 WeakPolarHBondContact O-CB 3.49Å; L34-L37 PolarHBondContact O-N 3.45Å; L34-L37 VanDerWaalsContact O-N 3.12Å; L37-R40 PolarHBondContact O-N 3.4Å; L37-C41 WeakPolarHBondContact O-CB 3.34Å; L37-C41 PolarHBondContact O-N 3.36Å; L37-C41 PolarHBondContact O-SG 3.42Å; L37-V149 HydrophobicContact CD1-CG1 4.17Å
38	E	48.3	Very low	43.3	Very low	36 Å²	36	73.5 Å²	73.5	17%	0.168	38%	0.382	C	S	.	.	H	α-helix	trans	-60.1	-53.7	175.1	-163.5	-175	-164.8	0	0	110.2	V14 T15 I18 L34 H36 R40 C41 I42	V14-E38 HydrophobicContact CB-CB 4.47Å; V14-E38 HydrophobicContact CG1-CB 3.56Å; V14-E38 HydrophobicContact CG1-CG 4.12Å; T15-E38 WeakPolarHBondContact CB-OE1 3.25Å; T15-E38 PolarHBondContact OG1-OE1 3.36Å; I18-E38 HydrophobicContact CD1-CB 3.79Å; I18-E38 HydrophobicContact CD1-CG 4.15Å; I18-E38 WeakPolarHBondContact CD1-OE2 3.34Å; L34-E38 WeakPolarHBondContact O-CB 3.16Å; L34-E38 PolarHBondContact O-N 2.93Å; H36-E38 VanDerWaalsContact C-N 3.33Å; E38-R40 VanDerWaalsContact C-N 3.28Å; E38-R40 PolarHBondContact O-N 2.97Å; E38-C41 PolarHBondContact O-N 2.82Å; E38-C41 VanDerWaalsContact O-N 3.16Å; E38-I42 HydrophobicContact CG-CD1 3.73Å; E38-I42 HydrophobicContact CG-CG1 4.38Å; E38-I42 WeakPolarHBondContact O-CB 3.35Å; E38-I42 VanDerWaalsContact O-CG1 3.28Å; E38-I42 WeakPolarHBondContact O-CG1 3.48Å; E38-I42 PolarHBondContact O-N 3.21Å
39	K	49	Very low	42.8	Very low	118 Å²	118	71.3 Å²	71.3	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-58.7	-40.2	179	-75.5	170.5	-174.4	162.8	0	111.9	E35 H36 T43	E35-K39 WeakPolarHBondContact O-CB 3.47Å; E35-K39 VanDerWaalsContact O-CG 3.25Å; E35-K39 WeakPolarHBondContact O-CG 3.23Å; E35-K39 PolarHBondContact O-N 3.34Å; H36-K39 PolarHBondContact O-N 3.01Å; K39-T43 VanDerWaalsContact O-CB 3.26Å; K39-T43 WeakPolarHBondContact O-CB 3.36Å; K39-T43 PolarHBondContact O-N 3.13Å; K39-T43 PolarHBondContact O-OG1 2.83Å
40	R	45.9	Very low	42.1	Very low	164 Å²	164	69.4 Å²	69.4	62%	0.619	36%	0.36	S	S	*	.	H	α-helix	trans	-66.9	-48	175.5	-79.4	-174.8	172	-158.9	-0.8	111.2	H36 L37 E38 I42 T43 F44	H36-R40 WeakPolarHBondContact O-CB 3.28Å; H36-R40 WeakPolarHBondContact O-CG 3.36Å; H36-R40 PolarHBondContact O-N 2.88Å; L37-R40 PolarHBondContact O-N 3.4Å; E38-R40 VanDerWaalsContact C-N 3.28Å; E38-R40 PolarHBondContact O-N 2.97Å; R40-I42 PolarHBondContact O-N 3.11Å; R40-T43 PolarHBondContact O-N 3.13Å; R40-F44 WeakPolarHBondContact O-CB 3.2Å; R40-F44 WeakPolarHBondContact O-CD2 3.31Å; R40-F44 PolarHBondContact O-N 3.16Å
41	C	41.7	Very low	41.5	Very low	7 Å²	7	76 Å²	76	5%	0.047	40%	0.396	C	S	.	.	H	α-helix	trans	-62.5	-40.8	178.8	-68.7	0	0	0	0	112	L37 E38 S45	L37-C41 WeakPolarHBondContact O-CB 3.34Å; L37-C41 PolarHBondContact O-N 3.36Å; L37-C41 PolarHBondContact O-SG 3.42Å; E38-C41 PolarHBondContact O-N 2.82Å; E38-C41 VanDerWaalsContact O-N 3.16Å; C41-S45 WeakPolarHBondContact O-CB 3.04Å; C41-S45 PolarHBondContact O-N 2.78Å; C41-S45 PolarHBondContact O-OG 3.37Å
42	I	41.8	Very low	40.8	Very low	61 Å²	61	76.9 Å²	76.9	31%	0.313	40%	0.401	S	S	.	.	H	α-helix	trans	-66.3	-45	175.1	-69.7	172.9	0	0	0	110.5	T11 E38 R40 F44 S45 L46	T11-I42 HydrophobicContact CG2-CD1 4.25Å; T11-I42 HydrophobicContact CG2-CG1 3.6Å; E38-I42 HydrophobicContact CG-CD1 3.73Å; E38-I42 HydrophobicContact CG-CG1 4.38Å; E38-I42 WeakPolarHBondContact O-CB 3.35Å; E38-I42 VanDerWaalsContact O-CG1 3.28Å; E38-I42 WeakPolarHBondContact O-CG1 3.48Å; E38-I42 PolarHBondContact O-N 3.21Å; R40-I42 PolarHBondContact O-N 3.11Å; I42-F44 VanDerWaalsContact C-N 3.34Å; I42-F44 PolarHBondContact O-N 3.38Å; I42-S45 PolarHBondContact O-N 3.45Å; I42-L46 HydrophobicContact CG2-CD1 3.57Å; I42-L46 HydrophobicContact CG2-CG 4.11Å; I42-L46 VanDerWaalsContact O-CB 3.3Å; I42-L46 WeakPolarHBondContact O-CB 3.24Å; I42-L46 VanDerWaalsContact O-CG 3.28Å; I42-L46 WeakPolarHBondContact O-CG 3.28Å; I42-L46 PolarHBondContact O-N 3.15Å
43	T	38.8	Very low	39.9	Very low	77 Å²	77	78 Å²	78	47%	0.472	41%	0.413	S	S	.	.	H	α-helix	trans	-63.4	-42.1	178.7	-58.2	0	0	0	0	111.1	K39 R40 N47	K39-T43 VanDerWaalsContact O-CB 3.26Å; K39-T43 WeakPolarHBondContact O-CB 3.36Å; K39-T43 PolarHBondContact O-N 3.13Å; K39-T43 PolarHBondContact O-OG1 2.83Å; R40-T43 PolarHBondContact O-N 3.13Å; T43-N47 VanDerWaalsContact O-CB 3.3Å; T43-N47 WeakPolarHBondContact O-CB 3.46Å; T43-N47 PolarHBondContact O-N 2.96Å; T43-N47 PolarHBondContact O-ND2 3.49Å; T43-N47 VanDerWaalsContact O-ND2 3.16Å
44	F	35.4	Very low	39.3	Very low	109 Å²	109	78.2 Å²	78.2	48%	0.478	42%	0.417	S	S	.	.	H	α-helix	trans	-65.4	-43.3	173.5	-93.2	-82.4	0	0	0	111.9	R40 I42 N47 A48	R40-F44 WeakPolarHBondContact O-CB 3.2Å; R40-F44 WeakPolarHBondContact O-CD2 3.31Å; R40-F44 PolarHBondContact O-N 3.16Å; I42-F44 VanDerWaalsContact C-N 3.34Å; I42-F44 PolarHBondContact O-N 3.38Å; F44-N47 PolarHBondContact O-N 2.71Å; F44-A48 VanDerWaalsContact O-CB 3.25Å; F44-A48 WeakPolarHBondContact O-CB 3.39Å; F44-A48 PolarHBondContact O-N 2.94Å
45	S	33.1	Very low	38.3	Very low	12 Å²	12	82.9 Å²	82.9	8%	0.084	44%	0.439	C	S	.	.	H	α-helix	trans	-63.2	-45.5	177.5	-63.6	0	0	0	0	111	C41 I42 N47 A48 L49	C41-S45 WeakPolarHBondContact O-CB 3.04Å; C41-S45 PolarHBondContact O-N 2.78Å; C41-S45 PolarHBondContact O-OG 3.37Å; I42-S45 PolarHBondContact O-N 3.45Å; S45-N47 VanDerWaalsContact C-N 3.34Å; S45-N47 PolarHBondContact O-N 3.3Å; S45-A48 CarbonylContact O-C 3.58Å; S45-A48 PolarHBondContact O-N 3.12Å; S45-L49 WeakPolarHBondContact O-CA 3.46Å; S45-L49 WeakPolarHBondContact O-CB 3.42Å; S45-L49 WeakPolarHBondContact O-CD1 3.39Å; S45-L49 PolarHBondContact O-N 2.86Å
46	L	32.5	Very low	37.2	Very low	90 Å²	90	87 Å²	87	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-65.8	-34.7	177.3	-73.5	170.4	0	0	0	112.5	I42	I42-L46 HydrophobicContact CG2-CD1 3.57Å; I42-L46 HydrophobicContact CG2-CG 4.11Å; I42-L46 VanDerWaalsContact O-CB 3.3Å; I42-L46 WeakPolarHBondContact O-CB 3.24Å; I42-L46 VanDerWaalsContact O-CG 3.28Å; I42-L46 WeakPolarHBondContact O-CG 3.28Å; I42-L46 PolarHBondContact O-N 3.15Å
47	N	34.2	Very low	36.1	Very low	128 Å²	128	88.7 Å²	88.7	68%	0.684	47%	0.471	S	S	*	.	H	α-helix	trans	-72	-33	173.4	-72.5	-23	0	0	0	112.3	T43 F44 S45	T43-N47 VanDerWaalsContact O-CB 3.3Å; T43-N47 WeakPolarHBondContact O-CB 3.46Å; T43-N47 PolarHBondContact O-N 2.96Å; T43-N47 PolarHBondContact O-ND2 3.49Å; T43-N47 VanDerWaalsContact O-ND2 3.16Å; F44-N47 PolarHBondContact O-N 2.71Å; S45-N47 VanDerWaalsContact C-N 3.34Å; S45-N47 PolarHBondContact O-N 3.3Å
48	A	30.9	Very low	35	Very low	78 Å²	78	93.2 Å²	93.2	65%	0.645	49%	0.49	S	S	*	.	H	α-helix	trans	-82.7	-26.6	176.9	0	0	0	0	0	113.6	F44 S45	F44-A48 VanDerWaalsContact O-CB 3.25Å; F44-A48 WeakPolarHBondContact O-CB 3.39Å; F44-A48 PolarHBondContact O-N 2.94Å; S45-A48 CarbonylContact O-C 3.58Å; S45-A48 PolarHBondContact O-N 3.12Å
49	L	29.5	Very low	34.1	Very low	43 Å²	43	97.8 Å²	97.8	23%	0.225	51%	0.514	C	S	.	.	S	Bend	trans	-95.2	19.1	-179	-83.5	144.4	0	0	0	113.4	I4 S45 N51 H52	I4-L49 HydrophobicContact CG2-CD2 4.16Å; S45-L49 WeakPolarHBondContact O-CA 3.46Å; S45-L49 WeakPolarHBondContact O-CB 3.42Å; S45-L49 WeakPolarHBondContact O-CD1 3.39Å; S45-L49 PolarHBondContact O-N 2.86Å; L49-N51 PolarHBondContact O-N 2.68Å; L49-H52 HydrophobicContact CD2-CB 3.75Å; L49-H52 PolarHBondContact O-N 2.87Å; L49-H52 VanDerWaalsContact O-N 3.12Å
50	G	26.6	Very low	33.1	Very low	55 Å²	55	98.8 Å²	98.8	57%	0.567	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.4	103.1	174.1	0	0	0	0	0	111.5
51	N	36.2	Very low	32.2	Very low	167 Å²	167	95.1 Å²	95.1	89%	0.893	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	23.3	177.6	-49	-45.7	0	0	0	120.7	L49 P53	L49-N51 PolarHBondContact O-N 2.68Å; N51-P53 WeakPolarHBondContact O-CD 3.25Å
52	H	31.4	Very low	31.7	Very low	100 Å²	100	101.8 Å²	101.8	46%	0.463	55%	0.553	S	S	.	*			trans	-91	121.6	174.9	-148.9	-88	0	0	0	114.4	L49 D54	L49-H52 HydrophobicContact CD2-CB 3.75Å; L49-H52 PolarHBondContact O-N 2.87Å; L49-H52 VanDerWaalsContact O-N 3.12Å; H52-D54 VanDerWaalsContact C-N 3.34Å; H52-D54 IonicContact CE1-OD2 3.91Å; H52-D54 PolarHBondContact CE1-OD2 3.03Å; H52-D54 IonicContact ND1-OD2 2.63Å; H52-D54 PolarHBondContact O-N 2.8Å
53	P	31.7	Very low	31.1	Very low	110 Å²	110	102.8 Å²	102.8	71%	0.714	57%	0.565	S	S	*	*	S	Bend	trans	-74.8	-9	-173.7	26.5	-32.4	0	0	0	116.4	N51 Q55	N51-P53 WeakPolarHBondContact O-CD 3.25Å; P53-Q55 PolarHBondContact O-N 3.22Å
54	D	34.3	Very low	30.7	Very low	78 Å²	78	103.7 Å²	103.7	42%	0.417	57%	0.567	S	S	.	*			trans	-97	28.3	-167.6	-58.8	-21.3	0	0	0	114.8	H52 N56	H52-D54 VanDerWaalsContact C-N 3.34Å; H52-D54 IonicContact CE1-OD2 3.91Å; H52-D54 PolarHBondContact CE1-OD2 3.03Å; H52-D54 IonicContact ND1-OD2 2.63Å; H52-D54 PolarHBondContact O-N 2.8Å; D54-N56 PolarHBondContact O-N 3.46Å
55	Q	30.5	Very low	30.3	Very low	108 Å²	108	101.6 Å²	101.6	51%	0.505	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.3	-22.2	-174	-64.4	-161.5	-51.8	0	0	115	P53 I59	P53-Q55 PolarHBondContact O-N 3.22Å; Q55-I59 WeakPolarHBondContact O-CD1 3.09Å
56	N	30	Very low	30	Very low	139 Å²	139	104.5 Å²	104.5	74%	0.743	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-16.2	-169.9	-83.2	1.4	0	0	0	115.2	D54	D54-N56 PolarHBondContact O-N 3.46Å
57	E	27.6	Very low	29.7	Very low	156 Å²	156	107 Å²	107	73%	0.729	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-27.9	-171.3	-154.6	166.8	-159.7	0	0	112.5
58	F	25.8	Very low	29.4	Very low	121 Å²	121	104 Å²	104	53%	0.531	59%	0.59	S	S	.	*	S	Bend	trans	-87.1	-15.1	-174.7	-74.9	-86.1	0	0	0	115.2	L8 N60	L8-F58 HydrophobicContact CD2-CB 4.12Å; L8-F58 HydrophobicContact CD2-CD1 4.32Å; L8-F58 HydrophobicContact CD2-CG 4.2Å; F58-N60 VanDerWaalsContact C-N 3.35Å
59	I	29.6	Very low	29.3	Very low	132 Å²	132	104 Å²	104	68%	0.677	59%	0.585	S	S	*	*	S	Bend	trans	-82.3	-15.2	-175.6	-63.3	174.1	0	0	0	111.9	Q55	Q55-I59 WeakPolarHBondContact O-CD1 3.09Å
60	N	28.1	Very low	29.4	Very low	139 Å²	139	106.7 Å²	106.7	74%	0.743	61%	0.605	S	S	*	*	S	Bend	trans	-105.1	5	-169.5	-78.2	-28.7	0	0	0	115.4	F58	F58-N60 VanDerWaalsContact C-N 3.35Å
61	D	26.2	Very low	29.8	Very low	88 Å²	88	108.1 Å²	108.1	47%	0.471	61%	0.606	S	S	.	*			trans	-108.8	91.4	-177.9	-155.2	-16.2	0	0	0	112.4	S63 D64	D61-S63 VanDerWaalsContact CG-OG 3.22Å; D61-S63 PolarHBondContact O-N 2.95Å; D61-S63 VanDerWaalsContact O-N 3.1Å; D61-S63 VanDerWaalsContact OD1-CB 3.24Å; D61-S63 WeakPolarHBondContact OD1-CB 3.36Å; D61-S63 PolarHBondContact OD1-N 2.95Å; D61-S63 VanDerWaalsContact OD1-N 3.1Å; D61-S63 PolarHBondContact OD1-OG 3.39Å; D61-S63 PolarHBondContact OD2-OG 3.2Å; D61-D64 PolarHBondContact O-N 2.94Å
62	D	31.2	Very low	30	Very low	146 Å²	146	103.3 Å²	103.3	78%	0.781	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-61	-11.5	173.3	-79.4	-28.5	0	0	0	113.2
63	S	30	Very low	30.5	Very low	82 Å²	82	105.7 Å²	105.7	57%	0.573	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-77.2	-20.4	-177.4	73.9	0	0	0	0	114.2	D61 V65	D61-S63 VanDerWaalsContact CG-OG 3.22Å; D61-S63 PolarHBondContact O-N 2.95Å; D61-S63 VanDerWaalsContact O-N 3.1Å; D61-S63 VanDerWaalsContact OD1-CB 3.24Å; D61-S63 WeakPolarHBondContact OD1-CB 3.36Å; D61-S63 PolarHBondContact OD1-N 2.95Å; D61-S63 VanDerWaalsContact OD1-N 3.1Å; D61-S63 PolarHBondContact OD1-OG 3.39Å; D61-S63 PolarHBondContact OD2-OG 3.2Å; S63-V65 VanDerWaalsContact C-N 3.34Å
64	D	29.4	Very low	31.2	Very low	96 Å²	96	105.1 Å²	105.1	51%	0.513	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-83.3	-9.4	179.5	-84.5	-26.3	0	0	0	113.9	D61 G66 L67	D61-D64 PolarHBondContact O-N 2.94Å; D64-G66 PolarHBondContact O-N 3.02Å; D64-L67 PolarHBondContact O-N 2.67Å
65	V	28.8	Very low	31.8	Very low	66 Å²	66	104.6 Å²	104.6	40%	0.4	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-62	-21.8	171.5	-179.2	0	0	0	0	111.2	S63 L67 M68	S63-V65 VanDerWaalsContact C-N 3.34Å; V65-L67 VanDerWaalsContact C-N 3.28Å; V65-L67 PolarHBondContact O-N 2.96Å; V65-M68 HydrophobicContact CG1-CE 3.7Å; V65-M68 HydrophobicContact CG1-SD 3.98Å; V65-M68 WeakPolarHBondContact O-CG 3.39Å; V65-M68 PolarHBondContact O-N 3.19Å
66	G	25.9	Very low	32.6	Very low	72 Å²	72	101.2 Å²	101.2	74%	0.742	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-71	-12.8	176.8	0	0	0	0	0	115.7	D64 M68	D64-G66 PolarHBondContact O-N 3.02Å; G66-M68 VanDerWaalsContact C-N 3.34Å
67	L	25.8	Very low	33.6	Very low	144 Å²	144	100 Å²	100	75%	0.754	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-92.8	8.1	178.6	-74.1	165.1	0	0	0	113.5	D64 V65 C69	D64-L67 PolarHBondContact O-N 2.67Å; V65-L67 VanDerWaalsContact C-N 3.28Å; V65-L67 PolarHBondContact O-N 2.96Å; L67-C69 PolarHBondContact O-N 2.86Å
68	M	29	Very low	34.7	Very low	63 Å²	63	97.8 Å²	97.8	31%	0.31	54%	0.536	S	S	.	.			trans	-55	125.9	175.6	-78.5	-178.8	175.6	0	0	111.1	L13 V65 G66	L13-M68 HydrophobicContact CD1-CE 3.89Å; V65-M68 HydrophobicContact CG1-CE 3.7Å; V65-M68 HydrophobicContact CG1-SD 3.98Å; V65-M68 WeakPolarHBondContact O-CG 3.39Å; V65-M68 PolarHBondContact O-N 3.19Å; G66-M68 VanDerWaalsContact C-N 3.34Å
69	C	27.7	Very low	35.8	Very low	79 Å²	79	93 Å²	93	53%	0.534	52%	0.515	S	S	.	.			trans	-48.3	132.8	171.4	-84.2	0	0	0	0	109.4	L67 S71 M72 K73	L67-C69 PolarHBondContact O-N 2.86Å; C69-S71 WeakPolarHBondContact CB-OG 3.3Å; C69-S71 PolarHBondContact O-N 2.77Å; C69-M72 WeakPolarHBondContact O-CB 3.5Å; C69-M72 PolarHBondContact O-N 3.25Å; C69-K73 PolarHBondContact O-N 3.31Å
70	P	30.9	Very low	36.6	Very low	100 Å²	100	91 Å²	91	65%	0.649	50%	0.501	S	S	*	.	H	α-helix	trans	-46.1	-38.1	176.3	-30.3	34.9	0	0	0	112.7	M72 K73 D74	P70-M72 VanDerWaalsContact C-N 3.31Å; P70-M72 PolarHBondContact O-N 3.28Å; P70-K73 PolarHBondContact O-N 3.36Å; P70-D74 WeakPolarHBondContact O-CB 3.49Å; P70-D74 PolarHBondContact O-N 3.17Å
71	S	35.1	Very low	37.5	Very low	84 Å²	84	87.4 Å²	87.4	59%	0.587	48%	0.478	S	S	*	.	H	α-helix	trans	-59.6	-31.4	176.9	60.1	0	0	0	0	115.2	C69 F75	C69-S71 WeakPolarHBondContact CB-OG 3.3Å; C69-S71 PolarHBondContact O-N 2.77Å; S71-F75 VanDerWaalsContact O-CB 3.3Å; S71-F75 WeakPolarHBondContact O-CB 3.21Å; S71-F75 PolarHBondContact O-N 3.48Å
72	M	41.1	Very low	38.5	Very low	66 Å²	66	85.1 Å²	85.1	33%	0.325	47%	0.466	S	S	.	.	H	α-helix	trans	-80.7	-38	-179.3	-155.4	93.8	82.4	0	0	111.3	L13 C69 P70 D74 F75 L76	L13-M72 HydrophobicContact CD1-CE 4.42Å; L13-M72 HydrophobicContact CD1-CG 3.65Å; L13-M72 HydrophobicContact CD1-SD 4.35Å; L13-M72 HydrophobicContact CD2-CE 3.61Å; L13-M72 HydrophobicContact CD2-CG 3.85Å; L13-M72 HydrophobicContact CD2-SD 3.4Å; L13-M72 WeakPolarHBondContact CD2-SD 3.4Å; L13-M72 HydrophobicContact CG-CG 4.4Å; C69-M72 WeakPolarHBondContact O-CB 3.5Å; C69-M72 PolarHBondContact O-N 3.25Å; P70-M72 VanDerWaalsContact C-N 3.31Å; P70-M72 PolarHBondContact O-N 3.28Å; M72-D74 VanDerWaalsContact C-N 3.32Å; M72-F75 PolarHBondContact O-N 2.84Å; M72-L76 WeakPolarHBondContact O-CG 3.43Å; M72-L76 PolarHBondContact O-N 3.39Å
73	K	42.1	Very low	38.9	Very low	151 Å²	151	78.9 Å²	78.9	66%	0.657	43%	0.433	S	S	*	.	H	α-helix	trans	-64.2	-41.7	172.5	-174.8	176.6	179.1	-179.6	0	110.5	C69 P70 L76 K77	C69-K73 PolarHBondContact O-N 3.31Å; P70-K73 PolarHBondContact O-N 3.36Å; K73-L76 PolarHBondContact O-N 2.97Å; K73-K77 WeakPolarHBondContact O-CB 3.18Å; K73-K77 PolarHBondContact O-N 2.82Å
74	D	46.3	Very low	39.4	Very low	97 Å²	97	76.3 Å²	76.3	52%	0.519	42%	0.417	S	S	.	.	H	α-helix	trans	-67.3	-39.8	175.6	-66.8	-26.6	0	0	0	111.8	P70 M72 K77 H78	P70-D74 WeakPolarHBondContact O-CB 3.49Å; P70-D74 PolarHBondContact O-N 3.17Å; M72-D74 VanDerWaalsContact C-N 3.32Å; D74-K77 PolarHBondContact O-N 3.34Å; D74-H78 VanDerWaalsContact O-CB 3.27Å; D74-H78 WeakPolarHBondContact O-CB 3.28Å; D74-H78 PolarHBondContact O-N 3.01Å
75	F	46.5	Very low	39.9	Very low	67 Å²	67	77.2 Å²	77.2	29%	0.294	41%	0.413	S	S	.	.	H	α-helix	trans	-57.9	-49	172.1	174.5	-96.8	0	0	0	111.5	S71 M72 K77 H78 F79 F145	S71-F75 VanDerWaalsContact O-CB 3.3Å; S71-F75 WeakPolarHBondContact O-CB 3.21Å; S71-F75 PolarHBondContact O-N 3.48Å; M72-F75 PolarHBondContact O-N 2.84Å; F75-K77 PolarHBondContact O-N 3.28Å; F75-H78 PolarHBondContact O-N 2.94Å; F75-F79 HydrophobicContact CZ-CD2 4.32Å; F75-F79 WeakPolarHBondContact O-CB 3.3Å; F75-F79 PolarHBondContact O-N 3.18Å; F75-F145 HydrophobicContact CE2-CD2 4.34Å; F75-F145 HydrophobicContact CE2-CE2 4.46Å; F75-F145 HydrophobicContact CZ-CE1 4.43Å; F75-F145 HydrophobicContact CZ-CE2 4.3Å; F75-F145 HydrophobicContact CZ-CZ 4.26Å
76	L	47.4	Very low	40.3	Very low	37 Å²	37	78 Å²	78	19%	0.194	43%	0.427	C	S	.	.	H	α-helix	trans	-64.1	-39.6	178.4	-74.4	169.3	0	0	0	112.4	L13 I17 M72 K73 F79 K80	L13-L76 HydrophobicContact CD1-CD1 4.26Å; I17-L76 HydrophobicContact CD1-CD2 3.69Å; I17-L76 HydrophobicContact CG1-CD1 4.5Å; I17-L76 HydrophobicContact CG1-CD2 3.56Å; I17-L76 HydrophobicContact CG2-CD2 4.37Å; M72-L76 WeakPolarHBondContact O-CG 3.43Å; M72-L76 PolarHBondContact O-N 3.39Å; K73-L76 PolarHBondContact O-N 2.97Å; L76-F79 PolarHBondContact O-N 3.35Å; L76-K80 WeakPolarHBondContact O-CB 3.16Å; L76-K80 WeakPolarHBondContact O-CG 3.12Å; L76-K80 PolarHBondContact O-N 3.45Å
77	K	51.2	Low	40.6	Very low	115 Å²	115	82.5 Å²	82.5	50%	0.5	42%	0.423	S	S	.	.	H	α-helix	trans	-62	-45.7	174.9	-161.6	-174	-169.4	-156.1	0	110.8	K73 D74 F75 Y81 F100	K73-K77 WeakPolarHBondContact O-CB 3.18Å; K73-K77 PolarHBondContact O-N 2.82Å; D74-K77 PolarHBondContact O-N 3.34Å; F75-K77 PolarHBondContact O-N 3.28Å; K77-Y81 WeakPolarHBondContact O-CB 3.5Å; K77-Y81 PolarHBondContact O-N 3.38Å; K77-F100 HydrophobicContact CD-CE1 3.8Å; K77-F100 HydrophobicContact CD-CZ 3.6Å; K77-F100 HydrophobicContact CG-CE1 4.33Å; K77-F100 HydrophobicContact CG-CZ 3.97Å
78	H	51.3	Low	41.1	Very low	109 Å²	109	79.3 Å²	79.3	51%	0.505	41%	0.406	S	S	.	.	H	α-helix	trans	-67.8	-37.1	178.8	-162.7	78	0	0	0	112.2	D74 F75 Y81 N82	D74-H78 VanDerWaalsContact O-CB 3.27Å; D74-H78 WeakPolarHBondContact O-CB 3.28Å; D74-H78 PolarHBondContact O-N 3.01Å; F75-H78 PolarHBondContact O-N 2.94Å; H78-Y81 PolarHBondContact O-N 2.95Å; H78-N82 PolarHBondContact CD2-ND2 3.47Å; H78-N82 PolarHBondContact NE2-ND2 3.2Å; H78-N82 WeakPolarHBondContact O-CB 3.25Å; H78-N82 PolarHBondContact O-N 3.35Å; H78-N82 PolarHBondContact O-ND2 3.23Å; H78-N82 VanDerWaalsContact O-ND2 3.13Å
79	F	48	Very low	41.5	Very low	21 Å²	21	81.5 Å²	81.5	9%	0.092	43%	0.425	C	S	.	.	H	α-helix	trans	-67.3	-47.6	177.2	-174.1	-101.3	0	0	0	111.8	V23 M30 F75 L76 Y81 N82 C83 M142	V23-F79 HydrophobicContact CG1-CE1 4.3Å; M30-F79 HydrophobicContact CE-CD1 4.39Å; M30-F79 HydrophobicContact CE-CE1 3.44Å; M30-F79 VanDerWaalsContact CE-CE1 3.44Å; M30-F79 HydrophobicContact CE-CE2 4.3Å; M30-F79 HydrophobicContact CE-CZ 3.42Å; M30-F79 VanDerWaalsContact CE-CZ 3.42Å; M30-F79 HydrophobicContact CG-CE1 4.4Å; M30-F79 HydrophobicContact CG-CZ 3.74Å; M30-F79 HydrophobicContact SD-CE1 3.84Å; M30-F79 HydrophobicContact SD-CE2 3.72Å; M30-F79 HydrophobicContact SD-CZ 3.12Å; M30-F79 WeakPolarHBondContact SD-CZ 3.48Å; F75-F79 HydrophobicContact CZ-CD2 4.32Å; F75-F79 WeakPolarHBondContact O-CB 3.3Å; F75-F79 PolarHBondContact O-N 3.18Å; L76-F79 PolarHBondContact O-N 3.35Å; F79-Y81 VanDerWaalsContact C-N 3.32Å; F79-Y81 PolarHBondContact O-N 3.03Å; F79-N82 PolarHBondContact O-N 3.06Å; F79-C83 PolarHBondContact O-N 3.46Å; F79-C83 PolarHBondContact O-SG 3.16Å; F79-M142 HydrophobicContact CD2-CE 4.02Å; F79-M142 HydrophobicContact CE2-CE 3.68Å
80	K	46.7	Very low	42	Very low	89 Å²	89	81.2 Å²	81.2	39%	0.387	43%	0.429	S	S	.	.	H	α-helix	trans	-57.1	-45.3	173	-75.6	-177.4	177.4	-166	0	111.6	D20 L76 C83 A84	D20-K80 WeakPolarHBondContact OD2-CE 3.48Å; D20-K80 IonicContact OD2-NZ 3.06Å; D20-K80 PolarHBondContact OD2-NZ 3.22Å; L76-K80 WeakPolarHBondContact O-CB 3.16Å; L76-K80 WeakPolarHBondContact O-CG 3.12Å; L76-K80 PolarHBondContact O-N 3.45Å; K80-C83 PolarHBondContact O-N 2.89Å; K80-A84 WeakPolarHBondContact O-CB 3.41Å; K80-A84 PolarHBondContact O-N 3.29Å
81	Y	47.8	Very low	42.4	Very low	63 Å²	63	79.2 Å²	79.2	25%	0.247	41%	0.412	C	S	.	.	H	α-helix	trans	-60.5	-47.3	177.2	-179.8	-97.2	0	0	0	112.3	K77 H78 F79 C83 A84 R85 Q97	K77-Y81 WeakPolarHBondContact O-CB 3.5Å; K77-Y81 PolarHBondContact O-N 3.38Å; H78-Y81 PolarHBondContact O-N 2.95Å; F79-Y81 VanDerWaalsContact C-N 3.32Å; F79-Y81 PolarHBondContact O-N 3.03Å; Y81-C83 VanDerWaalsContact C-N 3.34Å; Y81-C83 PolarHBondContact O-N 3.49Å; Y81-A84 PolarHBondContact O-N 3.07Å; Y81-R85 WeakPolarHBondContact O-CB 3.4Å; Y81-R85 PolarHBondContact O-N 2.97Å; Y81-Q97 PolarHBondContact OH-NE2 2.96Å
82	N	46	Very low	42.4	Very low	41 Å²	41	76.3 Å²	76.3	22%	0.219	40%	0.396	C	S	.	.	H	α-helix	trans	-64.8	-37.1	179.6	-79.7	-42	0	0	0	112.8	H78 F79 R85 A86	H78-N82 PolarHBondContact CD2-ND2 3.47Å; H78-N82 PolarHBondContact NE2-ND2 3.2Å; H78-N82 WeakPolarHBondContact O-CB 3.25Å; H78-N82 PolarHBondContact O-N 3.35Å; H78-N82 PolarHBondContact O-ND2 3.23Å; H78-N82 VanDerWaalsContact O-ND2 3.13Å; F79-N82 PolarHBondContact O-N 3.06Å; N82-R85 PolarHBondContact O-N 3.45Å; N82-R85 PolarHBondContact OD1-NH2 3.18Å; N82-A86 WeakPolarHBondContact O-CB 3.39Å; N82-A86 PolarHBondContact O-N 2.76Å
83	C	40.5	Very low	42.3	Very low	15 Å²	15	80.3 Å²	80.3	10%	0.101	42%	0.418	C	S	.	.	H	α-helix	trans	-68.9	-43.8	176.5	-63.5	0	0	0	0	111.8	M30 F79 K80 Y81 R85 A86 Y87	M30-C83 HydrophobicContact CE-CB 4.27Å; M30-C83 WeakPolarHBondContact CE-SG 3.26Å; F79-C83 PolarHBondContact O-N 3.46Å; F79-C83 PolarHBondContact O-SG 3.16Å; K80-C83 PolarHBondContact O-N 2.89Å; Y81-C83 VanDerWaalsContact C-N 3.34Å; Y81-C83 PolarHBondContact O-N 3.49Å; C83-R85 VanDerWaalsContact C-N 3.31Å; C83-R85 PolarHBondContact O-N 3.28Å; C83-A86 PolarHBondContact O-N 2.95Å; C83-Y87 WeakPolarHBondContact O-CB 3.49Å; C83-Y87 PolarHBondContact O-N 2.87Å
84	A	39.5	Very low	41.7	Very low	28 Å²	28	77 Å²	77	23%	0.231	41%	0.405	C	S	.	.	H	α-helix	trans	-60.6	-41.9	174.4	0	0	0	0	0	111.4	K80 Y81 Y87 N88 L91	K80-A84 WeakPolarHBondContact O-CB 3.41Å; K80-A84 PolarHBondContact O-N 3.29Å; Y81-A84 PolarHBondContact O-N 3.07Å; A84-Y87 PolarHBondContact O-N 3.16Å; A84-N88 PolarHBondContact O-N 3.18Å; A84-L91 HydrophobicContact CB-CD1 3.85Å
85	R	41.5	Very low	41.1	Very low	114 Å²	114	77.2 Å²	77.2	43%	0.43	41%	0.412	S	S	.	.	H	α-helix	trans	-64.4	-38.9	175.4	-172.5	178.5	68.4	171.2	-1.7	112.8	Y81 N82 C83 N88 P89	Y81-R85 WeakPolarHBondContact O-CB 3.4Å; Y81-R85 PolarHBondContact O-N 2.97Å; N82-R85 PolarHBondContact O-N 3.45Å; N82-R85 PolarHBondContact OD1-NH2 3.18Å; C83-R85 VanDerWaalsContact C-N 3.31Å; C83-R85 PolarHBondContact O-N 3.28Å; R85-N88 CarbonylContact O-C 3.54Å; R85-P89 WeakPolarHBondContact O-CA 3.09Å
86	A	36	Very low	40.5	Very low	83 Å²	83	77.6 Å²	77.6	69%	0.686	42%	0.417	S	S	*	.	H	α-helix	trans	-69.5	-36.6	176.9	0	0	0	0	0	112.2	N82 C83	N82-A86 WeakPolarHBondContact O-CB 3.39Å; N82-A86 PolarHBondContact O-N 2.76Å; C83-A86 PolarHBondContact O-N 2.95Å
87	Y	33.4	Very low	39.7	Very low	167 Å²	167	79 Å²	79	66%	0.655	42%	0.423	S	S	*	.	H	α-helix	trans	-77.4	-32.7	178.5	-166	-93.4	0	0	0	112.8	L26 C83 A84	L26-Y87 HydrophobicContact CD2-CD1 3.97Å; L26-Y87 HydrophobicContact CD2-CD2 4.37Å; L26-Y87 HydrophobicContact CD2-CG 3.88Å; C83-Y87 WeakPolarHBondContact O-CB 3.49Å; C83-Y87 PolarHBondContact O-N 2.87Å; A84-Y87 PolarHBondContact O-N 3.16Å
88	N	34.9	Very low	38.6	Very low	77 Å²	77	78.6 Å²	78.6	41%	0.412	43%	0.426	S	S	.	.			trans	-136.1	93.4	177.4	-172.2	-3.2	0	0	0	110.9	A84 R85 A90 L91	A84-N88 PolarHBondContact O-N 3.18Å; R85-N88 CarbonylContact O-C 3.54Å; N88-A90 PolarHBondContact O-N 3.28Å; N88-A90 VanDerWaalsContact OD1-CB 3.31Å; N88-A90 WeakPolarHBondContact OD1-CB 3.47Å; N88-A90 PolarHBondContact OD1-N 3.33Å; N88-L91 HydrophobicContact CB-CD1 4.09Å; N88-L91 HydrophobicContact CB-CG 4.46Å; N88-L91 WeakPolarHBondContact O-CB 3.48Å; N88-L91 PolarHBondContact O-N 3.26Å
89	P	38.4	Very low	37.6	Very low	108 Å²	108	80.2 Å²	80.2	70%	0.701	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-61.5	-16	-178.4	19.8	-29.2	0	0	0	113.7	R85 L91 G92	R85-P89 WeakPolarHBondContact O-CA 3.09Å; P89-L91 PolarHBondContact O-N 3.08Å; P89-G92 PolarHBondContact O-N 3.08Å; P89-G92 VanDerWaalsContact O-N 3.15Å
90	A	38.7	Very low	36.6	Very low	74 Å²	74	83.9 Å²	83.9	61%	0.612	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-70	-14.9	174.4	0	0	0	0	0	113.8	N88 G92	N88-A90 PolarHBondContact O-N 3.28Å; N88-A90 VanDerWaalsContact OD1-CB 3.31Å; N88-A90 WeakPolarHBondContact OD1-CB 3.47Å; N88-A90 PolarHBondContact OD1-N 3.33Å; A90-G92 PolarHBondContact O-N 2.85Å
91	L	39	Very low	35.7	Very low	57 Å²	57	84.4 Å²	84.4	30%	0.298	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-70.2	-9.4	169.8	-78	164.7	0	0	0	113.1	A84 N88 P89 N93 H94	A84-L91 HydrophobicContact CB-CD1 3.85Å; N88-L91 HydrophobicContact CB-CD1 4.09Å; N88-L91 HydrophobicContact CB-CG 4.46Å; N88-L91 WeakPolarHBondContact O-CB 3.48Å; N88-L91 PolarHBondContact O-N 3.26Å; P89-L91 PolarHBondContact O-N 3.08Å; L91-N93 PolarHBondContact O-N 2.92Å; L91-N93 VanDerWaalsContact O-N 3.1Å; L91-H94 HydrophobicContact CD2-CB 4.49Å; L91-H94 PolarHBondContact O-N 3.39Å
92	G	34.9	Very low	34.7	Very low	24 Å²	24	86.1 Å²	86.1	25%	0.247	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-64.7	-5.3	174.5	0	0	0	0	0	115.4	P89 A90 Q97	P89-G92 PolarHBondContact O-N 3.08Å; P89-G92 VanDerWaalsContact O-N 3.15Å; A90-G92 PolarHBondContact O-N 2.85Å; G92-Q97 PolarHBondContact O-NE2 2.91Å; G92-Q97 PolarHBondContact O-OE1 3.4Å
93	N	38.4	Very low	34	Very low	149 Å²	149	89.7 Å²	89.7	80%	0.797	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-120.3	16.4	176.7	-71.6	-18.3	0	0	0	113.1	L91	L91-N93 PolarHBondContact O-N 2.92Å; L91-N93 VanDerWaalsContact O-N 3.1Å
94	H	30.6	Very low	33.5	Very low	81 Å²	81	95.4 Å²	95.4	38%	0.375	52%	0.518	S	S	.	.			trans	-71.5	131.8	-178.1	-157.8	-91.8	0	0	0	110.8	L91 D96 Q97	L91-H94 HydrophobicContact CD2-CB 4.49Å; L91-H94 PolarHBondContact O-N 3.39Å; H94-D96 IonicContact CE1-OD1 3.19Å; H94-D96 PolarHBondContact CE1-OD1 2.56Å; H94-D96 IonicContact CE1-OD2 3.02Å; H94-D96 PolarHBondContact CE1-OD2 2.98Å; H94-D96 IonicContact ND1-OD1 3.09Å; H94-D96 PolarHBondContact ND1-OD1 3.41Å; H94-D96 VanDerWaalsContact ND1-OD1 3.09Å; H94-D96 IonicContact ND1-OD2 3.34Å; H94-D96 PolarHBondContact ND1-OD2 3.34Å; H94-D96 PolarHBondContact O-N 3.48Å; H94-Q97 WeakPolarHBondContact O-CB 3.27Å; H94-Q97 WeakPolarHBondContact O-CG 3.4Å; H94-Q97 PolarHBondContact O-N 3.13Å
95	P	32.3	Very low	32.9	Very low	102 Å²	102	98.7 Å²	98.7	66%	0.662	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.2	-175.7	19.5	-30.5	0	0	0	114.7	Q97 N98	P95-Q97 PolarHBondContact O-N 3.28Å; P95-Q97 VanDerWaalsContact O-N 3.14Å; P95-N98 PolarHBondContact O-N 2.79Å; P95-N98 VanDerWaalsContact O-N 3.07Å
96	D	35.2	Very low	32.2	Very low	75 Å²	75	101 Å²	101	40%	0.401	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.6	-12	172.4	-51.4	1.9	0	0	0	112.8	H94 N98 E99 F100	H94-D96 IonicContact CE1-OD1 3.19Å; H94-D96 PolarHBondContact CE1-OD1 2.56Å; H94-D96 IonicContact CE1-OD2 3.02Å; H94-D96 PolarHBondContact CE1-OD2 2.98Å; H94-D96 IonicContact ND1-OD1 3.09Å; H94-D96 PolarHBondContact ND1-OD1 3.41Å; H94-D96 VanDerWaalsContact ND1-OD1 3.09Å; H94-D96 IonicContact ND1-OD2 3.34Å; H94-D96 PolarHBondContact ND1-OD2 3.34Å; H94-D96 PolarHBondContact O-N 3.48Å; D96-N98 PolarHBondContact O-N 3.48Å; D96-E99 PolarHBondContact O-N 3.28Å; D96-E99 VanDerWaalsContact O-N 3.09Å; D96-F100 WeakPolarHBondContact O-CD2 3.24Å; D96-F100 PolarHBondContact O-N 3.05Å
97	Q	30	Very low	31.7	Very low	67 Å²	67	101.2 Å²	101.2	31%	0.313	55%	0.552	S	S	.	*	H	α-helix	trans	-57	-34.5	167.9	-77.2	-171.2	-19	0	0	112.2	Y81 G92 H94 P95 E99 I101	Y81-Q97 PolarHBondContact OH-NE2 2.96Å; G92-Q97 PolarHBondContact O-NE2 2.91Å; G92-Q97 PolarHBondContact O-OE1 3.4Å; H94-Q97 WeakPolarHBondContact O-CB 3.27Å; H94-Q97 WeakPolarHBondContact O-CG 3.4Å; H94-Q97 PolarHBondContact O-N 3.13Å; P95-Q97 PolarHBondContact O-N 3.28Å; P95-Q97 VanDerWaalsContact O-N 3.14Å; Q97-E99 VanDerWaalsContact C-N 3.34Å; Q97-I101 VanDerWaalsContact O-CB 3.31Å; Q97-I101 WeakPolarHBondContact O-CB 3.46Å; Q97-I101 WeakPolarHBondContact O-CD1 3.42Å; Q97-I101 WeakPolarHBondContact O-CG1 3.45Å; Q97-I101 PolarHBondContact O-N 3.47Å; Q97-I101 VanDerWaalsContact O-N 3.12Å
98	N	27.9	Very low	31.1	Very low	106 Å²	106	96.7 Å²	96.7	57%	0.567	56%	0.557	S	S	*	*	H	α-helix	trans	-77.6	-19.8	177.5	-88.9	10.5	0	0	0	112.8	P95 D96 N102	P95-N98 PolarHBondContact O-N 2.79Å; P95-N98 VanDerWaalsContact O-N 3.07Å; D96-N98 PolarHBondContact O-N 3.48Å; N98-N102 WeakPolarHBondContact CB-ND2 3.38Å; N98-N102 WeakPolarHBondContact O-CB 3.33Å; N98-N102 VanDerWaalsContact O-CG 3.22Å; N98-N102 PolarHBondContact O-N 3.1Å; N98-N102 VanDerWaalsContact O-N 3.08Å; N98-N102 PolarHBondContact O-ND2 3.1Å
99	E	29.9	Very low	30.6	Very low	144 Å²	144	99.6 Å²	99.6	67%	0.673	57%	0.571	S	S	*	*	H	α-helix	trans	-83.5	-27	176.5	-146.9	173.5	-152.2	0	0	111.2	D96 Q97	D96-E99 PolarHBondContact O-N 3.28Å; D96-E99 VanDerWaalsContact O-N 3.09Å; Q97-E99 VanDerWaalsContact C-N 3.34Å
100	F	27.3	Very low	29.9	Very low	97 Å²	97	100.4 Å²	100.4	43%	0.425	57%	0.569	S	S	.	*	H	α-helix	trans	-84.3	-23.6	173	-85.1	-93	0	0	0	114.5	K77 D96	K77-F100 HydrophobicContact CD-CE1 3.8Å; K77-F100 HydrophobicContact CD-CZ 3.6Å; K77-F100 HydrophobicContact CG-CE1 4.33Å; K77-F100 HydrophobicContact CG-CZ 3.97Å; D96-F100 WeakPolarHBondContact O-CD2 3.24Å; D96-F100 PolarHBondContact O-N 3.05Å
101	I	27.9	Very low	29.3	Very low	101 Å²	101	102.5 Å²	102.5	52%	0.518	58%	0.578	S	S	.	*	H	α-helix	trans	-98.4	-22.9	-179.1	-62.9	169.4	0	0	0	111.7	Q97	Q97-I101 VanDerWaalsContact O-CB 3.31Å; Q97-I101 WeakPolarHBondContact O-CB 3.46Å; Q97-I101 WeakPolarHBondContact O-CD1 3.42Å; Q97-I101 WeakPolarHBondContact O-CG1 3.45Å; Q97-I101 PolarHBondContact O-N 3.47Å; Q97-I101 VanDerWaalsContact O-N 3.12Å
102	N	27.4	Very low	28.7	Very low	98 Å²	98	103.8 Å²	103.8	52%	0.524	59%	0.589	S	S	.	*	S	Bend	trans	-99.4	-3.7	-179	-62.1	-47.4	0	0	0	115.3	N98 D104 S105	N98-N102 WeakPolarHBondContact CB-ND2 3.38Å; N98-N102 WeakPolarHBondContact O-CB 3.33Å; N98-N102 VanDerWaalsContact O-CG 3.22Å; N98-N102 PolarHBondContact O-N 3.1Å; N98-N102 VanDerWaalsContact O-N 3.08Å; N98-N102 PolarHBondContact O-ND2 3.1Å; N102-D104 PolarHBondContact O-N 2.91Å; N102-S105 PolarHBondContact O-OG 3.44Å
103	D	30.1	Very low	28.2	Very low	117 Å²	117	105.7 Å²	105.7	63%	0.626	60%	0.599	S	S	*	*			trans	-76.6	5.5	168.4	-119.6	1.9	0	0	0	112.7	S105	D103-S105 PolarHBondContact O-N 3.23Å
104	D	30.7	Very low	27.8	Very low	134 Å²	134	104.8 Å²	104.8	72%	0.717	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	6.2	172.2	-89.9	-11.5	0	0	0	114.2	N102	N102-D104 PolarHBondContact O-N 2.91Å
105	S	27.8	Very low	27.6	Very low	98 Å²	98	109.6 Å²	109.6	69%	0.685	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	-5.8	-173	55.2	0	0	0	0	116.6	N102 D103	N102-S105 PolarHBondContact O-OG 3.44Å; D103-S105 PolarHBondContact O-N 3.23Å
106	D	26.3	Very low	27.3	Very low	162 Å²	162	110.6 Å²	110.6	87%	0.866	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.9	10.7	170.3	-101.8	-32.5	0	0	0	114.7
107	V	24.8	Very low	27	Very low	87 Å²	87	114 Å²	114	53%	0.527	62%	0.623	S	S	.	*			trans	-118.2	84.2	163.9	-166	0	0	0	0	108.5	L109	V107-L109 HydrophobicContact CG1-CB 4.15Å; V107-L109 HydrophobicContact CG1-CD1 4.09Å; V107-L109 HydrophobicContact CG1-CG 4.38Å; V107-L109 PolarHBondContact O-N 3.38Å
108	G	21.9	Very low	26.7	Very low	72 Å²	72	117.1 Å²	117.1	74%	0.742	65%	0.646	S	S	*	*			trans	-67.1	56.2	170.4	0	0	0	0	0	113.2
109	L	24.3	Very low	26.8	Very low	138 Å²	138	118.7 Å²	118.7	72%	0.723	65%	0.654	S	S	*	*			trans	-130.5	75.1	171.6	-68.2	164.6	0	0	0	105.5	V107 C111	V107-L109 HydrophobicContact CG1-CB 4.15Å; V107-L109 HydrophobicContact CG1-CD1 4.09Å; V107-L109 HydrophobicContact CG1-CG 4.38Å; V107-L109 PolarHBondContact O-N 3.38Å; L109-C111 PolarHBondContact O-N 2.99Å
110	I	23.6	Very low	26.5	Very low	125 Å²	125	115 Å²	115	64%	0.641	66%	0.655	S	S	*	*				33.5	94	101.3	-54.5	176.4	0	0	0	107.2	P112	I110-P112 VanDerWaalsContact C-N 3.26Å; I110-P112 WeakPolarHBondContact O-CD 3.11Å
111	C	25.7	Very low	26.6	Very low	119 Å²	119	118.5 Å²	118.5	80%	0.804	68%	0.678	S	S	*	*			trans	-44.1	112.2	144.3	-77.3	0	0	0	0	102.9	L109 S113	L109-C111 PolarHBondContact O-N 2.99Å; C111-S113 PolarHBondContact O-N 3.45Å
112	P	25.7	Very low	26.6	Very low	83 Å²	83	120.3 Å²	120.3	54%	0.539	68%	0.684	S	S	.	*			trans	-57.3	109	171.3	-14.5	28.5	0	0	0	101.3	I110 M114	I110-P112 VanDerWaalsContact C-N 3.26Å; I110-P112 WeakPolarHBondContact O-CD 3.11Å; P112-M114 PolarHBondContact O-N 3.15Å
113	S	25.6	Very low	26.7	Very low	64 Å²	64	121.1 Å²	121.1	45%	0.448	69%	0.694	S	S	.	*			trans	-49.9	125.5	156.7	76.3	0	0	0	0	101.4	C111 K115 D116	C111-S113 PolarHBondContact O-N 3.45Å; S113-K115 WeakPolarHBondContact O-CA 3.42Å; S113-K115 PolarHBondContact O-N 3.19Å; S113-K115 WeakPolarHBondContact OG-CB 3.44Å; S113-D116 PolarHBondContact O-N 2.93Å
114	M	28.6	Very low	26.9	Very low	131 Å²	131	120.8 Å²	120.8	65%	0.645	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-57.6	3.4	-176.8	-67.2	-158.5	-65	0	0	112.6	P112 D116 F117	P112-M114 PolarHBondContact O-N 3.15Å; M114-D116 PolarHBondContact O-N 3.31Å; M114-F117 PolarHBondContact O-N 3.44Å; M114-F117 VanDerWaalsContact O-N 3.12Å
115	K	26.1	Very low	26.9	Very low	181 Å²	181	123.1 Å²	123.1	79%	0.787	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-52.8	-25.1	159.4	-64.9	-176.5	165.1	178.5	0	114.7	S113	S113-K115 WeakPolarHBondContact O-CA 3.42Å; S113-K115 PolarHBondContact O-N 3.19Å; S113-K115 WeakPolarHBondContact OG-CB 3.44Å
116	D	27.4	Very low	27	Very low	123 Å²	123	126.2 Å²	126.2	66%	0.658	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-96.2	-5.3	175	-67	-31.9	0	0	0	113.5	S113 M114 T118	S113-D116 PolarHBondContact O-N 2.93Å; M114-D116 PolarHBondContact O-N 3.31Å; D116-T118 VanDerWaalsContact C-N 3.32Å; D116-T118 PolarHBondContact O-N 3.17Å
117	F	27.5	Very low	27.2	Very low	148 Å²	148	126.6 Å²	126.6	65%	0.649	71%	0.705	S	S	*	*	S	Bend	trans	-86.2	81.4	161.2	-118.8	-94.2	0	0	0	107.1	M114 L119	M114-F117 PolarHBondContact O-N 3.44Å; M114-F117 VanDerWaalsContact O-N 3.12Å; F117-L119 PolarHBondContact O-N 3.46Å
118	T	25.4	Very low	27.4	Very low	131 Å²	131	131.2 Å²	131.2	80%	0.804	72%	0.718	S	S	*	*			trans	-64.8	83.8	171.6	47.6	0	0	0	0	109.5	D116 G120	D116-T118 VanDerWaalsContact C-N 3.32Å; D116-T118 PolarHBondContact O-N 3.17Å; T118-G120 PolarHBondContact O-N 3.31Å
119	L	28.5	Very low	27.7	Very low	140 Å²	140	134.4 Å²	134.4	73%	0.733	72%	0.717	S	S	*	*			trans	-66.7	106	159.9	-74.6	164.4	0	0	0	106	F117 N121	F117-L119 PolarHBondContact O-N 3.46Å; L119-N121 PolarHBondContact O-N 3.04Å
120	G	25	Very low	27.7	Very low	67 Å²	67	135 Å²	135	69%	0.691	72%	0.72	S	S	*	*			trans	-52.3	125.4	178.8	0	0	0	0	0	110.9	T118 H122	T118-G120 PolarHBondContact O-N 3.31Å; G120-H122 PolarHBondContact O-N 3.4Å
121	N	29.5	Very low	27.8	Very low	170 Å²	170	136.4 Å²	136.4	91%	0.909	73%	0.729	S	S	*	*			trans	16.4	84.9	162.1	-62.5	-15.8	0	0	0	116.1	L119	L119-N121 PolarHBondContact O-N 3.04Å
122	H	27.5	Very low	28	Very low	139 Å²	139	136.8 Å²	136.8	64%	0.644	72%	0.723	S	S	*	*			trans	-118.3	123.4	162.1	-151.1	-80.3	0	0	0	110.7	G120 D124	G120-H122 PolarHBondContact O-N 3.4Å; H122-D124 VanDerWaalsContact C-N 3.3Å; H122-D124 IonicContact CE1-OD2 3.13Å; H122-D124 PolarHBondContact CE1-OD2 3.49Å; H122-D124 IonicContact ND1-OD2 3.71Å; H122-D124 PolarHBondContact ND1-OD2 3.45Å; H122-D124 PolarHBondContact O-N 3.1Å
123	P	28.1	Very low	28	Very low	115 Å²	115	137.7 Å²	137.7	75%	0.747	73%	0.731	S	S	*	*	S	Bend	trans	-78.9	11.7	-167.3	29.1	-34.1	0	0	0	117
124	D	34.2	Very low	28.2	Very low	110 Å²	110	142.4 Å²	142.4	59%	0.588	75%	0.752	S	S	*	*			trans	-111.4	28.3	-164.9	-58.4	-22.7	0	0	0	114.8	H122 N126	H122-D124 VanDerWaalsContact C-N 3.3Å; H122-D124 IonicContact CE1-OD2 3.13Å; H122-D124 PolarHBondContact CE1-OD2 3.49Å; H122-D124 IonicContact ND1-OD2 3.71Å; H122-D124 PolarHBondContact ND1-OD2 3.45Å; H122-D124 PolarHBondContact O-N 3.1Å; D124-N126 PolarHBondContact O-N 2.96Å
125	Q	31.5	Very low	28.2	Very low	182 Å²	182	140.8 Å²	140.8	85%	0.85	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	15.9	-175.8	-68.6	-152.9	-33.3	0	0	116
126	N	30.3	Very low	28.1	Very low	164 Å²	164	135.7 Å²	135.7	88%	0.877	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.6	9.4	-167.2	-115.6	33.3	0	0	0	116.8	D124	D124-N126 PolarHBondContact O-N 2.96Å
127	E	30.1	Very low	27.9	Very low	170 Å²	170	138.2 Å²	138.2	79%	0.794	76%	0.76	S	S	*	*	S	Bend	trans	-124.9	4.9	-165.9	-131.8	174.7	-163.1	0	0	117.8
128	F	28	Very low	27.9	Very low	184 Å²	184	135.6 Å²	135.6	81%	0.807	75%	0.751	S	S	*	*			trans	-111.4	28.8	-176	-80.1	-85.2	0	0	0	115.3
129	I	28.2	Very low	28	Very low	139 Å²	139	132.6 Å²	132.6	71%	0.713	74%	0.735	S	S	*	*	S	Bend	trans	-97.9	122.4	163.5	-50.2	178.4	0	0	0	105.5
130	N	25.4	Very low	28.2	Very low	150 Å²	150	131 Å²	131	80%	0.802	73%	0.732	S	S	*	*	S	Bend	trans	90.2	81.7	174.8	-40.2	-47.1	0	0	0	115.5
131	D	25.1	Very low	28.8	Very low	155 Å²	155	131.9 Å²	131.9	83%	0.829	73%	0.729	S	S	*	*				-176.8	163.5	119.9	-130.1	-25	0	0	0	110.8
132	D	29.7	Very low	29.3	Very low	127 Å²	127	126 Å²	126	68%	0.679	70%	0.696	S	S	*	*			trans	83.9	68.5	174.1	-61.4	-17.5	0	0	0	116.4
133	S	27.2	Very low	30	Very low	101 Å²	101	124.8 Å²	124.8	71%	0.706	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn		-26.2	133.6	130	47.2	0	0	0	0	112.8
134	D	28.4	Very low	30.9	Very low	163 Å²	163	123 Å²	123	87%	0.872	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	103.2	9.8	175.1	-61.1	-22.3	0	0	0	118.7
135	V	28.3	Very low	31.4	Very low	98 Å²	98	120.8 Å²	120.8	59%	0.594	66%	0.658	S	S	*	*			trans	-111	63.2	160.4	-163.9	0	0	0	0	110.3	L137 M138	V135-L137 PolarHBondContact O-N 3.01Å; V135-L137 VanDerWaalsContact O-N 3.15Å; V135-M138 HydrophobicContact CG1-CB 4.36Å; V135-M138 HydrophobicContact CG1-CG 3.92Å; V135-M138 HydrophobicContact CG1-SD 3.81Å
136	G	24.2	Very low	32	Very low	73 Å²	73	113.8 Å²	113.8	75%	0.753	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	113.5	176.6	0	0	0	0	0	111.5
137	L	24.8	Very low	32.9	Very low	176 Å²	176	110 Å²	110	92%	0.921	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	88.7	30.6	166	-53.7	164	0	0	0	118.8	V135 C139	V135-L137 PolarHBondContact O-N 3.01Å; V135-L137 VanDerWaalsContact O-N 3.15Å; L137-C139 PolarHBondContact O-N 3.27Å
138	M	27	Very low	33.7	Very low	93 Å²	93	106 Å²	106	46%	0.458	59%	0.59	S	S	.	*			trans	-76.8	114.9	158.8	-82.8	-172.9	149.9	0	0	110.4	V135 M142 I146	V135-M138 HydrophobicContact CG1-CB 4.36Å; V135-M138 HydrophobicContact CG1-CG 3.92Å; V135-M138 HydrophobicContact CG1-SD 3.81Å; M138-M142 HydrophobicContact CE-CG 4.42Å; M138-I146 HydrophobicContact CE-CD1 3.45Å; M138-I146 VanDerWaalsContact CE-CD1 3.45Å; M138-I146 HydrophobicContact SD-CD1 4.23Å
139	C	28	Very low	34.4	Very low	68 Å²	68	98 Å²	98	46%	0.459	56%	0.557	S	S	.	*			trans	-53.3	140.3	171.5	-70.4	0	0	0	0	110.1	L137 S141 M142 K143	L137-C139 PolarHBondContact O-N 3.27Å; C139-S141 PolarHBondContact O-N 2.82Å; C139-M142 WeakPolarHBondContact O-CA 3.38Å; C139-M142 WeakPolarHBondContact O-CB 3.18Å; C139-M142 PolarHBondContact O-N 3.4Å; C139-K143 PolarHBondContact O-N 3.42Å
140	P	32.2	Very low	35.1	Very low	106 Å²	106	95 Å²	95	69%	0.688	54%	0.542	S	S	*	.	H	α-helix	trans	-48.8	-36.9	177.9	-29.3	35	0	0	0	113.3	M142 K143 D144	P140-M142 VanDerWaalsContact C-N 3.34Å; P140-M142 PolarHBondContact O-N 3.12Å; P140-K143 PolarHBondContact O-N 3.15Å; P140-D144 PolarHBondContact O-N 3.34Å; P140-D144 VanDerWaalsContact O-N 3.14Å
141	S	37.2	Very low	35.9	Very low	87 Å²	87	95.3 Å²	95.3	61%	0.608	53%	0.533	S	S	*	.	H	α-helix	trans	-65	-29.1	175.7	54.1	0	0	0	0	114.9	C139 F145	C139-S141 PolarHBondContact O-N 2.82Å; S141-F145 WeakPolarHBondContact O-CB 3.5Å; S141-F145 PolarHBondContact O-N 3.01Å
142	M	39.5	Very low	36.5	Very low	47 Å²	47	91.5 Å²	91.5	23%	0.232	51%	0.512	C	S	.	.	H	α-helix	trans	-77.1	-39.3	177.4	-167	69.8	76.7	0	0	111.4	F79 M138 C139 P140 D144 F145 I146	F79-M142 HydrophobicContact CD2-CE 4.02Å; F79-M142 HydrophobicContact CE2-CE 3.68Å; M138-M142 HydrophobicContact CE-CG 4.42Å; C139-M142 WeakPolarHBondContact O-CA 3.38Å; C139-M142 WeakPolarHBondContact O-CB 3.18Å; C139-M142 PolarHBondContact O-N 3.4Å; P140-M142 VanDerWaalsContact C-N 3.34Å; P140-M142 PolarHBondContact O-N 3.12Å; M142-D144 VanDerWaalsContact C-N 3.31Å; M142-F145 PolarHBondContact O-N 3.01Å; M142-F145 HydrophobicContact SD-CD1 4.49Å; M142-I146 HydrophobicContact CG-CD1 4.13Å; M142-I146 WeakPolarHBondContact O-CB 3.31Å; M142-I146 VanDerWaalsContact O-CG1 3.27Å; M142-I146 WeakPolarHBondContact O-CG1 3.45Å; M142-I146 PolarHBondContact O-N 2.89Å
143	K	42.3	Very low	36.6	Very low	113 Å²	113	86.4 Å²	86.4	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-61.4	-44.3	174.4	-173.9	173.5	-179.8	175.7	0	110.3	C139 P140 I146 N147	C139-K143 PolarHBondContact O-N 3.42Å; P140-K143 PolarHBondContact O-N 3.15Å; K143-I146 PolarHBondContact O-N 3.43Å; K143-N147 WeakPolarHBondContact O-CB 3.42Å; K143-N147 PolarHBondContact O-N 3.38Å; K143-N147 PolarHBondContact O-ND2 3.19Å
144	D	47.6	Very low	36.8	Very low	77 Å²	77	85.6 Å²	85.6	41%	0.412	49%	0.485	S	S	.	.	H	α-helix	trans	-66.6	-40.2	177	-68	-19.9	0	0	0	112.3	P140 M142 N147 N148	P140-D144 PolarHBondContact O-N 3.34Å; P140-D144 VanDerWaalsContact O-N 3.14Å; M142-D144 VanDerWaalsContact C-N 3.31Å; D144-N147 PolarHBondContact O-N 2.95Å; D144-N148 WeakPolarHBondContact O-CB 3.33Å; D144-N148 PolarHBondContact O-N 3.2Å
145	F	43.8	Very low	36.8	Very low	64 Å²	64	81.4 Å²	81.4	28%	0.281	47%	0.468	S	S	.	.	H	α-helix	trans	-59.3	-48.2	173.2	175.3	-98.6	0	0	0	112	F75 S141 M142 N147 N148 V149	F75-F145 HydrophobicContact CE2-CD2 4.34Å; F75-F145 HydrophobicContact CE2-CE2 4.46Å; F75-F145 HydrophobicContact CZ-CE1 4.43Å; F75-F145 HydrophobicContact CZ-CE2 4.3Å; F75-F145 HydrophobicContact CZ-CZ 4.26Å; S141-F145 WeakPolarHBondContact O-CB 3.5Å; S141-F145 PolarHBondContact O-N 3.01Å; M142-F145 PolarHBondContact O-N 3.01Å; M142-F145 HydrophobicContact SD-CD1 4.49Å; F145-N147 VanDerWaalsContact C-N 3.32Å; F145-N147 PolarHBondContact O-N 2.63Å; F145-N148 PolarHBondContact O-N 3.4Å; F145-N148 VanDerWaalsContact O-N 3.16Å; F145-V149 HydrophobicContact CD1-CG2 4.27Å; F145-V149 HydrophobicContact CD2-CG2 4.39Å; F145-V149 HydrophobicContact CE1-CG2 3.85Å; F145-V149 HydrophobicContact CE2-CG2 3.99Å; F145-V149 HydrophobicContact CZ-CG2 3.7Å; F145-V149 WeakPolarHBondContact O-CG2 3.21Å; F145-V149 PolarHBondContact O-N 3.08Å
146	I	44.6	Very low	36.8	Very low	35 Å²	35	81.2 Å²	81.2	18%	0.179	48%	0.477	C	S	.	.	H	α-helix	trans	-62.8	-41.6	178.6	-69.5	167.9	0	0	0	110.6	F33 M138 M142 K143 N148 V149 N150	F33-I146 HydrophobicContact CE2-CD1 4.21Å; F33-I146 HydrophobicContact CZ-CD1 4.02Å; F33-I146 HydrophobicContact CZ-CG1 4.1Å; M138-I146 HydrophobicContact CE-CD1 3.45Å; M138-I146 VanDerWaalsContact CE-CD1 3.45Å; M138-I146 HydrophobicContact SD-CD1 4.23Å; M142-I146 HydrophobicContact CG-CD1 4.13Å; M142-I146 WeakPolarHBondContact O-CB 3.31Å; M142-I146 VanDerWaalsContact O-CG1 3.27Å; M142-I146 WeakPolarHBondContact O-CG1 3.45Å; M142-I146 PolarHBondContact O-N 2.89Å; K143-I146 PolarHBondContact O-N 3.43Å; I146-N148 VanDerWaalsContact C-N 3.31Å; I146-N148 PolarHBondContact O-N 2.83Å; I146-V149 PolarHBondContact O-N 2.87Å; I146-N150 WeakPolarHBondContact CG2-ND2 3.37Å; I146-N150 VanDerWaalsContact O-CB 3.27Å; I146-N150 WeakPolarHBondContact O-CB 3.44Å; I146-N150 PolarHBondContact O-N 3.34Å; I146-N150 PolarHBondContact O-ND2 3.39Å
147	N	48.5	Very low	37.4	Very low	85 Å²	85	81.6 Å²	81.6	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-61.3	-41.5	175.1	-72.8	-19.9	0	0	0	111.6	K143 D144 F145 N150 Y151	K143-N147 WeakPolarHBondContact O-CB 3.42Å; K143-N147 PolarHBondContact O-N 3.38Å; K143-N147 PolarHBondContact O-ND2 3.19Å; D144-N147 PolarHBondContact O-N 2.95Å; F145-N147 VanDerWaalsContact C-N 3.32Å; F145-N147 PolarHBondContact O-N 2.63Å; N147-N150 PolarHBondContact O-N 3.31Å; N147-Y151 VanDerWaalsContact O-CB 3.3Å; N147-Y151 WeakPolarHBondContact O-CB 3.32Å; N147-Y151 PolarHBondContact O-N 3.14Å
148	N	47.4	Very low	38.1	Very low	86 Å²	86	76.6 Å²	76.6	46%	0.46	44%	0.439	S	S	.	.	H	α-helix	trans	-69.2	-42.1	179.4	-129	-1.2	0	0	0	112	D144 F145 I146 Y151 I152	D144-N148 WeakPolarHBondContact O-CB 3.33Å; D144-N148 PolarHBondContact O-N 3.2Å; F145-N148 PolarHBondContact O-N 3.4Å; F145-N148 VanDerWaalsContact O-N 3.16Å; I146-N148 VanDerWaalsContact C-N 3.31Å; I146-N148 PolarHBondContact O-N 2.83Å; N148-Y151 PolarHBondContact O-N 2.96Å; N148-I152 WeakPolarHBondContact O-CB 3.45Å; N148-I152 WeakPolarHBondContact O-CD1 3.48Å; N148-I152 VanDerWaalsContact O-CG1 3.23Å; N148-I152 WeakPolarHBondContact O-CG1 3.08Å; N148-I152 PolarHBondContact O-N 3.1Å
149	V	43.7	Very low	38.7	Very low	16 Å²	16	75.7 Å²	75.7	10%	0.097	44%	0.438	C	S	.	.	H	α-helix	trans	-63.4	-46.3	174.5	173.4	0	0	0	0	110.5	L37 F145 I146 Y151 I152 C153	L37-V149 HydrophobicContact CD1-CG1 4.17Å; F145-V149 HydrophobicContact CD1-CG2 4.27Å; F145-V149 HydrophobicContact CD2-CG2 4.39Å; F145-V149 HydrophobicContact CE1-CG2 3.85Å; F145-V149 HydrophobicContact CE2-CG2 3.99Å; F145-V149 HydrophobicContact CZ-CG2 3.7Å; F145-V149 WeakPolarHBondContact O-CG2 3.21Å; F145-V149 PolarHBondContact O-N 3.08Å; I146-V149 PolarHBondContact O-N 2.87Å; V149-Y151 VanDerWaalsContact C-N 3.31Å; V149-Y151 PolarHBondContact O-N 3Å; V149-I152 PolarHBondContact O-N 2.94Å; V149-C153 WeakPolarHBondContact O-CB 3.39Å; V149-C153 PolarHBondContact O-N 3.19Å; V149-C153 PolarHBondContact O-SG 3.09Å
150	N	41.5	Very low	39.3	Very low	76 Å²	76	76.2 Å²	76.2	41%	0.406	44%	0.437	S	S	.	.	H	α-helix	trans	-60.5	-41	176	-75.5	-28.9	0	0	0	111.8	I146 N147 C153 A154	I146-N150 WeakPolarHBondContact CG2-ND2 3.37Å; I146-N150 VanDerWaalsContact O-CB 3.27Å; I146-N150 WeakPolarHBondContact O-CB 3.44Å; I146-N150 PolarHBondContact O-N 3.34Å; I146-N150 PolarHBondContact O-ND2 3.39Å; N147-N150 PolarHBondContact O-N 3.31Å; N150-C153 PolarHBondContact O-N 3.07Å; N150-A154 WeakPolarHBondContact O-CB 3.39Å; N150-A154 PolarHBondContact O-N 3.02Å
151	Y	42.2	Very low	39.8	Very low	156 Å²	156	74.3 Å²	74.3	61%	0.612	42%	0.421	S	S	*	.	H	α-helix	trans	-63.9	-48.4	176.3	-179	-97.1	0	0	0	111.4	N147 N148 V149 C153 A154 S155	N147-Y151 VanDerWaalsContact O-CB 3.3Å; N147-Y151 WeakPolarHBondContact O-CB 3.32Å; N147-Y151 PolarHBondContact O-N 3.14Å; N148-Y151 PolarHBondContact O-N 2.96Å; V149-Y151 VanDerWaalsContact C-N 3.31Å; V149-Y151 PolarHBondContact O-N 3Å; Y151-C153 VanDerWaalsContact C-N 3.3Å; Y151-C153 PolarHBondContact O-N 3.21Å; Y151-A154 PolarHBondContact O-N 3.31Å; Y151-A154 VanDerWaalsContact O-N 3.17Å; Y151-S155 WeakPolarHBondContact O-CB 3.43Å; Y151-S155 PolarHBondContact O-N 3.23Å; Y151-S155 PolarHBondContact O-OG 3.19Å
152	I	37.5	Very low	40	Very low	75 Å²	75	73.5 Å²	73.5	39%	0.385	41%	0.409	S	S	.	.	H	α-helix	trans	-61.5	-38.9	177.9	-68.5	165.1	0	0	0	111.2	N148 V149 A156	N148-I152 WeakPolarHBondContact O-CB 3.45Å; N148-I152 WeakPolarHBondContact O-CD1 3.48Å; N148-I152 VanDerWaalsContact O-CG1 3.23Å; N148-I152 WeakPolarHBondContact O-CG1 3.08Å; N148-I152 PolarHBondContact O-N 3.1Å; V149-I152 PolarHBondContact O-N 2.94Å; I152-A156 PolarHBondContact O-N 3.09Å
153	C	33	Very low	40	Very low	20 Å²	20	75.4 Å²	75.4	14%	0.135	42%	0.421	C	S	.	.	H	α-helix	trans	-74.4	-26.4	176.6	-68.3	0	0	0	0	113.6	V149 N150 Y151	V149-C153 WeakPolarHBondContact O-CB 3.39Å; V149-C153 PolarHBondContact O-N 3.19Å; V149-C153 PolarHBondContact O-SG 3.09Å; N150-C153 PolarHBondContact O-N 3.07Å; Y151-C153 VanDerWaalsContact C-N 3.3Å; Y151-C153 PolarHBondContact O-N 3.21Å
154	A	30.1	Very low	39.8	Very low	83 Å²	83	72.5 Å²	72.5	69%	0.686	42%	0.416	S	S	*	.	H	α-helix	trans	-88.8	-18	177.9	0	0	0	0	0	113.8	N150 Y151	N150-A154 WeakPolarHBondContact O-CB 3.39Å; N150-A154 PolarHBondContact O-N 3.02Å; Y151-A154 PolarHBondContact O-N 3.31Å; Y151-A154 VanDerWaalsContact O-N 3.17Å
155	S	29.4	Very low	39.2	Very low	75 Å²	75	72.1 Å²	72.1	52%	0.524	42%	0.416	S	S	.	.			trans	-103.1	6.3	-179.4	54.7	0	0	0	0	114	Y151	Y151-S155 WeakPolarHBondContact O-CB 3.43Å; Y151-S155 PolarHBondContact O-N 3.23Å; Y151-S155 PolarHBondContact O-OG 3.19Å
156	A	28.1	Very low	38.7	Very low	94 Å²	94	72.8 Å²	72.8	78%	0.777	43%	0.429	S	S	*	.			trans	-105.3	0	170.6	0	0	0	0	0	111.1	H7 I152	H7-A156 WeakPolarHBondContact NE2-CB 3.31Å; I152-A156 PolarHBondContact O-N 3.09Å

Retrieved 156 of 156 residues in 29 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).