A0A3Q0KU88_SCHMA Loading...

DUF2955 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KU88, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 137 aa.

						>A0A3Q0KU88_SCHMA|A0A3Q0KU88
MSIFRLLCFLFTVILAISTLGVGLILSPYWKGNDEPPREAKIHLSLSLISILFLGASSILIIVSIVSGPSRTKKMIIIVMILLILTIGFLCASIVYMFTQINHSFAFWIFSSLWISVTCIPFGLCTLYIPPIQMNRL
					

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	53.9	Low	59	Low	146 Å²	146	83.1 Å²	83.1	72%	0.719	41%	0.414	S	S	*	.				0	120.5	0	-165.9	82.6	155.3	0	0	107.1	I3 I65	M1-I3 PolarHBondContact O-N 3Å; M1-I65 HydrophobicContact CE-CB 4.12Å; M1-I65 HydrophobicContact CE-CD1 3.83Å; M1-I65 HydrophobicContact CE-CG1 3.89Å; M1-I65 HydrophobicContact CE-CG2 3.15Å; M1-I65 HydrophobicContact SD-CG2 4.07Å
2	S	60.6	Low	59.2	Low	50 Å²	50	76.5 Å²	76.5	35%	0.35	38%	0.382	S	S	.	.			trans	-63	133	-178.7	174.9	0	0	0	0	110	F4 R5 L6	S2-F4 PolarHBondContact O-N 3.1Å; S2-F4 VanDerWaalsContact O-N 3.09Å; S2-F4 WeakPolarHBondContact OG-CB 3.11Å; S2-F4 PolarHBondContact OG-N 2.62Å; S2-R5 WeakPolarHBondContact O-CB 3.28Å; S2-R5 PolarHBondContact O-N 3.19Å; S2-L6 PolarHBondContact O-N 2.84Å
3	I	64.6	Low	59.4	Low	135 Å²	135	74.2 Å²	74.2	69%	0.692	37%	0.374	S	S	*	.	H	α-helix	trans	-47.9	-37.1	174.3	-68.7	162.1	0	0	0	110.4	M1 R5 L6 L7	M1-I3 PolarHBondContact O-N 3Å; I3-R5 PolarHBondContact O-N 2.72Å; I3-L6 PolarHBondContact O-N 2.67Å; I3-L7 HydrophobicContact CG2-CD1 3.85Å; I3-L7 HydrophobicContact CG2-CG 4.29Å; I3-L7 WeakPolarHBondContact O-CG 3.45Å; I3-L7 PolarHBondContact O-N 3.44Å
4	F	55.6	Low	59.9	Low	91 Å²	91	75.6 Å²	75.6	40%	0.399	38%	0.382	S	S	.	.	H	α-helix	trans	-58	-44.6	176	-175.2	-99.1	0	0	0	113.3	S2 L6 L7 C8 I129	S2-F4 PolarHBondContact O-N 3.1Å; S2-F4 VanDerWaalsContact O-N 3.09Å; S2-F4 WeakPolarHBondContact OG-CB 3.11Å; S2-F4 PolarHBondContact OG-N 2.62Å; F4-L6 VanDerWaalsContact C-N 3.33Å; F4-L6 PolarHBondContact O-N 2.76Å; F4-L7 PolarHBondContact O-N 3.42Å; F4-C8 PolarHBondContact O-N 3.09Å; F4-C8 PolarHBondContact O-SG 2.89Å; F4-I129 HydrophobicContact CD1-CD1 3.62Å; F4-I129 HydrophobicContact CE1-CD1 3.49Å; F4-I129 VanDerWaalsContact CE1-CD1 3.49Å
5	R	55.5	Low	59.9	Low	37 Å²	37	72.2 Å²	72.2	14%	0.14	37%	0.365	C	S	.	.	H	α-helix	trans	-65.9	-38.3	178.3	-67.9	-173.3	-179.4	179.1	-1.6	111.8	S2 I3 C8 F9 T126 I129 P131	S2-R5 WeakPolarHBondContact O-CB 3.28Å; S2-R5 PolarHBondContact O-N 3.19Å; I3-R5 PolarHBondContact O-N 2.72Å; R5-C8 PolarHBondContact O-N 3.41Å; R5-F9 WeakPolarHBondContact O-CB 3.41Å; R5-F9 PolarHBondContact O-N 3.13Å; R5-T126 HydrophobicContact CG-CG2 4.41Å; R5-T126 PolarHBondContact NE-O 3.21Å; R5-I129 PolarHBondContact NH2-O 3.38Å; R5-P131 VanDerWaalsContact NH2-N 3.17Å
6	L	58.4	Low	59.9	Low	92 Å²	92	68.8 Å²	68.8	48%	0.482	35%	0.351	S	S	.	.	H	α-helix	trans	-65.2	-42.7	176.6	-173.5	69.3	0	0	0	110.8	S2 I3 F4 F9 L10	S2-L6 PolarHBondContact O-N 2.84Å; I3-L6 PolarHBondContact O-N 2.67Å; F4-L6 VanDerWaalsContact C-N 3.33Å; F4-L6 PolarHBondContact O-N 2.76Å; L6-F9 WeakPolarHBondContact O-CB 3.45Å; L6-F9 PolarHBondContact O-N 3.32Å; L6-L10 HydrophobicContact CG-CD1 4.26Å; L6-L10 VanDerWaalsContact O-CG 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.41Å; L6-L10 PolarHBondContact O-N 3.11Å
7	L	60.8	Low	60.2	Low	101 Å²	101	70.9 Å²	70.9	53%	0.529	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-45.7	175.8	-72.7	168.6	0	0	0	112	I3 F4 F9 L10 F11	I3-L7 HydrophobicContact CG2-CD1 3.85Å; I3-L7 HydrophobicContact CG2-CG 4.29Å; I3-L7 WeakPolarHBondContact O-CG 3.45Å; I3-L7 PolarHBondContact O-N 3.44Å; F4-L7 PolarHBondContact O-N 3.42Å; L7-F9 VanDerWaalsContact C-N 3.29Å; L7-F9 PolarHBondContact O-N 3.18Å; L7-L10 PolarHBondContact O-N 3.37Å; L7-F11 WeakPolarHBondContact O-CB 3.49Å; L7-F11 PolarHBondContact O-N 3.33Å
8	C	56	Low	60.3	Low	11 Å²	11	70.1 Å²	70.1	7%	0.074	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-38.6	175.7	-67	0	0	0	0	112.2	F4 R5 T12 T126	F4-C8 PolarHBondContact O-N 3.09Å; F4-C8 PolarHBondContact O-SG 2.89Å; R5-C8 PolarHBondContact O-N 3.41Å; C8-T12 PolarHBondContact O-N 3.24Å; C8-T12 PolarHBondContact O-OG1 3.33Å; C8-T126 HydrophobicContact CB-CG2 3.43Å; C8-T126 VanDerWaalsContact CB-CG2 3.43Å
9	F	59.6	Low	60.3	Low	55 Å²	55	66.8 Å²	66.8	24%	0.241	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-50.1	175.2	176.2	-101.6	0	0	0	111.6	R5 L6 L7 F11 T12 V13 I62	R5-F9 WeakPolarHBondContact O-CB 3.41Å; R5-F9 PolarHBondContact O-N 3.13Å; L6-F9 WeakPolarHBondContact O-CB 3.45Å; L6-F9 PolarHBondContact O-N 3.32Å; L7-F9 VanDerWaalsContact C-N 3.29Å; L7-F9 PolarHBondContact O-N 3.18Å; F9-F11 VanDerWaalsContact C-N 3.27Å; F9-F11 PolarHBondContact O-N 3.39Å; F9-T12 WeakPolarHBondContact O-CB 3.48Å; F9-T12 PolarHBondContact O-N 2.92Å; F9-T12 VanDerWaalsContact O-N 3.16Å; F9-V13 HydrophobicContact CD1-CG2 4.3Å; F9-V13 HydrophobicContact CD2-CG2 4.41Å; F9-V13 HydrophobicContact CE1-CG2 3.83Å; F9-V13 HydrophobicContact CE2-CG2 3.93Å; F9-V13 HydrophobicContact CZ-CG2 3.62Å; F9-V13 WeakPolarHBondContact O-CG2 3.49Å; F9-V13 PolarHBondContact O-N 2.84Å; F9-I62 HydrophobicContact CD2-CG1 4.44Å; F9-I62 HydrophobicContact CE2-CD1 3.9Å; F9-I62 HydrophobicContact CE2-CG1 3.5Å; F9-I62 HydrophobicContact CZ-CD1 4.1Å; F9-I62 HydrophobicContact CZ-CG1 4.05Å
10	L	63	Low	60.3	Low	83 Å²	83	67.6 Å²	67.6	44%	0.435	35%	0.351	S	S	.	.	H	α-helix	trans	-57.2	-43.7	177.4	-73	170.7	0	0	0	111.1	L6 L7 T12 V13 I14	L6-L10 HydrophobicContact CG-CD1 4.26Å; L6-L10 VanDerWaalsContact O-CG 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.41Å; L6-L10 PolarHBondContact O-N 3.11Å; L7-L10 PolarHBondContact O-N 3.37Å; L10-T12 PolarHBondContact O-N 3.03Å; L10-V13 PolarHBondContact O-N 3.14Å; L10-I14 WeakPolarHBondContact O-CB 2.95Å; L10-I14 WeakPolarHBondContact O-CD1 3.47Å; L10-I14 WeakPolarHBondContact O-CG1 3.28Å; L10-I14 PolarHBondContact O-N 3.3Å
11	F	61.4	Low	60.4	Low	113 Å²	113	65.6 Å²	65.6	50%	0.496	35%	0.347	S	S	.	.	H	α-helix	trans	-62.4	-44.4	177.6	-162.5	-108.5	0	0	0	111.9	L7 F9 V13 I14 L15	L7-F11 WeakPolarHBondContact O-CB 3.49Å; L7-F11 PolarHBondContact O-N 3.33Å; F9-F11 VanDerWaalsContact C-N 3.27Å; F9-F11 PolarHBondContact O-N 3.39Å; F11-V13 VanDerWaalsContact C-N 3.34Å; F11-V13 PolarHBondContact O-N 3.36Å; F11-I14 PolarHBondContact O-N 3.26Å; F11-L15 HydrophobicContact CD1-CD1 3.51Å; F11-L15 HydrophobicContact CD1-CG 4.26Å; F11-L15 HydrophobicContact CE1-CD1 3.33Å; F11-L15 HydrophobicContact CE1-CG 4.14Å; F11-L15 HydrophobicContact CG-CD1 4.38Å; F11-L15 HydrophobicContact CZ-CD1 4.04Å; F11-L15 HydrophobicContact CZ-CG 4.45Å; F11-L15 WeakPolarHBondContact O-CB 3.45Å; F11-L15 VanDerWaalsContact O-CG 3.29Å; F11-L15 WeakPolarHBondContact O-CG 3.39Å; F11-L15 PolarHBondContact O-N 3.47Å
12	T	60.9	Low	60.6	Low	4 Å²	4	60.6 Å²	60.6	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-59.6	-43.4	175.3	-54.6	0	0	0	0	111.9	C8 F9 L10 L15 A16 C119	C8-T12 PolarHBondContact O-N 3.24Å; C8-T12 PolarHBondContact O-OG1 3.33Å; F9-T12 WeakPolarHBondContact O-CB 3.48Å; F9-T12 PolarHBondContact O-N 2.92Å; F9-T12 VanDerWaalsContact O-N 3.16Å; L10-T12 PolarHBondContact O-N 3.03Å; T12-L15 PolarHBondContact O-N 3.28Å; T12-A16 WeakPolarHBondContact O-CB 3.49Å; T12-A16 PolarHBondContact O-N 3.31Å; T12-C119 HydrophobicContact CG2-CB 4.45Å
13	V	62.7	Low	60.5	Low	46 Å²	46	59.6 Å²	59.6	28%	0.279	32%	0.322	S	S	.	.	H	α-helix	trans	-65.9	-45.2	178.1	172.3	0	0	0	0	111.1	F9 L10 F11 L15 A16 I17	F9-V13 HydrophobicContact CD1-CG2 4.3Å; F9-V13 HydrophobicContact CD2-CG2 4.41Å; F9-V13 HydrophobicContact CE1-CG2 3.83Å; F9-V13 HydrophobicContact CE2-CG2 3.93Å; F9-V13 HydrophobicContact CZ-CG2 3.62Å; F9-V13 WeakPolarHBondContact O-CG2 3.49Å; F9-V13 PolarHBondContact O-N 2.84Å; L10-V13 PolarHBondContact O-N 3.14Å; F11-V13 VanDerWaalsContact C-N 3.34Å; F11-V13 PolarHBondContact O-N 3.36Å; V13-L15 VanDerWaalsContact C-N 3.29Å; V13-L15 PolarHBondContact O-N 3.21Å; V13-A16 PolarHBondContact O-N 3.25Å; V13-I17 HydrophobicContact CG1-CD1 3.77Å; V13-I17 HydrophobicContact CG1-CG1 4.39Å; V13-I17 VanDerWaalsContact O-CG1 3.32Å; V13-I17 WeakPolarHBondContact O-CG1 3.5Å; V13-I17 PolarHBondContact O-N 3.26Å
14	I	65.9	Low	60.2	Low	95 Å²	95	59.2 Å²	59.2	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-59.3	-43.8	177	-70.2	164.2	0	0	0	110.3	L10 F11 I17 S18	L10-I14 WeakPolarHBondContact O-CB 2.95Å; L10-I14 WeakPolarHBondContact O-CD1 3.47Å; L10-I14 WeakPolarHBondContact O-CG1 3.28Å; L10-I14 PolarHBondContact O-N 3.3Å; F11-I14 PolarHBondContact O-N 3.26Å; I14-I17 PolarHBondContact O-N 3.46Å; I14-S18 WeakPolarHBondContact O-CB 3.46Å; I14-S18 PolarHBondContact O-N 2.85Å; I14-S18 PolarHBondContact O-OG 2.88Å
15	L	59.5	Low	60.3	Low	24 Å²	24	60.2 Å²	60.2	13%	0.126	33%	0.329	C	S	.	.	H	α-helix	trans	-65.9	-38.4	177.3	-73.2	176	0	0	0	112.2	F11 T12 V13 S18 T19 I115 C119	F11-L15 HydrophobicContact CD1-CD1 3.51Å; F11-L15 HydrophobicContact CD1-CG 4.26Å; F11-L15 HydrophobicContact CE1-CD1 3.33Å; F11-L15 HydrophobicContact CE1-CG 4.14Å; F11-L15 HydrophobicContact CG-CD1 4.38Å; F11-L15 HydrophobicContact CZ-CD1 4.04Å; F11-L15 HydrophobicContact CZ-CG 4.45Å; F11-L15 WeakPolarHBondContact O-CB 3.45Å; F11-L15 VanDerWaalsContact O-CG 3.29Å; F11-L15 WeakPolarHBondContact O-CG 3.39Å; F11-L15 PolarHBondContact O-N 3.47Å; T12-L15 PolarHBondContact O-N 3.28Å; V13-L15 VanDerWaalsContact C-N 3.29Å; V13-L15 PolarHBondContact O-N 3.21Å; L15-S18 PolarHBondContact O-N 2.93Å; L15-T19 WeakPolarHBondContact O-CB 3.21Å; L15-T19 PolarHBondContact O-N 3.36Å; L15-T19 PolarHBondContact O-OG1 3.32Å; L15-I115 HydrophobicContact CB-CG2 3.74Å; L15-I115 HydrophobicContact CD1-CG2 4.07Å; L15-I115 HydrophobicContact CD2-CG1 4.42Å; L15-I115 HydrophobicContact CD2-CG2 3.86Å; L15-I115 HydrophobicContact CG-CG2 4.1Å; L15-C119 WeakPolarHBondContact CD1-SG 3.43Å
16	A	60.6	Low	60.2	Low	17 Å²	17	60.5 Å²	60.5	14%	0.14	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-44.6	173.9	0	0	0	0	0	112.5	T12 V13 S18 T19 L20 L54	T12-A16 WeakPolarHBondContact O-CB 3.49Å; T12-A16 PolarHBondContact O-N 3.31Å; V13-A16 PolarHBondContact O-N 3.25Å; A16-S18 VanDerWaalsContact C-N 3.33Å; A16-S18 PolarHBondContact O-N 3.23Å; A16-T19 PolarHBondContact O-N 3.5Å; A16-L20 WeakPolarHBondContact O-CG 3.45Å; A16-L20 PolarHBondContact O-N 3.3Å; A16-L54 HydrophobicContact CB-CD2 3.79Å; A16-L54 HydrophobicContact CB-CG 4.19Å
17	I	64.5	Low	60	Low	105 Å²	105	59.5 Å²	59.5	54%	0.538	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-41.7	175.1	-66.4	166.7	0	0	0	110.5	V13 I14 T19 L20 G21	V13-I17 HydrophobicContact CG1-CD1 3.77Å; V13-I17 HydrophobicContact CG1-CG1 4.39Å; V13-I17 VanDerWaalsContact O-CG1 3.32Å; V13-I17 WeakPolarHBondContact O-CG1 3.5Å; V13-I17 PolarHBondContact O-N 3.26Å; I14-I17 PolarHBondContact O-N 3.46Å; I17-T19 VanDerWaalsContact C-N 3.31Å; I17-T19 PolarHBondContact O-N 3.16Å; I17-L20 PolarHBondContact O-N 3.36Å; I17-G21 PolarHBondContact O-N 3.37Å
18	S	62	Low	59.5	Low	57 Å²	57	58.4 Å²	58.4	40%	0.399	33%	0.333	S	S	.	.	H	α-helix	trans	-61.4	-42.4	176.8	-57.5	0	0	0	0	110.9	I14 L15 A16 G21 V22	I14-S18 WeakPolarHBondContact O-CB 3.46Å; I14-S18 PolarHBondContact O-N 2.85Å; I14-S18 PolarHBondContact O-OG 2.88Å; L15-S18 PolarHBondContact O-N 2.93Å; A16-S18 VanDerWaalsContact C-N 3.33Å; A16-S18 PolarHBondContact O-N 3.23Å; S18-G21 PolarHBondContact O-N 3.43Å; S18-V22 WeakPolarHBondContact O-CG2 3.44Å; S18-V22 PolarHBondContact O-N 3.28Å
19	T	61.4	Low	59.3	Low	8 Å²	8	66.5 Å²	66.5	5%	0.049	36%	0.363	C	S	.	.	H	α-helix	trans	-64.7	-42.1	177	-52.6	0	0	0	0	111.7	L15 A16 I17 V22 G23 I51 L54 S112	L15-T19 WeakPolarHBondContact O-CB 3.21Å; L15-T19 PolarHBondContact O-N 3.36Å; L15-T19 PolarHBondContact O-OG1 3.32Å; A16-T19 PolarHBondContact O-N 3.5Å; I17-T19 VanDerWaalsContact C-N 3.31Å; I17-T19 PolarHBondContact O-N 3.16Å; T19-V22 PolarHBondContact O-N 3.43Å; T19-G23 PolarHBondContact O-N 2.96Å; T19-I51 HydrophobicContact CG2-CG1 4.14Å; T19-L54 HydrophobicContact CG2-CD2 4.46Å; T19-S112 WeakPolarHBondContact CG2-OG 3.45Å
20	L	60.2	Low	58.9	Low	81 Å²	81	67.3 Å²	67.3	42%	0.424	37%	0.365	S	S	.	.	H	α-helix	trans	-62.4	-42.9	172.5	-74.8	169.4	0	0	0	111.8	A16 I17 G23 L24 I51	A16-L20 WeakPolarHBondContact O-CG 3.45Å; A16-L20 PolarHBondContact O-N 3.3Å; I17-L20 PolarHBondContact O-N 3.36Å; L20-G23 PolarHBondContact O-N 2.61Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 3.19Å; L20-I51 HydrophobicContact CD2-CD1 4.33Å; L20-I51 HydrophobicContact CD2-CG2 3.52Å; L20-I51 HydrophobicContact CG-CG2 4.38Å
21	G	62.4	Low	58.2	Low	26 Å²	26	72.9 Å²	72.9	27%	0.268	39%	0.385	S	S	.	.	H	α-helix	trans	-60.4	-44.8	177.1	0	0	0	0	0	111.9	I17 S18 G23 L24 I25	I17-G21 PolarHBondContact O-N 3.37Å; S18-G21 PolarHBondContact O-N 3.43Å; G21-G23 VanDerWaalsContact C-N 3.35Å; G21-G23 PolarHBondContact O-N 3.46Å; G21-L24 PolarHBondContact O-N 3.02Å; G21-I25 WeakPolarHBondContact O-CB 3.32Å; G21-I25 WeakPolarHBondContact O-CD1 3.3Å; G21-I25 VanDerWaalsContact O-CG1 3.24Å; G21-I25 WeakPolarHBondContact O-CG1 3.47Å; G21-I25 PolarHBondContact O-N 3.3Å
22	V	57.7	Low	57.8	Low	42 Å²	42	70.5 Å²	70.5	26%	0.255	39%	0.393	S	S	.	.	H	α-helix	trans	-61	-44.2	173.9	172.7	0	0	0	0	110.9	S18 T19 L24 I25 L26 W108	S18-V22 WeakPolarHBondContact O-CG2 3.44Å; S18-V22 PolarHBondContact O-N 3.28Å; T19-V22 PolarHBondContact O-N 3.43Å; V22-L24 VanDerWaalsContact C-N 3.32Å; V22-L24 PolarHBondContact O-N 3.45Å; V22-I25 PolarHBondContact O-N 2.9Å; V22-L26 HydrophobicContact CG1-CD1 3.92Å; V22-L26 WeakPolarHBondContact O-CG 2.81Å; V22-L26 PolarHBondContact O-N 3.48Å; V22-W108 HydrophobicContact CG1-CE3 3.73Å; V22-W108 HydrophobicContact CG1-CZ3 4.19Å; V22-W108 HydrophobicContact CG2-CE3 4.39Å; V22-W108 HydrophobicContact CG2-CZ3 4.11Å
23	G	57.7	Low	57.2	Low	28 Å²	28	75.6 Å²	75.6	29%	0.289	42%	0.42	S	S	.	.	H	α-helix	trans	-60.1	-39.8	175.3	0	0	0	0	0	113.2	T19 L20 G21 S27	T19-G23 PolarHBondContact O-N 2.96Å; L20-G23 PolarHBondContact O-N 2.61Å; G21-G23 VanDerWaalsContact C-N 3.35Å; G21-G23 PolarHBondContact O-N 3.46Å; G23-S27 PolarHBondContact O-N 2.9Å
24	L	59.6	Low	56.8	Low	127 Å²	127	81.9 Å²	81.9	67%	0.665	45%	0.452	S	S	*	.	H	α-helix	trans	-72.6	-35.7	177.5	-72	172.3	0	0	0	113	L20 G21 V22 L26 S27 P28	L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 3.19Å; G21-L24 PolarHBondContact O-N 3.02Å; V22-L24 VanDerWaalsContact C-N 3.32Å; V22-L24 PolarHBondContact O-N 3.45Å; L24-L26 VanDerWaalsContact C-N 3.32Å; L24-S27 VanDerWaalsContact O-CB 3.25Å; L24-S27 WeakPolarHBondContact O-CB 3.34Å; L24-S27 PolarHBondContact O-N 3.24Å; L24-P28 WeakPolarHBondContact O-CD 3.32Å
25	I	57.1	Low	56.2	Low	112 Å²	112	85.4 Å²	85.4	57%	0.574	47%	0.467	S	S	*	.	H	α-helix	trans	-69.8	-31.9	176.5	-69.1	163.6	0	0	0	111	G21 V22 P28 Y29	G21-I25 WeakPolarHBondContact O-CB 3.32Å; G21-I25 WeakPolarHBondContact O-CD1 3.3Å; G21-I25 VanDerWaalsContact O-CG1 3.24Å; G21-I25 WeakPolarHBondContact O-CG1 3.47Å; G21-I25 PolarHBondContact O-N 3.3Å; V22-I25 PolarHBondContact O-N 2.9Å; I25-P28 VanDerWaalsContact O-CD 3.24Å; I25-P28 WeakPolarHBondContact O-CD 3.49Å; I25-P28 WeakPolarHBondContact O-CG 3.44Å; I25-Y29 WeakPolarHBondContact O-CD2 3.48Å
26	L	53.3	Low	55.9	Low	43 Å²	43	86.3 Å²	86.3	23%	0.225	47%	0.474	C	S	.	.	H	α-helix	trans	-76.3	-23	174.9	-69.9	168.6	0	0	0	112.8	V22 L24 Y29 F105	V22-L26 HydrophobicContact CG1-CD1 3.92Å; V22-L26 WeakPolarHBondContact O-CG 2.81Å; V22-L26 PolarHBondContact O-N 3.48Å; L24-L26 VanDerWaalsContact C-N 3.32Å; L26-Y29 PolarHBondContact O-N 2.9Å; L26-F105 HydrophobicContact CD1-CE2 4.49Å
27	S	52.9	Low	55.8	Low	71 Å²	71	89.2 Å²	89.2	50%	0.497	49%	0.491	S	S	.	.	S	Bend	trans	-56	-46.9	177.6	-175.1	0	0	0	0	114.7	G23 L24 Y29 W30	G23-S27 PolarHBondContact O-N 2.9Å; L24-S27 VanDerWaalsContact O-CB 3.25Å; L24-S27 WeakPolarHBondContact O-CB 3.34Å; L24-S27 PolarHBondContact O-N 3.24Å; S27-Y29 VanDerWaalsContact C-N 3.33Å; S27-Y29 PolarHBondContact O-N 2.99Å; S27-W30 WeakPolarHBondContact O-CB 3.28Å; S27-W30 PolarHBondContact O-N 3.39Å; S27-W30 VanDerWaalsContact O-N 3.15Å
28	P	51.4	Low	55.6	Low	79 Å²	79	94.6 Å²	94.6	51%	0.513	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-69.6	-22.9	178.7	23.8	-33.5	0	0	0	114.4	L24 I25 W30 K31	L24-P28 WeakPolarHBondContact O-CD 3.32Å; I25-P28 VanDerWaalsContact O-CD 3.24Å; I25-P28 WeakPolarHBondContact O-CD 3.49Å; I25-P28 WeakPolarHBondContact O-CG 3.44Å; P28-W30 PolarHBondContact O-N 3.16Å; P28-W30 VanDerWaalsContact O-N 3.09Å; P28-K31 PolarHBondContact O-N 2.85Å; P28-K31 VanDerWaalsContact O-N 3.15Å
29	Y	52.4	Low	55.3	Low	180 Å²	180	96.4 Å²	96.4	71%	0.706	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-64.7	-10.6	171.9	-75.7	-83.3	0	0	0	112.8	I25 L26 S27	I25-Y29 WeakPolarHBondContact O-CD2 3.48Å; L26-Y29 PolarHBondContact O-N 2.9Å; S27-Y29 VanDerWaalsContact C-N 3.33Å; S27-Y29 PolarHBondContact O-N 2.99Å
30	W	50.2	Low	54.9	Low	73 Å²	73	96.7 Å²	96.7	28%	0.277	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-97.6	-15.6	177.4	-70.2	23.5	0	0	0	113.9	S27 P28 G32 A40 L44	S27-W30 WeakPolarHBondContact O-CB 3.28Å; S27-W30 PolarHBondContact O-N 3.39Å; S27-W30 VanDerWaalsContact O-N 3.15Å; P28-W30 PolarHBondContact O-N 3.16Å; P28-W30 VanDerWaalsContact O-N 3.09Å; W30-G32 PolarHBondContact O-N 3.3Å; W30-A40 VanDerWaalsContact CH2-C 3.5Å; W30-A40 HydrophobicContact CH2-CB 4.12Å; W30-A40 WeakPolarHBondContact CH2-O 3.4Å; W30-A40 HydrophobicContact CZ2-CB 3.79Å; W30-A40 VanDerWaalsContact CZ2-O 3.3Å; W30-A40 WeakPolarHBondContact CZ2-O 3.41Å; W30-L44 HydrophobicContact CE3-CD2 4.38Å; W30-L44 HydrophobicContact CH2-CB 3.22Å; W30-L44 HydrophobicContact CH2-CD1 4.47Å; W30-L44 HydrophobicContact CH2-CD2 3.92Å; W30-L44 HydrophobicContact CH2-CG 4.05Å; W30-L44 HydrophobicContact CZ2-CB 3.93Å; W30-L44 HydrophobicContact CZ3-CB 3.81Å; W30-L44 HydrophobicContact CZ3-CD2 3.55Å; W30-L44 HydrophobicContact CZ3-CG 4.18Å
31	K	48.7	Very low	54.8	Low	199 Å²	199	98.9 Å²	98.9	87%	0.865	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.5	-178.7	-106.2	-177.9	176	-178.1	0	113.8	P28	P28-K31 PolarHBondContact O-N 2.85Å; P28-K31 VanDerWaalsContact O-N 3.15Å
32	G	52.4	Low	54.7	Low	64 Å²	64	101.6 Å²	101.6	66%	0.66	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	0.5	-175.4	0	0	0	0	0	116.5	W30	W30-G32 PolarHBondContact O-N 3.3Å
33	N	49.7	Very low	54.7	Low	111 Å²	111	100.3 Å²	100.3	59%	0.594	52%	0.515	S	S	*	.			trans	-120.5	119.5	179.2	-82.7	-17.5	0	0	0	110.4	E35	N33-E35 PolarHBondContact O-N 2.88Å
34	D	53.7	Low	54.7	Low	177 Å²	177	102.3 Å²	102.3	95%	0.947	52%	0.519	S	S	*	.	S	Bend	trans	-60.9	-16.5	-175.6	-73	-47.9	0	0	0	114.2
35	E	52.6	Low	54.9	Low	170 Å²	170	98.9 Å²	98.9	79%	0.794	51%	0.505	S	S	*	.	S	Bend	trans	-142.4	106.8	165.7	-68	-172.1	151.3	0	0	110	N33	N33-E35 PolarHBondContact O-N 2.88Å
36	P	53.6	Low	55	Low	42 Å²	42	95.5 Å²	95.5	27%	0.273	49%	0.488	S	S	.	.			trans	-63.7	127.3	170.7	24.1	-30.4	0	0	0	108.1	R38 A40	P36-R38 PolarHBondContact O-N 3.28Å; P36-A40 HydrophobicContact CB-CB 4.35Å
37	P	59.2	Low	55.5	Low	78 Å²	78	95 Å²	95	51%	0.506	49%	0.489	S	S	.	.			trans	-53.4	141.4	-179.9	20.2	-30.6	0	0	0	109	E39 A40	P37-E39 PolarHBondContact O-N 3Å; P37-A40 HydrophobicContact CG-CB 4.13Å; P37-A40 WeakPolarHBondContact O-CA 3.32Å; P37-A40 VanDerWaalsContact O-CB 3.31Å; P37-A40 WeakPolarHBondContact O-CB 3.33Å; P37-A40 PolarHBondContact O-N 2.88Å
38	R	59.1	Low	56	Low	218 Å²	218	95.9 Å²	95.9	82%	0.823	49%	0.487	S	S	*	.	H	α-helix	trans	-48.2	-31.6	-176.1	-76.1	-177.1	178.7	-177.1	0	112.8	P36 K41 I42	P36-R38 PolarHBondContact O-N 3.28Å; R38-K41 WeakPolarHBondContact O-CB 3.28Å; R38-K41 PolarHBondContact O-N 3.25Å; R38-I42 PolarHBondContact O-N 3.27Å
39	E	55.2	Low	56.6	Low	95 Å²	95	95 Å²	95	44%	0.444	48%	0.477	S	S	.	.	H	α-helix	trans	-61.6	-43.8	176.3	-56	178	163.5	0	0	112.1	P37 K41 I42 H43 Q100	P37-E39 PolarHBondContact O-N 3Å; E39-K41 VanDerWaalsContact C-N 3.3Å; E39-K41 PolarHBondContact O-N 2.87Å; E39-I42 WeakPolarHBondContact O-CB 3.12Å; E39-I42 PolarHBondContact O-N 3.22Å; E39-I42 VanDerWaalsContact O-N 3.09Å; E39-H43 VanDerWaalsContact C-CD2 3.46Å; E39-H43 PolarHBondContact O-CD2 2.69Å; E39-H43 PolarHBondContact O-N 3.45Å; E39-Q100 PolarHBondContact OE1-NE2 3.24Å; E39-Q100 PolarHBondContact OE2-NE2 3.34Å
40	A	54.1	Low	57	Low	15 Å²	15	87 Å²	87	12%	0.124	45%	0.448	C	S	.	.	H	α-helix	trans	-58.1	-41.5	175	0	0	0	0	0	111.7	W30 P36 P37 I42 H43 L44	W30-A40 VanDerWaalsContact CH2-C 3.5Å; W30-A40 HydrophobicContact CH2-CB 4.12Å; W30-A40 WeakPolarHBondContact CH2-O 3.4Å; W30-A40 HydrophobicContact CZ2-CB 3.79Å; W30-A40 VanDerWaalsContact CZ2-O 3.3Å; W30-A40 WeakPolarHBondContact CZ2-O 3.41Å; P36-A40 HydrophobicContact CB-CB 4.35Å; P37-A40 HydrophobicContact CG-CB 4.13Å; P37-A40 WeakPolarHBondContact O-CA 3.32Å; P37-A40 VanDerWaalsContact O-CB 3.31Å; P37-A40 WeakPolarHBondContact O-CB 3.33Å; P37-A40 PolarHBondContact O-N 2.88Å; A40-I42 VanDerWaalsContact C-N 3.31Å; A40-I42 PolarHBondContact O-N 3.45Å; A40-H43 WeakPolarHBondContact O-CB 3.41Å; A40-H43 PolarHBondContact O-N 3.23Å; A40-L44 PolarHBondContact O-N 3.47Å
41	K	57.7	Low	57.7	Low	127 Å²	127	85.2 Å²	85.2	55%	0.552	44%	0.443	S	S	*	.	H	α-helix	trans	-61.1	-39	176.8	-63.8	-177.1	-179.2	179.6	0	112.4	R38 E39 H43 S45	R38-K41 WeakPolarHBondContact O-CB 3.28Å; R38-K41 PolarHBondContact O-N 3.25Å; E39-K41 VanDerWaalsContact C-N 3.3Å; E39-K41 PolarHBondContact O-N 2.87Å; K41-H43 VanDerWaalsContact C-N 3.29Å; K41-S45 PolarHBondContact O-N 2.99Å; K41-S45 VanDerWaalsContact O-N 3.12Å; K41-S45 PolarHBondContact O-OG 3.46Å
42	I	59.6	Low	58.4	Low	82 Å²	82	81.7 Å²	81.7	42%	0.421	43%	0.433	S	S	.	.	H	α-helix	trans	-65.7	-36.1	175.4	-62.8	167.9	0	0	0	110.3	R38 E39 A40 S45 L46	R38-I42 PolarHBondContact O-N 3.27Å; E39-I42 WeakPolarHBondContact O-CB 3.12Å; E39-I42 PolarHBondContact O-N 3.22Å; E39-I42 VanDerWaalsContact O-N 3.09Å; A40-I42 VanDerWaalsContact C-N 3.31Å; A40-I42 PolarHBondContact O-N 3.45Å; I42-S45 WeakPolarHBondContact CA-OG 3.47Å; I42-S45 PolarHBondContact O-N 3.35Å; I42-S45 PolarHBondContact O-OG 2.92Å; I42-L46 HydrophobicContact CG2-CD1 3.94Å; I42-L46 PolarHBondContact O-N 3.47Å
43	H	57.6	Low	59	Low	15 Å²	15	81.1 Å²	81.1	7%	0.069	41%	0.413	C	S	.	.	H	α-helix	trans	-69.8	-40.8	178.2	-68.9	-69.1	0	0	0	113.8	E39 A40 K41 S45 L46 S47 Y96 F105 I109	E39-H43 VanDerWaalsContact C-CD2 3.46Å; E39-H43 PolarHBondContact O-CD2 2.69Å; E39-H43 PolarHBondContact O-N 3.45Å; A40-H43 WeakPolarHBondContact O-CB 3.41Å; A40-H43 PolarHBondContact O-N 3.23Å; K41-H43 VanDerWaalsContact C-N 3.29Å; H43-S45 VanDerWaalsContact C-N 3.32Å; H43-L46 PolarHBondContact O-N 3.42Å; H43-S47 WeakPolarHBondContact O-CB 3.41Å; H43-S47 PolarHBondContact O-N 2.96Å; H43-S47 PolarHBondContact O-OG 3.32Å; H43-Y96 AromaticContact CE1-CD1 3.58Å; H43-Y96 AromaticContact CE1-CE1 3.31Å; H43-Y96 WeakPolarHBondContact CE1-CE1 3.33Å; H43-Y96 AromaticContact NE2-CE1 3.52Å; H43-F105 HydrophobicContact CB-CE1 3.42Å; H43-F105 VanDerWaalsContact CB-CE1 3.42Å; H43-F105 HydrophobicContact CB-CZ 3.69Å; H43-F105 AromaticContact CD2-CE1 3.56Å; H43-F105 AromaticContact CG-CE1 3.36Å; H43-F105 AromaticContact ND1-CE1 3.73Å; H43-I109 HydrophobicContact CB-CD1 4.12Å; H43-I109 WeakPolarHBondContact ND1-CD1 3.5Å
44	L	59	Low	59.7	Low	71 Å²	71	76.1 Å²	76.1	37%	0.372	39%	0.386	S	S	.	.	H	α-helix	trans	-65.8	-38.8	174.9	-179.2	75.9	0	0	0	111.2	W30 A40 S47 L48	W30-L44 HydrophobicContact CE3-CD2 4.38Å; W30-L44 HydrophobicContact CH2-CB 3.22Å; W30-L44 HydrophobicContact CH2-CD1 4.47Å; W30-L44 HydrophobicContact CH2-CD2 3.92Å; W30-L44 HydrophobicContact CH2-CG 4.05Å; W30-L44 HydrophobicContact CZ2-CB 3.93Å; W30-L44 HydrophobicContact CZ3-CB 3.81Å; W30-L44 HydrophobicContact CZ3-CD2 3.55Å; W30-L44 HydrophobicContact CZ3-CG 4.18Å; A40-L44 PolarHBondContact O-N 3.47Å; L44-S47 WeakPolarHBondContact CA-OG 3.19Å; L44-S47 PolarHBondContact O-N 3.28Å; L44-S47 PolarHBondContact O-OG 3.42Å; L44-L48 HydrophobicContact CD1-CD1 4.43Å; L44-L48 HydrophobicContact CD1-CG 4.37Å; L44-L48 HydrophobicContact CD2-CD1 4.31Å; L44-L48 HydrophobicContact CG-CD1 3.87Å; L44-L48 HydrophobicContact CG-CG 4.23Å; L44-L48 VanDerWaalsContact O-CB 3.25Å; L44-L48 WeakPolarHBondContact O-CB 3.35Å; L44-L48 WeakPolarHBondContact O-CG 3.29Å; L44-L48 PolarHBondContact O-N 3.16Å
45	S	62.7	Low	60.1	Low	54 Å²	54	69 Å²	69	38%	0.378	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-42.6	175.7	65.2	0	0	0	0	111.1	K41 I42 H43 L48 I49	K41-S45 PolarHBondContact O-N 2.99Å; K41-S45 VanDerWaalsContact O-N 3.12Å; K41-S45 PolarHBondContact O-OG 3.46Å; I42-S45 WeakPolarHBondContact CA-OG 3.47Å; I42-S45 PolarHBondContact O-N 3.35Å; I42-S45 PolarHBondContact O-OG 2.92Å; H43-S45 VanDerWaalsContact C-N 3.32Å; S45-L48 PolarHBondContact O-N 3Å; S45-I49 WeakPolarHBondContact O-CB 3.48Å; S45-I49 WeakPolarHBondContact O-CD1 3.37Å; S45-I49 WeakPolarHBondContact O-CG1 3.4Å; S45-I49 PolarHBondContact O-N 3.49Å
46	L	60.9	Low	60.6	Low	42 Å²	42	62.7 Å²	62.7	22%	0.22	33%	0.331	C	S	.	.	H	α-helix	trans	-62	-43.8	173.1	-106.6	119.6	0	0	0	112.8	I42 H43 I49 S50 F89	I42-L46 HydrophobicContact CG2-CD1 3.94Å; I42-L46 PolarHBondContact O-N 3.47Å; H43-L46 PolarHBondContact O-N 3.42Å; L46-I49 PolarHBondContact O-N 3.35Å; L46-S50 PolarHBondContact O-N 2.89Å; L46-F89 HydrophobicContact CD2-CD1 3.84Å; L46-F89 HydrophobicContact CD2-CE1 4.35Å
47	S	62.1	Low	61.1	Low	33 Å²	33	61.1 Å²	61.1	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-41.7	178.5	65.7	0	0	0	0	111.3	H43 L44 I49 S50 I51	H43-S47 WeakPolarHBondContact O-CB 3.41Å; H43-S47 PolarHBondContact O-N 2.96Å; H43-S47 PolarHBondContact O-OG 3.32Å; L44-S47 WeakPolarHBondContact CA-OG 3.19Å; L44-S47 PolarHBondContact O-N 3.28Å; L44-S47 PolarHBondContact O-OG 3.42Å; S47-I49 VanDerWaalsContact C-N 3.34Å; S47-I49 PolarHBondContact O-N 2.96Å; S47-S50 WeakPolarHBondContact CA-OG 3.38Å; S47-S50 PolarHBondContact O-N 3.21Å; S47-S50 PolarHBondContact O-OG 3.27Å; S47-I51 WeakPolarHBondContact O-CD1 3.47Å; S47-I51 VanDerWaalsContact O-CG1 3.26Å; S47-I51 WeakPolarHBondContact O-CG1 3.32Å; S47-I51 PolarHBondContact O-N 2.91Å
48	L	63.6	Low	61.1	Low	89 Å²	89	58.4 Å²	58.4	47%	0.466	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-43	175.1	-75.2	170.2	0	0	0	111.1	L44 S45 S50 I51 L52	L44-L48 HydrophobicContact CD1-CD1 4.43Å; L44-L48 HydrophobicContact CD1-CG 4.37Å; L44-L48 HydrophobicContact CD2-CD1 4.31Å; L44-L48 HydrophobicContact CG-CD1 3.87Å; L44-L48 HydrophobicContact CG-CG 4.23Å; L44-L48 VanDerWaalsContact O-CB 3.25Å; L44-L48 WeakPolarHBondContact O-CB 3.35Å; L44-L48 WeakPolarHBondContact O-CG 3.29Å; L44-L48 PolarHBondContact O-N 3.16Å; S45-L48 PolarHBondContact O-N 3Å; L48-S50 VanDerWaalsContact C-N 3.34Å; L48-S50 PolarHBondContact O-N 2.93Å; L48-I51 PolarHBondContact O-N 2.79Å; L48-L52 WeakPolarHBondContact O-CB 3.31Å; L48-L52 VanDerWaalsContact O-CG 3.28Å; L48-L52 WeakPolarHBondContact O-CG 3.43Å; L48-L52 PolarHBondContact O-N 2.89Å
49	I	65.1	Low	61.4	Low	60 Å²	60	53 Å²	53	31%	0.308	29%	0.29	S	S	.	.	H	α-helix	trans	-60.1	-45.1	174.5	-71.7	162.6	0	0	0	110.3	S45 L46 S47 I51 L52 F53 F89	S45-I49 WeakPolarHBondContact O-CB 3.48Å; S45-I49 WeakPolarHBondContact O-CD1 3.37Å; S45-I49 WeakPolarHBondContact O-CG1 3.4Å; S45-I49 PolarHBondContact O-N 3.49Å; L46-I49 PolarHBondContact O-N 3.35Å; S47-I49 VanDerWaalsContact C-N 3.34Å; S47-I49 PolarHBondContact O-N 2.96Å; I49-I51 PolarHBondContact O-N 3.31Å; I49-L52 WeakPolarHBondContact O-CB 3.43Å; I49-L52 PolarHBondContact O-N 2.75Å; I49-F53 HydrophobicContact CG2-CD2 3.51Å; I49-F53 HydrophobicContact CG2-CE2 3.41Å; I49-F53 VanDerWaalsContact CG2-CE2 3.41Å; I49-F53 WeakPolarHBondContact O-CD2 3.38Å; I49-F53 PolarHBondContact O-N 3.31Å; I49-F89 HydrophobicContact CG2-CE1 4.15Å; I49-F89 HydrophobicContact CG2-CE2 4.16Å; I49-F89 HydrophobicContact CG2-CZ 3.79Å
50	S	60.9	Low	61.7	Low	11 Å²	11	50.1 Å²	50.1	8%	0.077	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-40.4	177.6	72.9	0	0	0	0	112.7	L46 S47 L48 F53 L54	L46-S50 PolarHBondContact O-N 2.89Å; S47-S50 WeakPolarHBondContact CA-OG 3.38Å; S47-S50 PolarHBondContact O-N 3.21Å; S47-S50 PolarHBondContact O-OG 3.27Å; L48-S50 VanDerWaalsContact C-N 3.34Å; L48-S50 PolarHBondContact O-N 2.93Å; S50-F53 PolarHBondContact O-N 3.39Å; S50-L54 WeakPolarHBondContact O-CB 3.46Å; S50-L54 PolarHBondContact O-N 3.45Å
51	I	63.2	Low	62	Low	36 Å²	36	49.8 Å²	49.8	19%	0.185	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-43	175.5	-70.3	163.1	0	0	0	110.5	T19 L20 S47 L48 I49 F53 L54 G55	T19-I51 HydrophobicContact CG2-CG1 4.14Å; L20-I51 HydrophobicContact CD2-CD1 4.33Å; L20-I51 HydrophobicContact CD2-CG2 3.52Å; L20-I51 HydrophobicContact CG-CG2 4.38Å; S47-I51 WeakPolarHBondContact O-CD1 3.47Å; S47-I51 VanDerWaalsContact O-CG1 3.26Å; S47-I51 WeakPolarHBondContact O-CG1 3.32Å; S47-I51 PolarHBondContact O-N 2.91Å; L48-I51 PolarHBondContact O-N 2.79Å; I49-I51 PolarHBondContact O-N 3.31Å; I51-F53 VanDerWaalsContact C-N 3.35Å; I51-L54 PolarHBondContact O-N 3.36Å; I51-G55 PolarHBondContact O-N 3.2Å
52	L	65.1	Low	62.1	Low	126 Å²	126	47.1 Å²	47.1	66%	0.66	27%	0.265	S	S	*	.	H	α-helix	trans	-62.2	-42.4	175.8	-74.3	169.1	0	0	0	111.3	L48 I49 G55 A56	L48-L52 WeakPolarHBondContact O-CB 3.31Å; L48-L52 VanDerWaalsContact O-CG 3.28Å; L48-L52 WeakPolarHBondContact O-CG 3.43Å; L48-L52 PolarHBondContact O-N 2.89Å; I49-L52 WeakPolarHBondContact O-CB 3.43Å; I49-L52 PolarHBondContact O-N 2.75Å; L52-G55 PolarHBondContact O-N 3.46Å; L52-A56 VanDerWaalsContact O-CB 3.31Å; L52-A56 WeakPolarHBondContact O-CB 3.4Å; L52-A56 PolarHBondContact O-N 3.45Å
53	F	65	Low	62.2	Low	52 Å²	52	46 Å²	46	23%	0.228	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-41	175	-85.4	-64.3	0	0	0	112.2	I49 S50 I51 A56 S57 L82 L85 F89	I49-F53 HydrophobicContact CG2-CD2 3.51Å; I49-F53 HydrophobicContact CG2-CE2 3.41Å; I49-F53 VanDerWaalsContact CG2-CE2 3.41Å; I49-F53 WeakPolarHBondContact O-CD2 3.38Å; I49-F53 PolarHBondContact O-N 3.31Å; S50-F53 PolarHBondContact O-N 3.39Å; I51-F53 VanDerWaalsContact C-N 3.35Å; F53-A56 PolarHBondContact O-N 3.18Å; F53-S57 WeakPolarHBondContact O-CB 3.33Å; F53-S57 PolarHBondContact O-N 2.9Å; F53-L82 HydrophobicContact CD1-CD2 3.42Å; F53-L82 VanDerWaalsContact CD1-CD2 3.42Å; F53-L82 HydrophobicContact CE1-CD2 3.72Å; F53-L85 HydrophobicContact CE1-CD1 4.01Å; F53-L85 HydrophobicContact CZ-CD1 4.19Å; F53-F89 HydrophobicContact CD2-CE2 4.4Å; F53-F89 HydrophobicContact CE2-CD2 4.22Å; F53-F89 AromaticContact CE2-CE2 3.66Å; F53-F89 HydrophobicContact CE2-CE2 3.66Å; F53-F89 HydrophobicContact CE2-CZ 4.37Å; F53-F89 HydrophobicContact CZ-CE2 4.32Å
54	L	63.5	Low	62.2	Low	6 Å²	6	45.8 Å²	45.8	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-44	177	-168.7	67.2	0	0	0	111.2	A16 T19 S50 I51 S57 S58 C119	A16-L54 HydrophobicContact CB-CD2 3.79Å; A16-L54 HydrophobicContact CB-CG 4.19Å; T19-L54 HydrophobicContact CG2-CD2 4.46Å; S50-L54 WeakPolarHBondContact O-CB 3.46Å; S50-L54 PolarHBondContact O-N 3.45Å; I51-L54 PolarHBondContact O-N 3.36Å; L54-S57 PolarHBondContact O-N 3.05Å; L54-S57 PolarHBondContact O-OG 2.87Å; L54-S58 PolarHBondContact O-N 3.37Å; L54-C119 HydrophobicContact CD1-CB 4.26Å
55	G	63	Low	62.2	Low	26 Å²	26	44.9 Å²	44.9	27%	0.268	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-41.9	173.3	0	0	0	0	0	112.8	I51 L52 S57 S58 I59	I51-G55 PolarHBondContact O-N 3.2Å; L52-G55 PolarHBondContact O-N 3.46Å; G55-S57 VanDerWaalsContact C-N 3.34Å; G55-S57 PolarHBondContact O-N 3.22Å; G55-S58 PolarHBondContact O-N 3.36Å; G55-S58 PolarHBondContact O-OG 2.7Å; G55-I59 WeakPolarHBondContact O-CD1 3.28Å; G55-I59 VanDerWaalsContact O-CG1 3.24Å; G55-I59 WeakPolarHBondContact O-CG1 3.26Å; G55-I59 PolarHBondContact O-N 2.94Å
56	A	63.2	Low	62.2	Low	39 Å²	39	47.8 Å²	47.8	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-41.5	174.4	0	0	0	0	0	111.4	L52 F53 S58 I59 L60	L52-A56 VanDerWaalsContact O-CB 3.31Å; L52-A56 WeakPolarHBondContact O-CB 3.4Å; L52-A56 PolarHBondContact O-N 3.45Å; F53-A56 PolarHBondContact O-N 3.18Å; A56-S58 PolarHBondContact O-N 2.97Å; A56-I59 PolarHBondContact O-N 3.32Å; A56-L60 WeakPolarHBondContact O-CB 3.35Å; A56-L60 VanDerWaalsContact O-CG 3.25Å; A56-L60 WeakPolarHBondContact O-CG 3.07Å; A56-L60 PolarHBondContact O-N 3.03Å
57	S	62.7	Low	61.9	Low	8 Å²	8	47.6 Å²	47.6	6%	0.056	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-41.5	177.3	80.9	0	0	0	0	111.9	F53 L54 G55 L60 I61	F53-S57 WeakPolarHBondContact O-CB 3.33Å; F53-S57 PolarHBondContact O-N 2.9Å; L54-S57 PolarHBondContact O-N 3.05Å; L54-S57 PolarHBondContact O-OG 2.87Å; G55-S57 VanDerWaalsContact C-N 3.34Å; G55-S57 PolarHBondContact O-N 3.22Å; S57-L60 PolarHBondContact O-N 3.24Å; S57-I61 VanDerWaalsContact O-CG1 3.28Å; S57-I61 WeakPolarHBondContact O-CG1 3.38Å; S57-I61 PolarHBondContact O-N 3.31Å
58	S	60	Low	61.6	Low	21 Å²	21	47.4 Å²	47.4	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-68.6	-41	179.1	67.6	0	0	0	0	111.7	L54 G55 A56 L60 I61 I62	L54-S58 PolarHBondContact O-N 3.37Å; G55-S58 PolarHBondContact O-N 3.36Å; G55-S58 PolarHBondContact O-OG 2.7Å; A56-S58 PolarHBondContact O-N 2.97Å; S58-L60 VanDerWaalsContact C-N 3.34Å; S58-L60 PolarHBondContact O-N 3.49Å; S58-I61 PolarHBondContact O-N 3.02Å; S58-I62 WeakPolarHBondContact O-CG1 3.44Å; S58-I62 PolarHBondContact O-N 2.83Å
59	I	64.4	Low	61.4	Low	105 Å²	105	47.9 Å²	47.9	54%	0.538	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-43.6	173.2	-66.6	165.4	0	0	0	110.6	G55 A56 I61 I62 V63	G55-I59 WeakPolarHBondContact O-CD1 3.28Å; G55-I59 VanDerWaalsContact O-CG1 3.24Å; G55-I59 WeakPolarHBondContact O-CG1 3.26Å; G55-I59 PolarHBondContact O-N 2.94Å; A56-I59 PolarHBondContact O-N 3.32Å; I59-I61 VanDerWaalsContact C-N 3.32Å; I59-I61 PolarHBondContact O-N 3.42Å; I59-I62 WeakPolarHBondContact O-CB 3.42Å; I59-I62 PolarHBondContact O-N 3.47Å; I59-I62 VanDerWaalsContact O-N 3.16Å; I59-V63 HydrophobicContact CG2-CG2 4.24Å; I59-V63 WeakPolarHBondContact O-CG2 3.35Å; I59-V63 PolarHBondContact O-N 3Å
60	L	61.7	Low	61.2	Low	35 Å²	35	50.3 Å²	50.3	18%	0.183	31%	0.308	C	S	.	.	H	α-helix	trans	-64.7	-36.2	178.8	-74.3	167.9	0	0	0	112.5	A56 S57 S58 V63 S64 M75 I78 L82	A56-L60 WeakPolarHBondContact O-CB 3.35Å; A56-L60 VanDerWaalsContact O-CG 3.25Å; A56-L60 WeakPolarHBondContact O-CG 3.07Å; A56-L60 PolarHBondContact O-N 3.03Å; S57-L60 PolarHBondContact O-N 3.24Å; S58-L60 VanDerWaalsContact C-N 3.34Å; S58-L60 PolarHBondContact O-N 3.49Å; L60-V63 PolarHBondContact O-N 3.16Å; L60-S64 WeakPolarHBondContact O-CB 3.25Å; L60-S64 PolarHBondContact O-N 3.42Å; L60-M75 HydrophobicContact CB-CE 4.09Å; L60-M75 HydrophobicContact CD2-CE 3.66Å; L60-M75 HydrophobicContact CD2-SD 4.35Å; L60-M75 HydrophobicContact CG-CE 4.5Å; L60-M75 WeakPolarHBondContact O-CE 3.39Å; L60-I78 HydrophobicContact CD1-CG2 3.71Å; L60-I78 HydrophobicContact CD2-CG2 4.28Å; L60-L82 HydrophobicContact CD1-CD1 3.11Å
61	I	60.5	Low	61.1	Low	7 Å²	7	57.8 Å²	57.8	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-63.2	-44.7	172.6	-67.6	163.6	0	0	0	110.1	S57 S58 I59 S64 I65	S57-I61 VanDerWaalsContact O-CG1 3.28Å; S57-I61 WeakPolarHBondContact O-CG1 3.38Å; S57-I61 PolarHBondContact O-N 3.31Å; S58-I61 PolarHBondContact O-N 3.02Å; I59-I61 VanDerWaalsContact C-N 3.32Å; I59-I61 PolarHBondContact O-N 3.42Å; I61-S64 PolarHBondContact O-N 3.28Å; I61-I65 HydrophobicContact CG2-CD1 3.9Å; I61-I65 WeakPolarHBondContact O-CB 3.44Å; I61-I65 VanDerWaalsContact O-CG1 3.32Å; I61-I65 WeakPolarHBondContact O-CG1 3.26Å; I61-I65 PolarHBondContact O-N 3.44Å
62	I	60.6	Low	61.1	Low	72 Å²	72	57.9 Å²	57.9	37%	0.369	34%	0.337	S	S	.	.	H	α-helix	trans	-59	-50.4	175.3	-65.6	166.3	0	0	0	110.6	F9 S58 I59 S64 I65 V66	F9-I62 HydrophobicContact CD2-CG1 4.44Å; F9-I62 HydrophobicContact CE2-CD1 3.9Å; F9-I62 HydrophobicContact CE2-CG1 3.5Å; F9-I62 HydrophobicContact CZ-CD1 4.1Å; F9-I62 HydrophobicContact CZ-CG1 4.05Å; S58-I62 WeakPolarHBondContact O-CG1 3.44Å; S58-I62 PolarHBondContact O-N 2.83Å; I59-I62 WeakPolarHBondContact O-CB 3.42Å; I59-I62 PolarHBondContact O-N 3.47Å; I59-I62 VanDerWaalsContact O-N 3.16Å; I62-S64 PolarHBondContact O-N 2.87Å; I62-I65 WeakPolarHBondContact O-CB 3.5Å; I62-I65 PolarHBondContact O-N 3.36Å; I62-I65 VanDerWaalsContact O-N 3.16Å; I62-V66 HydrophobicContact CG2-CG2 4.45Å; I62-V66 WeakPolarHBondContact O-CG2 3.44Å; I62-V66 PolarHBondContact O-N 3.44Å
63	V	60.9	Low	60.8	Low	59 Å²	59	60.1 Å²	60.1	36%	0.358	34%	0.341	S	S	.	.	H	α-helix	trans	-59	-39.8	179.1	171	0	0	0	0	110.5	I59 L60 V66 S67 M75	I59-V63 HydrophobicContact CG2-CG2 4.24Å; I59-V63 WeakPolarHBondContact O-CG2 3.35Å; I59-V63 PolarHBondContact O-N 3Å; L60-V63 PolarHBondContact O-N 3.16Å; V63-V66 PolarHBondContact O-N 2.91Å; V63-S67 WeakPolarHBondContact O-CB 3.47Å; V63-S67 PolarHBondContact O-N 3.31Å; V63-S67 PolarHBondContact O-OG 3.16Å; V63-M75 HydrophobicContact CB-CE 3.93Å; V63-M75 HydrophobicContact CG1-CE 3.77Å; V63-M75 HydrophobicContact CG1-SD 4.37Å
64	S	58.4	Low	60.7	Low	10 Å²	10	65.5 Å²	65.5	7%	0.07	37%	0.365	C	S	.	.	H	α-helix	trans	-73.3	-30.7	179.5	-163.9	0	0	0	0	113.6	L60 I61 I62 L127	L60-S64 WeakPolarHBondContact O-CB 3.25Å; L60-S64 PolarHBondContact O-N 3.42Å; I61-S64 PolarHBondContact O-N 3.28Å; I62-S64 PolarHBondContact O-N 2.87Å; S64-L127 VanDerWaalsContact CB-CD2 3.43Å; S64-L127 WeakPolarHBondContact OG-CD2 3.31Å
65	I	58.1	Low	60.6	Low	51 Å²	51	66.1 Å²	66.1	26%	0.262	37%	0.368	S	S	.	.	H	α-helix	trans	-64.2	-45.2	171.3	-77.9	166.5	0	0	0	110.2	M1 I61 I62	M1-I65 HydrophobicContact CE-CB 4.12Å; M1-I65 HydrophobicContact CE-CD1 3.83Å; M1-I65 HydrophobicContact CE-CG1 3.89Å; M1-I65 HydrophobicContact CE-CG2 3.15Å; M1-I65 HydrophobicContact SD-CG2 4.07Å; I61-I65 HydrophobicContact CG2-CD1 3.9Å; I61-I65 WeakPolarHBondContact O-CB 3.44Å; I61-I65 VanDerWaalsContact O-CG1 3.32Å; I61-I65 WeakPolarHBondContact O-CG1 3.26Å; I61-I65 PolarHBondContact O-N 3.44Å; I62-I65 WeakPolarHBondContact O-CB 3.5Å; I62-I65 PolarHBondContact O-N 3.36Å; I62-I65 VanDerWaalsContact O-N 3.16Å
66	V	62.8	Low	60.5	Low	116 Å²	116	66.2 Å²	66.2	70%	0.703	36%	0.362	S	S	*	.	H	α-helix	trans	-75.4	-34.8	-176.5	175.8	0	0	0	0	111.9	I62 V63 G68	I62-V66 HydrophobicContact CG2-CG2 4.45Å; I62-V66 WeakPolarHBondContact O-CG2 3.44Å; I62-V66 PolarHBondContact O-N 3.44Å; V63-V66 PolarHBondContact O-N 2.91Å; V66-G68 VanDerWaalsContact C-N 3.3Å; V66-G68 PolarHBondContact O-N 2.88Å
67	S	55.4	Low	60.5	Low	38 Å²	38	69.3 Å²	69.3	27%	0.266	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.5	-169.7	-62.9	0	0	0	0	115.7	V63	V63-S67 WeakPolarHBondContact O-CB 3.47Å; V63-S67 PolarHBondContact O-N 3.31Å; V63-S67 PolarHBondContact O-OG 3.16Å
68	G	56.1	Low	60.7	Low	29 Å²	29	72.4 Å²	72.4	30%	0.299	39%	0.387	S	S	.	.			trans	65.4	176.5	177.7	0	0	0	0	0	115	V66 S70	V66-G68 VanDerWaalsContact C-N 3.3Å; V66-G68 PolarHBondContact O-N 2.88Å; G68-S70 VanDerWaalsContact C-N 3.26Å; G68-S70 PolarHBondContact O-N 3.49Å; G68-S70 VanDerWaalsContact O-N 3.16Å
69	P	59.3	Low	60.9	Low	99 Å²	99	71.8 Å²	71.8	64%	0.643	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-66.6	-19.6	-167.5	24.2	-33.1	0	0	0	114.9	R71 T72	P69-R71 PolarHBondContact O-N 3.17Å; P69-T72 WeakPolarHBondContact O-CG2 3.21Å; P69-T72 PolarHBondContact O-OG1 2.91Å
70	S	60.2	Low	60.8	Low	110 Å²	110	70 Å²	70	77%	0.769	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-72.3	-24	-173.1	59.4	0	0	0	0	114.4	G68	G68-S70 VanDerWaalsContact C-N 3.26Å; G68-S70 PolarHBondContact O-N 3.49Å; G68-S70 VanDerWaalsContact O-N 3.16Å
71	R	60	Low	61	Low	169 Å²	169	72.8 Å²	72.8	64%	0.638	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-104.3	0.6	-179.4	-66.1	-170.3	177.3	-175.4	0.6	114.6	P69 K73 K74 M75	P69-R71 PolarHBondContact O-N 3.17Å; R71-K73 VanDerWaalsContact C-N 3.35Å; R71-K73 PolarHBondContact O-N 3.45Å; R71-K74 PolarHBondContact O-N 3.42Å; R71-M75 PolarHBondContact O-N 2.71Å
72	T	62.2	Low	61.2	Low	38 Å²	38	73.3 Å²	73.3	23%	0.233	39%	0.389	C	S	.	.	H	α-helix	trans	-55.3	-42.7	-174.8	50.5	0	0	0	0	113.4	P69 K74 M75 I76	P69-T72 WeakPolarHBondContact O-CG2 3.21Å; P69-T72 PolarHBondContact O-OG1 2.91Å; T72-K74 PolarHBondContact O-N 2.89Å; T72-M75 PolarHBondContact O-N 3.49Å; T72-I76 WeakPolarHBondContact O-CD1 3.46Å; T72-I76 WeakPolarHBondContact O-CG1 3.34Å; T72-I76 PolarHBondContact O-N 3.41Å
73	K	59.4	Low	61.4	Low	172 Å²	172	71.1 Å²	71.1	75%	0.748	38%	0.378	S	S	*	.	H	α-helix	trans	-59.4	-43.1	-177.9	-65.2	-173.7	-179.9	-177.4	0	113.5	R71 I77	R71-K73 VanDerWaalsContact C-N 3.35Å; R71-K73 PolarHBondContact O-N 3.45Å; K73-I77 WeakPolarHBondContact O-CG1 3.32Å; K73-I77 PolarHBondContact O-N 2.87Å
74	K	62.2	Low	61.6	Low	166 Å²	166	73.9 Å²	73.9	72%	0.722	39%	0.39	S	S	*	.	H	α-helix	trans	-70.3	-39.4	178.4	-67	-173.2	180	-175.9	0	111.4	R71 T72 I77 I78	R71-K74 PolarHBondContact O-N 3.42Å; T72-K74 PolarHBondContact O-N 2.89Å; K74-I77 PolarHBondContact O-N 2.88Å; K74-I78 WeakPolarHBondContact O-CG1 3.48Å; K74-I78 PolarHBondContact O-N 3.19Å
75	M	61.4	Low	61.9	Low	19 Å²	19	77.1 Å²	77.1	9%	0.094	41%	0.406	C	S	.	.	H	α-helix	trans	-64.8	-40	177.5	-65.7	-64	-73.4	0	0	111.8	L60 V63 R71 T72 I77 I78 V79	L60-M75 HydrophobicContact CB-CE 4.09Å; L60-M75 HydrophobicContact CD2-CE 3.66Å; L60-M75 HydrophobicContact CD2-SD 4.35Å; L60-M75 HydrophobicContact CG-CE 4.5Å; L60-M75 WeakPolarHBondContact O-CE 3.39Å; V63-M75 HydrophobicContact CB-CE 3.93Å; V63-M75 HydrophobicContact CG1-CE 3.77Å; V63-M75 HydrophobicContact CG1-SD 4.37Å; R71-M75 PolarHBondContact O-N 2.71Å; T72-M75 PolarHBondContact O-N 3.49Å; M75-I77 VanDerWaalsContact C-N 3.33Å; M75-I77 PolarHBondContact O-N 2.93Å; M75-I78 PolarHBondContact O-N 3.43Å; M75-V79 VanDerWaalsContact O-CG2 3.28Å; M75-V79 WeakPolarHBondContact O-CG2 3.48Å; M75-V79 PolarHBondContact O-N 3.28Å
76	I	62.1	Low	62.2	Low	27 Å²	27	75 Å²	75	14%	0.138	40%	0.396	C	S	.	.	H	α-helix	trans	-59.6	-44.1	176.5	-69	161.8	0	0	0	110.9	T72 I78 V79 M80 L124 L127 Y128	T72-I76 WeakPolarHBondContact O-CD1 3.46Å; T72-I76 WeakPolarHBondContact O-CG1 3.34Å; T72-I76 PolarHBondContact O-N 3.41Å; I76-I78 VanDerWaalsContact C-N 3.34Å; I76-I78 PolarHBondContact O-N 2.72Å; I76-V79 PolarHBondContact O-N 2.83Å; I76-M80 HydrophobicContact CG2-CG 4.34Å; I76-M80 WeakPolarHBondContact O-CB 3.38Å; I76-M80 VanDerWaalsContact O-CG 3.28Å; I76-M80 WeakPolarHBondContact O-CG 3.46Å; I76-M80 PolarHBondContact O-N 3.38Å; I76-L124 HydrophobicContact CG2-CD2 4.42Å; I76-L127 HydrophobicContact CG1-CB 4.42Å; I76-L127 HydrophobicContact CG1-CD1 4.23Å; I76-Y128 HydrophobicContact CD1-CE2 4.32Å; I76-Y128 HydrophobicContact CG2-CE2 4.13Å
77	I	62.8	Low	62.1	Low	104 Å²	104	72.8 Å²	72.8	53%	0.533	38%	0.379	S	S	.	.	H	α-helix	trans	-60.8	-45.3	177.9	-65.3	167.1	0	0	0	110.7	K73 K74 M75 V79 M80 I81	K73-I77 WeakPolarHBondContact O-CG1 3.32Å; K73-I77 PolarHBondContact O-N 2.87Å; K74-I77 PolarHBondContact O-N 2.88Å; M75-I77 VanDerWaalsContact C-N 3.33Å; M75-I77 PolarHBondContact O-N 2.93Å; I77-V79 PolarHBondContact O-N 2.83Å; I77-M80 WeakPolarHBondContact O-CB 3.18Å; I77-M80 PolarHBondContact O-N 2.94Å; I77-I81 HydrophobicContact CG2-CD1 3.97Å; I77-I81 WeakPolarHBondContact O-CG1 3.44Å; I77-I81 PolarHBondContact O-N 3.34Å
78	I	65.5	Low	62.4	Low	73 Å²	73	72.8 Å²	72.8	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-62.4	-44.4	178.8	-64.2	167.3	0	0	0	110.6	L60 K74 M75 I76 M80 I81 L82	L60-I78 HydrophobicContact CD1-CG2 3.71Å; L60-I78 HydrophobicContact CD2-CG2 4.28Å; K74-I78 WeakPolarHBondContact O-CG1 3.48Å; K74-I78 PolarHBondContact O-N 3.19Å; M75-I78 PolarHBondContact O-N 3.43Å; I76-I78 VanDerWaalsContact C-N 3.34Å; I76-I78 PolarHBondContact O-N 2.72Å; I78-M80 VanDerWaalsContact C-N 3.33Å; I78-M80 PolarHBondContact O-N 3.3Å; I78-I81 PolarHBondContact O-N 3.46Å; I78-L82 HydrophobicContact CG2-CD1 3.91Å; I78-L82 WeakPolarHBondContact O-CD1 3.16Å; I78-L82 WeakPolarHBondContact O-CG 3.43Å; I78-L82 PolarHBondContact O-N 3.4Å
79	V	65.3	Low	62.8	Low	8 Å²	8	74.3 Å²	74.3	5%	0.048	38%	0.383	C	S	.	.	H	α-helix	trans	-65.1	-37	178	177.5	0	0	0	0	111.4	M75 I76 I77 L82 L83 I120 L124 L127	M75-V79 VanDerWaalsContact O-CG2 3.28Å; M75-V79 WeakPolarHBondContact O-CG2 3.48Å; M75-V79 PolarHBondContact O-N 3.28Å; I76-V79 PolarHBondContact O-N 2.83Å; I77-V79 PolarHBondContact O-N 2.83Å; V79-L82 PolarHBondContact O-N 3.46Å; V79-L83 WeakPolarHBondContact O-CB 3.07Å; V79-L83 PolarHBondContact O-N 2.73Å; V79-I120 HydrophobicContact CG1-CG2 3.79Å; V79-L124 HydrophobicContact CB-CD2 3.96Å; V79-L124 HydrophobicContact CG1-CD1 4.1Å; V79-L124 HydrophobicContact CG1-CD2 3.52Å; V79-L124 HydrophobicContact CG1-CG 3.57Å; V79-L127 HydrophobicContact CG2-CD1 4.2Å
80	M	61.9	Low	63	Low	69 Å²	69	70.2 Å²	70.2	34%	0.34	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-43.2	173.6	-76.8	-69.4	158.6	0	0	112.3	I76 I77 I78 L82 L83 I84 L124	I76-M80 HydrophobicContact CG2-CG 4.34Å; I76-M80 WeakPolarHBondContact O-CB 3.38Å; I76-M80 VanDerWaalsContact O-CG 3.28Å; I76-M80 WeakPolarHBondContact O-CG 3.46Å; I76-M80 PolarHBondContact O-N 3.38Å; I77-M80 WeakPolarHBondContact O-CB 3.18Å; I77-M80 PolarHBondContact O-N 2.94Å; I78-M80 VanDerWaalsContact C-N 3.33Å; I78-M80 PolarHBondContact O-N 3.3Å; M80-L82 VanDerWaalsContact C-N 3.32Å; M80-L82 PolarHBondContact O-N 2.99Å; M80-L83 WeakPolarHBondContact O-CB 3.44Å; M80-L83 PolarHBondContact O-N 2.89Å; M80-L83 HydrophobicContact SD-CD2 4.37Å; M80-I84 VanDerWaalsContact O-CG1 3.32Å; M80-I84 WeakPolarHBondContact O-CG1 2.97Å; M80-I84 PolarHBondContact O-N 3.3Å; M80-L124 HydrophobicContact CE-CD1 3.31Å; M80-L124 HydrophobicContact CE-CD2 3.59Å; M80-L124 HydrophobicContact CE-CG 4Å; M80-L124 HydrophobicContact SD-CD1 4.19Å
81	I	65.8	Low	63	Low	92 Å²	92	68.1 Å²	68.1	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-61.3	-44.2	175.5	-67.6	165.1	0	0	0	110.3	I77 I78 L83 I84 L85	I77-I81 HydrophobicContact CG2-CD1 3.97Å; I77-I81 WeakPolarHBondContact O-CG1 3.44Å; I77-I81 PolarHBondContact O-N 3.34Å; I78-I81 PolarHBondContact O-N 3.46Å; I81-L83 VanDerWaalsContact C-N 3.33Å; I81-L83 PolarHBondContact O-N 2.95Å; I81-I84 PolarHBondContact O-N 2.87Å; I81-L85 HydrophobicContact CG2-CD1 4.13Å; I81-L85 WeakPolarHBondContact O-CG 3.48Å; I81-L85 PolarHBondContact O-N 2.86Å
82	L	65.6	Low	63	Low	19 Å²	19	62.8 Å²	62.8	10%	0.099	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-38.7	176.2	-77.4	156.9	0	0	0	112.6	F53 L60 I78 V79 M80 L85 T86	F53-L82 HydrophobicContact CD1-CD2 3.42Å; F53-L82 VanDerWaalsContact CD1-CD2 3.42Å; F53-L82 HydrophobicContact CE1-CD2 3.72Å; L60-L82 HydrophobicContact CD1-CD1 3.11Å; I78-L82 HydrophobicContact CG2-CD1 3.91Å; I78-L82 WeakPolarHBondContact O-CD1 3.16Å; I78-L82 WeakPolarHBondContact O-CG 3.43Å; I78-L82 PolarHBondContact O-N 3.4Å; V79-L82 PolarHBondContact O-N 3.46Å; M80-L82 VanDerWaalsContact C-N 3.32Å; M80-L82 PolarHBondContact O-N 2.99Å; L82-L85 PolarHBondContact O-N 2.92Å; L82-T86 WeakPolarHBondContact O-CB 3.46Å; L82-T86 PolarHBondContact O-N 3.48Å; L82-T86 PolarHBondContact O-OG1 2.85Å
83	L	64.4	Low	63	Low	26 Å²	26	61.7 Å²	61.7	14%	0.136	33%	0.326	C	S	.	.	H	α-helix	trans	-60.5	-49.1	174.5	-176	67.5	0	0	0	110.6	V79 M80 I81 L85 T86 I87 I120 P121 L124	V79-L83 WeakPolarHBondContact O-CB 3.07Å; V79-L83 PolarHBondContact O-N 2.73Å; M80-L83 WeakPolarHBondContact O-CB 3.44Å; M80-L83 PolarHBondContact O-N 2.89Å; M80-L83 HydrophobicContact SD-CD2 4.37Å; I81-L83 VanDerWaalsContact C-N 3.33Å; I81-L83 PolarHBondContact O-N 2.95Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 2.98Å; L83-T86 PolarHBondContact O-N 2.86Å; L83-I87 HydrophobicContact CD1-CD1 4.15Å; L83-I87 HydrophobicContact CD1-CG1 4.48Å; L83-I87 HydrophobicContact CD2-CD1 4.47Å; L83-I87 HydrophobicContact CG-CD1 3.84Å; L83-I87 VanDerWaalsContact O-CG1 3.28Å; L83-I87 WeakPolarHBondContact O-CG1 3.4Å; L83-I87 PolarHBondContact O-N 3.29Å; L83-I120 HydrophobicContact CB-CG2 3.65Å; L83-I120 HydrophobicContact CD1-CB 3.59Å; L83-I120 HydrophobicContact CD1-CD1 4.23Å; L83-I120 HydrophobicContact CD1-CG2 3.54Å; L83-I120 HydrophobicContact CG-CG2 4.11Å; L83-P121 HydrophobicContact CD1-CG 4.08Å; L83-L124 HydrophobicContact CD2-CD1 4.11Å
84	I	63.8	Low	63	Low	117 Å²	117	56 Å²	56	60%	0.6	30%	0.303	S	S	*	.	H	α-helix	trans	-60.6	-45.2	179.7	-66.3	164.6	0	0	0	110.6	M80 I81 T86 I87 G88	M80-I84 VanDerWaalsContact O-CG1 3.32Å; M80-I84 WeakPolarHBondContact O-CG1 2.97Å; M80-I84 PolarHBondContact O-N 3.3Å; I81-I84 PolarHBondContact O-N 2.87Å; I84-T86 PolarHBondContact O-N 3.02Å; I84-I87 PolarHBondContact O-N 3.28Å; I84-G88 PolarHBondContact O-N 3.27Å
85	L	65	Low	62.9	Low	77 Å²	77	52.7 Å²	52.7	40%	0.403	30%	0.297	S	S	.	.	H	α-helix	trans	-60.7	-45.6	176.4	-72.3	171	0	0	0	111.4	F53 I81 L82 L83 I87 G88 F89	F53-L85 HydrophobicContact CE1-CD1 4.01Å; F53-L85 HydrophobicContact CZ-CD1 4.19Å; I81-L85 HydrophobicContact CG2-CD1 4.13Å; I81-L85 WeakPolarHBondContact O-CG 3.48Å; I81-L85 PolarHBondContact O-N 2.86Å; L82-L85 PolarHBondContact O-N 2.92Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 2.98Å; L85-I87 PolarHBondContact O-N 3.43Å; L85-G88 WeakPolarHBondContact O-CA 3.49Å; L85-G88 PolarHBondContact O-N 3.29Å; L85-G88 VanDerWaalsContact O-N 3.16Å; L85-F89 VanDerWaalsContact O-CD2 3.26Å; L85-F89 WeakPolarHBondContact O-CD2 3.41Å; L85-F89 PolarHBondContact O-N 3.3Å
86	T	65.2	Low	62.6	Low	8 Å²	8	55.4 Å²	55.4	5%	0.049	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-41.2	-179.7	-52.7	0	0	0	0	111.8	L82 L83 I84 G88 F89 L90 V117 I120	L82-T86 WeakPolarHBondContact O-CB 3.46Å; L82-T86 PolarHBondContact O-N 3.48Å; L82-T86 PolarHBondContact O-OG1 2.85Å; L83-T86 PolarHBondContact O-N 2.86Å; I84-T86 PolarHBondContact O-N 3.02Å; T86-G88 VanDerWaalsContact C-N 3.34Å; T86-F89 PolarHBondContact O-N 3.41Å; T86-L90 PolarHBondContact O-N 3.45Å; T86-V117 HydrophobicContact CG2-CG2 3.91Å; T86-I120 HydrophobicContact CG2-CD1 3.89Å; T86-I120 VanDerWaalsContact OG1-CD1 3.26Å; T86-I120 WeakPolarHBondContact OG1-CD1 3.14Å
87	I	60.9	Low	62.3	Low	69 Å²	69	56 Å²	56	35%	0.354	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-42.4	172.9	-68.1	168.5	0	0	0	110.3	L83 I84 L85 F89 L90 C91 V117	L83-I87 HydrophobicContact CD1-CD1 4.15Å; L83-I87 HydrophobicContact CD1-CG1 4.48Å; L83-I87 HydrophobicContact CD2-CD1 4.47Å; L83-I87 HydrophobicContact CG-CD1 3.84Å; L83-I87 VanDerWaalsContact O-CG1 3.28Å; L83-I87 WeakPolarHBondContact O-CG1 3.4Å; L83-I87 PolarHBondContact O-N 3.29Å; I84-I87 PolarHBondContact O-N 3.28Å; L85-I87 PolarHBondContact O-N 3.43Å; I87-F89 VanDerWaalsContact C-N 3.33Å; I87-F89 PolarHBondContact O-N 2.99Å; I87-L90 WeakPolarHBondContact O-CB 3.24Å; I87-L90 PolarHBondContact O-N 3.3Å; I87-L90 VanDerWaalsContact O-N 3.17Å; I87-C91 PolarHBondContact O-N 3.43Å; I87-C91 PolarHBondContact O-SG 2.98Å; I87-C91 VanDerWaalsContact O-SG 3.42Å; I87-V117 HydrophobicContact CG1-CG1 4.27Å; I87-V117 HydrophobicContact CG1-CG2 4.16Å
88	G	62	Low	62	Low	37 Å²	37	59.4 Å²	59.4	38%	0.381	32%	0.321	S	S	.	.	H	α-helix	trans	-58.1	-44.5	174.9	0	0	0	0	0	112.4	I84 L85 T86 C91 A92	I84-G88 PolarHBondContact O-N 3.27Å; L85-G88 WeakPolarHBondContact O-CA 3.49Å; L85-G88 PolarHBondContact O-N 3.29Å; L85-G88 VanDerWaalsContact O-N 3.16Å; T86-G88 VanDerWaalsContact C-N 3.34Å; G88-C91 PolarHBondContact O-N 3.45Å; G88-A92 PolarHBondContact O-N 3.14Å
89	F	64.2	Low	61.9	Low	62 Å²	62	60.6 Å²	60.6	27%	0.272	33%	0.332	S	S	.	.	H	α-helix	trans	-65.3	-37.6	174.1	-86	-73.7	0	0	0	112.9	L46 I49 F53 L85 T86 I87 S93 L113	L46-F89 HydrophobicContact CD2-CD1 3.84Å; L46-F89 HydrophobicContact CD2-CE1 4.35Å; I49-F89 HydrophobicContact CG2-CE1 4.15Å; I49-F89 HydrophobicContact CG2-CE2 4.16Å; I49-F89 HydrophobicContact CG2-CZ 3.79Å; F53-F89 HydrophobicContact CD2-CE2 4.4Å; F53-F89 HydrophobicContact CE2-CD2 4.22Å; F53-F89 AromaticContact CE2-CE2 3.66Å; F53-F89 HydrophobicContact CE2-CE2 3.66Å; F53-F89 HydrophobicContact CE2-CZ 4.37Å; F53-F89 HydrophobicContact CZ-CE2 4.32Å; L85-F89 VanDerWaalsContact O-CD2 3.26Å; L85-F89 WeakPolarHBondContact O-CD2 3.41Å; L85-F89 PolarHBondContact O-N 3.3Å; T86-F89 PolarHBondContact O-N 3.41Å; I87-F89 VanDerWaalsContact C-N 3.33Å; I87-F89 PolarHBondContact O-N 2.99Å; F89-S93 WeakPolarHBondContact O-CB 3.38Å; F89-S93 PolarHBondContact O-N 2.88Å; F89-S93 PolarHBondContact O-OG 2.98Å; F89-L113 HydrophobicContact CB-CD2 4.33Å
90	L	62.8	Low	61.4	Low	12 Å²	12	61.9 Å²	61.9	6%	0.063	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-48.8	172.7	-180	70.3	0	0	0	110.7	T86 I87 A92 S93 I94 F110 L113 W114 V117	T86-L90 PolarHBondContact O-N 3.45Å; I87-L90 WeakPolarHBondContact O-CB 3.24Å; I87-L90 PolarHBondContact O-N 3.3Å; I87-L90 VanDerWaalsContact O-N 3.17Å; L90-A92 PolarHBondContact O-N 3.23Å; L90-S93 PolarHBondContact O-N 2.9Å; L90-I94 HydrophobicContact CD1-CD1 4.39Å; L90-I94 HydrophobicContact CG-CD1 3.99Å; L90-I94 VanDerWaalsContact O-CG1 3.31Å; L90-I94 WeakPolarHBondContact O-CG1 3.19Å; L90-I94 PolarHBondContact O-N 3.48Å; L90-F110 HydrophobicContact CD1-CD2 4.25Å; L90-F110 HydrophobicContact CD1-CE2 4.34Å; L90-L113 HydrophobicContact CB-CB 4.28Å; L90-L113 HydrophobicContact CD1-CB 3.4Å; L90-L113 HydrophobicContact CD1-CD1 4.45Å; L90-L113 HydrophobicContact CG-CB 4.43Å; L90-W114 HydrophobicContact CD2-CE3 4.21Å; L90-V117 HydrophobicContact CB-CG2 4.18Å; L90-V117 HydrophobicContact CD2-CB 4.39Å; L90-V117 HydrophobicContact CD2-CG2 3.8Å
91	C	60.7	Low	61	Low	67 Å²	67	66 Å²	66	45%	0.453	36%	0.359	S	S	.	.	H	α-helix	trans	-59.7	-46.5	177.5	-71.7	0	0	0	0	112	I87 G88 S93 I94 V95	I87-C91 PolarHBondContact O-N 3.43Å; I87-C91 PolarHBondContact O-SG 2.98Å; I87-C91 VanDerWaalsContact O-SG 3.42Å; G88-C91 PolarHBondContact O-N 3.45Å; C91-S93 VanDerWaalsContact C-N 3.26Å; C91-S93 PolarHBondContact O-N 3.36Å; C91-I94 PolarHBondContact O-N 2.96Å; C91-V95 WeakPolarHBondContact O-CG2 3.31Å; C91-V95 PolarHBondContact O-N 2.85Å
92	A	59.8	Low	60.7	Low	56 Å²	56	67 Å²	67	46%	0.463	37%	0.365	S	S	.	.	H	α-helix	trans	-59.1	-40.5	176.3	0	0	0	0	0	111.7	G88 L90 V95 Y96	G88-A92 PolarHBondContact O-N 3.14Å; L90-A92 PolarHBondContact O-N 3.23Å; A92-V95 PolarHBondContact O-N 3.36Å; A92-Y96 WeakPolarHBondContact O-CB 3.35Å; A92-Y96 PolarHBondContact O-N 2.83Å
93	S	61.7	Low	60.2	Low	15 Å²	15	72 Å²	72	11%	0.105	39%	0.388	C	S	.	.	H	α-helix	trans	-70.3	-35.1	178.7	-58.4	0	0	0	0	112.8	F89 L90 C91 Y96 M97 L113	F89-S93 WeakPolarHBondContact O-CB 3.38Å; F89-S93 PolarHBondContact O-N 2.88Å; F89-S93 PolarHBondContact O-OG 2.98Å; L90-S93 PolarHBondContact O-N 2.9Å; C91-S93 VanDerWaalsContact C-N 3.26Å; C91-S93 PolarHBondContact O-N 3.36Å; S93-Y96 PolarHBondContact O-N 3.24Å; S93-M97 WeakPolarHBondContact O-CB 3.29Å; S93-M97 PolarHBondContact O-N 3.18Å; S93-L113 WeakPolarHBondContact OG-CD1 3.24Å
94	I	59.9	Low	59.8	Low	52 Å²	52	74.8 Å²	74.8	27%	0.267	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-49.4	172.7	-69.3	165.9	0	0	0	110.2	L90 C91 Y96 M97 F98 F110	L90-I94 HydrophobicContact CD1-CD1 4.39Å; L90-I94 HydrophobicContact CG-CD1 3.99Å; L90-I94 VanDerWaalsContact O-CG1 3.31Å; L90-I94 WeakPolarHBondContact O-CG1 3.19Å; L90-I94 PolarHBondContact O-N 3.48Å; C91-I94 PolarHBondContact O-N 2.96Å; I94-Y96 PolarHBondContact O-N 2.9Å; I94-M97 WeakPolarHBondContact O-CB 3.47Å; I94-M97 PolarHBondContact O-N 2.78Å; I94-M97 VanDerWaalsContact O-N 3.14Å; I94-F98 HydrophobicContact CG2-CD2 4.03Å; I94-F98 HydrophobicContact CG2-CE2 3.65Å; I94-F98 WeakPolarHBondContact O-CD2 3.42Å; I94-F98 PolarHBondContact O-N 3.49Å; I94-F110 HydrophobicContact CD1-CD2 4.45Å; I94-F110 HydrophobicContact CD1-CE2 3.93Å; I94-F110 HydrophobicContact CG1-CD2 3.86Å; I94-F110 HydrophobicContact CG1-CE2 3.8Å
95	V	59.6	Low	59.4	Low	98 Å²	98	71.6 Å²	71.6	59%	0.594	39%	0.391	S	S	*	.	H	α-helix	trans	-57.4	-41.8	177.6	173.9	0	0	0	0	110.1	C91 A92 F98 T99	C91-V95 WeakPolarHBondContact O-CG2 3.31Å; C91-V95 PolarHBondContact O-N 2.85Å; A92-V95 PolarHBondContact O-N 3.36Å; V95-F98 PolarHBondContact O-N 3.37Å; V95-T99 PolarHBondContact O-N 2.89Å
96	Y	55.5	Low	59	Low	75 Å²	75	68.5 Å²	68.5	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-68	-36.8	178.6	-156	-94.1	0	0	0	113.3	H43 A92 S93 I94 F98 T99 Q100	H43-Y96 AromaticContact CE1-CD1 3.58Å; H43-Y96 AromaticContact CE1-CE1 3.31Å; H43-Y96 WeakPolarHBondContact CE1-CE1 3.33Å; H43-Y96 AromaticContact NE2-CE1 3.52Å; A92-Y96 WeakPolarHBondContact O-CB 3.35Å; A92-Y96 PolarHBondContact O-N 2.83Å; S93-Y96 PolarHBondContact O-N 3.24Å; I94-Y96 PolarHBondContact O-N 2.9Å; Y96-F98 PolarHBondContact O-N 2.8Å; Y96-T99 WeakPolarHBondContact CA-OG1 3.47Å; Y96-T99 PolarHBondContact O-N 3.28Å; Y96-T99 PolarHBondContact O-OG1 3.44Å; Y96-Q100 HydrophobicContact CD1-CG 4.21Å; Y96-Q100 VanDerWaalsContact CE1-CD 3.41Å; Y96-Q100 HydrophobicContact CE1-CG 3.77Å; Y96-Q100 PolarHBondContact O-N 3.33Å; Y96-Q100 PolarHBondContact OH-NE2 3.39Å
97	M	56.5	Low	58.6	Low	40 Å²	40	74 Å²	74	20%	0.197	40%	0.4	C	S	.	.	H	α-helix	trans	-50.4	-42.9	171.2	-130.3	-71.4	-167.9	0	0	111.5	S93 I94 T99 A106 F107	S93-M97 WeakPolarHBondContact O-CB 3.29Å; S93-M97 PolarHBondContact O-N 3.18Å; I94-M97 WeakPolarHBondContact O-CB 3.47Å; I94-M97 PolarHBondContact O-N 2.78Å; I94-M97 VanDerWaalsContact O-N 3.14Å; M97-T99 VanDerWaalsContact C-N 3.33Å; M97-A106 HydrophobicContact CB-CB 4.31Å; M97-A106 HydrophobicContact CE-CB 3.84Å; M97-A106 HydrophobicContact CG-CB 3.5Å; M97-A106 VanDerWaalsContact CG-CB 3.5Å; M97-A106 HydrophobicContact SD-CB 3.47Å; M97-A106 WeakPolarHBondContact SD-CB 3.46Å; M97-F107 VanDerWaalsContact CE-CA 3.44Å; M97-F107 HydrophobicContact CE-CB 3.97Å
98	F	56.5	Low	58.4	Low	176 Å²	176	76.3 Å²	76.3	77%	0.772	40%	0.404	S	S	*	.	H	α-helix	trans	-76.5	-19.4	-179.7	-74	-72.9	0	0	0	113.5	I94 V95 Y96	I94-F98 HydrophobicContact CG2-CD2 4.03Å; I94-F98 HydrophobicContact CG2-CE2 3.65Å; I94-F98 WeakPolarHBondContact O-CD2 3.42Å; I94-F98 PolarHBondContact O-N 3.49Å; V95-F98 PolarHBondContact O-N 3.37Å; Y96-F98 PolarHBondContact O-N 2.8Å
99	T	62.5	Low	58.3	Low	98 Å²	98	75.9 Å²	75.9	60%	0.601	39%	0.393	S	S	*	.	H	α-helix	trans	-89	-16.7	179	58.4	0	0	0	0	114.1	V95 Y96 M97	V95-T99 PolarHBondContact O-N 2.89Å; Y96-T99 WeakPolarHBondContact CA-OG1 3.47Å; Y96-T99 PolarHBondContact O-N 3.28Å; Y96-T99 PolarHBondContact O-OG1 3.44Å; M97-T99 VanDerWaalsContact C-N 3.33Å
100	Q	55.5	Low	58.2	Low	34 Å²	34	76.1 Å²	76.1	16%	0.159	39%	0.394	C	S	.	.			trans	-119.5	133.1	-176.7	-66.7	-148	-24.7	0	0	113.3	E39 Y96 N102	E39-Q100 PolarHBondContact OE1-NE2 3.24Å; E39-Q100 PolarHBondContact OE2-NE2 3.34Å; Y96-Q100 HydrophobicContact CD1-CG 4.21Å; Y96-Q100 VanDerWaalsContact CE1-CD 3.41Å; Y96-Q100 HydrophobicContact CE1-CG 3.77Å; Y96-Q100 PolarHBondContact O-N 3.33Å; Y96-Q100 PolarHBondContact OH-NE2 3.39Å; Q100-N102 PolarHBondContact O-N 3.02Å
101	I	53.7	Low	58	Low	156 Å²	156	77.7 Å²	77.7	80%	0.8	41%	0.406	S	S	*	.	S	Bend	trans	-72.2	-11.8	-175.5	-66.3	165.9	0	0	0	113	H103	I101-H103 VanDerWaalsContact C-N 3.29Å; I101-H103 PolarHBondContact O-CD2 3.01Å; I101-H103 PolarHBondContact O-N 3.36Å
102	N	58	Low	57.9	Low	114 Å²	114	75.3 Å²	75.3	61%	0.61	39%	0.39	S	S	*	.			trans	-82.8	71.4	176.9	-94.3	-19.3	0	0	0	112.2	Q100 S104 F105 A106	Q100-N102 PolarHBondContact O-N 3.02Å; N102-S104 PolarHBondContact O-N 2.93Å; N102-F105 PolarHBondContact O-N 3.27Å; N102-A106 PolarHBondContact O-N 3.29Å
103	H	55.9	Low	58	Low	124 Å²	124	72.9 Å²	72.9	57%	0.574	37%	0.369	S	S	*	.	H	α-helix	trans	-55.2	-32.5	179.5	-67.3	-66.5	0	0	0	114.2	I101 F107	I101-H103 VanDerWaalsContact C-N 3.29Å; I101-H103 PolarHBondContact O-CD2 3.01Å; I101-H103 PolarHBondContact O-N 3.36Å; H103-F107 VanDerWaalsContact O-CB 3.29Å; H103-F107 WeakPolarHBondContact O-CB 3.22Å; H103-F107 PolarHBondContact O-N 3.41Å
104	S	55.8	Low	58.1	Low	83 Å²	83	78.8 Å²	78.8	58%	0.58	39%	0.389	S	S	*	.	H	α-helix	trans	-64.3	-46.4	-177.9	56.7	0	0	0	0	111.7	N102	N102-S104 PolarHBondContact O-N 2.93Å
105	F	55.1	Low	58	Low	51 Å²	51	78.1 Å²	78.1	22%	0.224	39%	0.386	C	S	.	.	H	α-helix	trans	-75.2	-38.2	-177.7	-175	-98.1	0	0	0	112.1	L26 H43 N102 F107 W108 I109	L26-F105 HydrophobicContact CD1-CE2 4.49Å; H43-F105 HydrophobicContact CB-CE1 3.42Å; H43-F105 VanDerWaalsContact CB-CE1 3.42Å; H43-F105 HydrophobicContact CB-CZ 3.69Å; H43-F105 AromaticContact CD2-CE1 3.56Å; H43-F105 AromaticContact CG-CE1 3.36Å; H43-F105 AromaticContact ND1-CE1 3.73Å; N102-F105 PolarHBondContact O-N 3.27Å; F105-F107 VanDerWaalsContact C-N 3.27Å; F105-F107 PolarHBondContact O-N 2.68Å; F105-W108 PolarHBondContact O-N 3.49Å; F105-I109 HydrophobicContact CD1-CD1 4.03Å; F105-I109 HydrophobicContact CE1-CD1 3.51Å; F105-I109 HydrophobicContact CE1-CG1 4.3Å; F105-I109 HydrophobicContact CZ-CD1 4.21Å; F105-I109 PolarHBondContact O-N 3.26Å
106	A	56.3	Low	58	Low	11 Å²	11	73.6 Å²	73.6	9%	0.091	36%	0.359	C	S	.	.	H	α-helix	trans	-66.3	-30.9	177.5	0	0	0	0	0	112	M97 N102 I109 F110	M97-A106 HydrophobicContact CB-CB 4.31Å; M97-A106 HydrophobicContact CE-CB 3.84Å; M97-A106 HydrophobicContact CG-CB 3.5Å; M97-A106 VanDerWaalsContact CG-CB 3.5Å; M97-A106 HydrophobicContact SD-CB 3.47Å; M97-A106 WeakPolarHBondContact SD-CB 3.46Å; N102-A106 PolarHBondContact O-N 3.29Å; A106-I109 PolarHBondContact O-N 2.9Å; A106-F110 WeakPolarHBondContact O-CB 3.26Å; A106-F110 PolarHBondContact O-N 3.45Å
107	F	57.6	Low	58.2	Low	123 Å²	123	71.3 Å²	71.3	54%	0.539	35%	0.352	S	S	.	.	H	α-helix	trans	-63.5	-39.2	173.9	179.9	-95.4	0	0	0	112.6	M97 H103 F105 F110 S111	M97-F107 VanDerWaalsContact CE-CA 3.44Å; M97-F107 HydrophobicContact CE-CB 3.97Å; H103-F107 VanDerWaalsContact O-CB 3.29Å; H103-F107 WeakPolarHBondContact O-CB 3.22Å; H103-F107 PolarHBondContact O-N 3.41Å; F105-F107 VanDerWaalsContact C-N 3.27Å; F105-F107 PolarHBondContact O-N 2.68Å; F107-F110 WeakPolarHBondContact O-CB 3.4Å; F107-F110 PolarHBondContact O-N 3.21Å; F107-S111 WeakPolarHBondContact O-CB 3.31Å; F107-S111 PolarHBondContact O-N 3.01Å
108	W	56.5	Low	58.5	Low	119 Å²	119	71.9 Å²	71.9	45%	0.451	36%	0.358	S	S	.	.	H	α-helix	trans	-67.4	-39.1	177.5	-72.3	105.2	0	0	0	112.6	V22 F105 S111 S112	V22-W108 HydrophobicContact CG1-CE3 3.73Å; V22-W108 HydrophobicContact CG1-CZ3 4.19Å; V22-W108 HydrophobicContact CG2-CE3 4.39Å; V22-W108 HydrophobicContact CG2-CZ3 4.11Å; F105-W108 PolarHBondContact O-N 3.49Å; W108-S111 PolarHBondContact O-N 3.26Å; W108-S112 WeakPolarHBondContact O-CB 3.47Å; W108-S112 PolarHBondContact O-N 2.88Å
109	I	60.9	Low	58.6	Low	28 Å²	28	63.7 Å²	63.7	14%	0.144	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-44.6	173.9	-66.8	176	0	0	0	110.2	H43 F105 A106 S111 S112 L113	H43-I109 HydrophobicContact CB-CD1 4.12Å; H43-I109 WeakPolarHBondContact ND1-CD1 3.5Å; F105-I109 HydrophobicContact CD1-CD1 4.03Å; F105-I109 HydrophobicContact CE1-CD1 3.51Å; F105-I109 HydrophobicContact CE1-CG1 4.3Å; F105-I109 HydrophobicContact CZ-CD1 4.21Å; F105-I109 PolarHBondContact O-N 3.26Å; A106-I109 PolarHBondContact O-N 2.9Å; I109-S111 VanDerWaalsContact C-N 3.33Å; I109-S111 PolarHBondContact O-N 2.75Å; I109-S112 PolarHBondContact O-N 3.48Å; I109-L113 HydrophobicContact CG2-CD1 3.6Å; I109-L113 HydrophobicContact CG2-CG 4.41Å; I109-L113 WeakPolarHBondContact O-CB 3.49Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 3.35Å
110	F	60.9	Low	58.5	Low	67 Å²	67	59.4 Å²	59.4	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-58.7	-45.8	175	-177	-96.5	0	0	0	111.3	L90 I94 A106 F107 S112 L113 W114	L90-F110 HydrophobicContact CD1-CD2 4.25Å; L90-F110 HydrophobicContact CD1-CE2 4.34Å; I94-F110 HydrophobicContact CD1-CD2 4.45Å; I94-F110 HydrophobicContact CD1-CE2 3.93Å; I94-F110 HydrophobicContact CG1-CD2 3.86Å; I94-F110 HydrophobicContact CG1-CE2 3.8Å; A106-F110 WeakPolarHBondContact O-CB 3.26Å; A106-F110 PolarHBondContact O-N 3.45Å; F107-F110 WeakPolarHBondContact O-CB 3.4Å; F107-F110 PolarHBondContact O-N 3.21Å; F110-S112 PolarHBondContact O-N 3.34Å; F110-L113 PolarHBondContact O-N 3.3Å; F110-W114 HydrophobicContact CE1-CE3 4.44Å; F110-W114 AromaticContact CZ-CE3 3.93Å; F110-W114 HydrophobicContact CZ-CE3 3.93Å; F110-W114 HydrophobicContact CZ-CZ3 4.37Å; F110-W114 WeakPolarHBondContact O-CB 3.49Å; F110-W114 PolarHBondContact O-N 2.83Å
111	S	59.5	Low	58.7	Low	44 Å²	44	60.2 Å²	60.2	31%	0.308	30%	0.304	S	S	.	.	H	α-helix	trans	-61.8	-43	177.7	-168.6	0	0	0	0	112.3	F107 W108 I109 I115	F107-S111 WeakPolarHBondContact O-CB 3.31Å; F107-S111 PolarHBondContact O-N 3.01Å; W108-S111 PolarHBondContact O-N 3.26Å; I109-S111 VanDerWaalsContact C-N 3.33Å; I109-S111 PolarHBondContact O-N 2.75Å; S111-I115 WeakPolarHBondContact O-CB 3.37Å; S111-I115 WeakPolarHBondContact O-CD1 3.34Å; S111-I115 WeakPolarHBondContact O-CG1 3.28Å; S111-I115 PolarHBondContact O-N 2.87Å
112	S	58.6	Low	58.9	Low	18 Å²	18	57.5 Å²	57.5	13%	0.126	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-45.8	177.2	167.3	0	0	0	0	112.5	T19 W108 I109 F110 I115 S116	T19-S112 WeakPolarHBondContact CG2-OG 3.45Å; W108-S112 WeakPolarHBondContact O-CB 3.47Å; W108-S112 PolarHBondContact O-N 2.88Å; I109-S112 PolarHBondContact O-N 3.48Å; F110-S112 PolarHBondContact O-N 3.34Å; S112-I115 PolarHBondContact O-N 3.44Å; S112-S116 PolarHBondContact O-N 3.19Å; S112-S116 PolarHBondContact O-OG 2.88Å
113	L	61.7	Low	58.9	Low	5 Å²	5	52.2 Å²	52.2	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-72.5	-35.5	-179.5	-70.9	165.3	0	0	0	111.7	F89 L90 S93 I109 F110 S116 V117	F89-L113 HydrophobicContact CB-CD2 4.33Å; L90-L113 HydrophobicContact CB-CB 4.28Å; L90-L113 HydrophobicContact CD1-CB 3.4Å; L90-L113 HydrophobicContact CD1-CD1 4.45Å; L90-L113 HydrophobicContact CG-CB 4.43Å; S93-L113 WeakPolarHBondContact OG-CD1 3.24Å; I109-L113 HydrophobicContact CG2-CD1 3.6Å; I109-L113 HydrophobicContact CG2-CG 4.41Å; I109-L113 WeakPolarHBondContact O-CB 3.49Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 3.35Å; F110-L113 PolarHBondContact O-N 3.3Å; L113-S116 WeakPolarHBondContact O-CB 3.45Å; L113-S116 PolarHBondContact O-N 2.95Å; L113-V117 WeakPolarHBondContact O-CG2 3.47Å; L113-V117 PolarHBondContact O-N 2.88Å
114	W	62.9	Low	59.1	Low	139 Å²	139	46.9 Å²	46.9	53%	0.527	24%	0.235	S	C	.	.	H	α-helix	trans	-61.2	-46.4	173.4	-169.3	-98.5	0	0	0	111.1	L90 F110 S116 V117 T118	L90-W114 HydrophobicContact CD2-CE3 4.21Å; F110-W114 HydrophobicContact CE1-CE3 4.44Å; F110-W114 AromaticContact CZ-CE3 3.93Å; F110-W114 HydrophobicContact CZ-CE3 3.93Å; F110-W114 HydrophobicContact CZ-CZ3 4.37Å; F110-W114 WeakPolarHBondContact O-CB 3.49Å; F110-W114 PolarHBondContact O-N 2.83Å; W114-S116 VanDerWaalsContact C-N 3.28Å; W114-S116 PolarHBondContact O-N 3.32Å; W114-V117 PolarHBondContact O-N 3.25Å; W114-T118 WeakPolarHBondContact O-CG2 3.36Å; W114-T118 PolarHBondContact O-N 3.2Å; W114-T118 PolarHBondContact O-OG1 3.3Å
115	I	59.4	Low	59.2	Low	37 Å²	37	46 Å²	46	19%	0.19	23%	0.228	C	C	.	.	H	α-helix	trans	-55.1	-47.3	173.2	-73.2	165.7	0	0	0	110.1	L15 S111 S112 V117 T118 C119	L15-I115 HydrophobicContact CB-CG2 3.74Å; L15-I115 HydrophobicContact CD1-CG2 4.07Å; L15-I115 HydrophobicContact CD2-CG1 4.42Å; L15-I115 HydrophobicContact CD2-CG2 3.86Å; L15-I115 HydrophobicContact CG-CG2 4.1Å; S111-I115 WeakPolarHBondContact O-CB 3.37Å; S111-I115 WeakPolarHBondContact O-CD1 3.34Å; S111-I115 WeakPolarHBondContact O-CG1 3.28Å; S111-I115 PolarHBondContact O-N 2.87Å; S112-I115 PolarHBondContact O-N 3.44Å; I115-V117 PolarHBondContact O-N 2.87Å; I115-T118 WeakPolarHBondContact CA-OG1 3.34Å; I115-T118 PolarHBondContact O-N 3.04Å; I115-T118 PolarHBondContact O-OG1 2.76Å; I115-C119 PolarHBondContact O-N 3.24Å; I115-C119 PolarHBondContact O-SG 3.48Å
116	S	58.1	Low	59.4	Low	4 Å²	4	44 Å²	44	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-43	179.2	-57.9	0	0	0	0	113	S112 L113 W114 T118 C119 I120	S112-S116 PolarHBondContact O-N 3.19Å; S112-S116 PolarHBondContact O-OG 2.88Å; L113-S116 WeakPolarHBondContact O-CB 3.45Å; L113-S116 PolarHBondContact O-N 2.95Å; W114-S116 VanDerWaalsContact C-N 3.28Å; W114-S116 PolarHBondContact O-N 3.32Å; S116-T118 VanDerWaalsContact C-N 3.31Å; S116-T118 PolarHBondContact O-N 3.32Å; S116-C119 PolarHBondContact O-N 3.24Å; S116-I120 WeakPolarHBondContact O-CG1 3.37Å; S116-I120 PolarHBondContact O-N 3.4Å
117	V	61.3	Low	59.4	Low	26 Å²	26	44.6 Å²	44.6	16%	0.158	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-31.2	176	171.6	0	0	0	0	111.9	T86 I87 L90 L113 W114 I115 P121	T86-V117 HydrophobicContact CG2-CG2 3.91Å; I87-V117 HydrophobicContact CG1-CG1 4.27Å; I87-V117 HydrophobicContact CG1-CG2 4.16Å; L90-V117 HydrophobicContact CB-CG2 4.18Å; L90-V117 HydrophobicContact CD2-CB 4.39Å; L90-V117 HydrophobicContact CD2-CG2 3.8Å; L113-V117 WeakPolarHBondContact O-CG2 3.47Å; L113-V117 PolarHBondContact O-N 2.88Å; W114-V117 PolarHBondContact O-N 3.25Å; I115-V117 PolarHBondContact O-N 2.87Å; V117-P121 WeakPolarHBondContact O-CD 3.34Å; V117-P121 VanDerWaalsContact O-CG 3.3Å; V117-P121 WeakPolarHBondContact O-CG 3.25Å
118	T	62	Low	59.4	Low	53 Å²	53	45.9 Å²	45.9	33%	0.325	22%	0.224	S	C	.	.	H	α-helix	trans	-75	-34.7	173.8	59.8	0	0	0	0	112.8	W114 I115 S116 I120 P121 F122	W114-T118 WeakPolarHBondContact O-CG2 3.36Å; W114-T118 PolarHBondContact O-N 3.2Å; W114-T118 PolarHBondContact O-OG1 3.3Å; I115-T118 WeakPolarHBondContact CA-OG1 3.34Å; I115-T118 PolarHBondContact O-N 3.04Å; I115-T118 PolarHBondContact O-OG1 2.76Å; S116-T118 VanDerWaalsContact C-N 3.31Å; S116-T118 PolarHBondContact O-N 3.32Å; T118-I120 PolarHBondContact O-N 2.95Å; T118-P121 WeakPolarHBondContact O-CD 3.43Å; T118-F122 WeakPolarHBondContact O-CD2 3.39Å
119	C	57.9	Low	59.3	Low	4 Å²	4	43.4 Å²	43.4	3%	0.027	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-37.9	-179.2	-72.8	0	0	0	0	113.7	T12 L15 L54 I115 S116 F122 G123	T12-C119 HydrophobicContact CG2-CB 4.45Å; L15-C119 WeakPolarHBondContact CD1-SG 3.43Å; L54-C119 HydrophobicContact CD1-CB 4.26Å; I115-C119 PolarHBondContact O-N 3.24Å; I115-C119 PolarHBondContact O-SG 3.48Å; S116-C119 PolarHBondContact O-N 3.24Å; C119-F122 WeakPolarHBondContact O-CB 3.49Å; C119-F122 PolarHBondContact O-N 3.03Å; C119-G123 PolarHBondContact O-N 3.19Å
120	I	60.5	Low	58.9	Low	7 Å²	7	46.6 Å²	46.6	4%	0.036	24%	0.241	C	C	.	.	H	α-helix	trans	-69.8	-44.6	-171.7	-60.6	164.2	0	0	0	112.8	V79 L83 T86 S116 T118 F122 G123 L124	V79-I120 HydrophobicContact CG1-CG2 3.79Å; L83-I120 HydrophobicContact CB-CG2 3.65Å; L83-I120 HydrophobicContact CD1-CB 3.59Å; L83-I120 HydrophobicContact CD1-CD1 4.23Å; L83-I120 HydrophobicContact CD1-CG2 3.54Å; L83-I120 HydrophobicContact CG-CG2 4.11Å; T86-I120 HydrophobicContact CG2-CD1 3.89Å; T86-I120 VanDerWaalsContact OG1-CD1 3.26Å; T86-I120 WeakPolarHBondContact OG1-CD1 3.14Å; S116-I120 WeakPolarHBondContact O-CG1 3.37Å; S116-I120 PolarHBondContact O-N 3.4Å; T118-I120 PolarHBondContact O-N 2.95Å; I120-F122 VanDerWaalsContact C-N 3.3Å; I120-F122 PolarHBondContact O-N 3Å; I120-G123 PolarHBondContact O-N 3.05Å; I120-L124 HydrophobicContact CG2-CD1 4.3Å; I120-L124 WeakPolarHBondContact O-CG 3.32Å; I120-L124 PolarHBondContact O-N 2.9Å
121	P	59.2	Low	58.3	Low	51 Å²	51	46.7 Å²	46.7	33%	0.331	25%	0.249	S	C	.	.	H	α-helix	trans	-59.9	-37.5	170.3	-23.9	34.2	0	0	0	112.7	L83 V117 T118 L124 C125	L83-P121 HydrophobicContact CD1-CG 4.08Å; V117-P121 WeakPolarHBondContact O-CD 3.34Å; V117-P121 VanDerWaalsContact O-CG 3.3Å; V117-P121 WeakPolarHBondContact O-CG 3.25Å; T118-P121 WeakPolarHBondContact O-CD 3.43Å; P121-L124 CarbonylContact O-C 3.59Å; P121-L124 WeakPolarHBondContact O-CB 3.18Å; P121-L124 PolarHBondContact O-N 3.32Å; P121-C125 PolarHBondContact O-N 3.09Å; P121-C125 PolarHBondContact O-SG 3.12Å
122	F	58.7	Low	57.8	Low	100 Å²	100	51.7 Å²	51.7	44%	0.439	27%	0.27	S	S	.	.	H	α-helix	trans	-63.2	-43	173.8	-95.2	-85.2	0	0	0	111.6	T118 C119 I120 L124 C125 T126	T118-F122 WeakPolarHBondContact O-CD2 3.39Å; C119-F122 WeakPolarHBondContact O-CB 3.49Å; C119-F122 PolarHBondContact O-N 3.03Å; I120-F122 VanDerWaalsContact C-N 3.3Å; I120-F122 PolarHBondContact O-N 3Å; F122-L124 VanDerWaalsContact C-N 3.33Å; F122-L124 PolarHBondContact O-N 3.35Å; F122-C125 WeakPolarHBondContact O-CB 3Å; F122-C125 PolarHBondContact O-N 2.98Å; F122-T126 PolarHBondContact O-N 3.33Å; F122-T126 VanDerWaalsContact O-N 3.11Å
123	G	58.4	Low	56.9	Low	3 Å²	3	57.1 Å²	57.1	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-56.6	-45	169.9	0	0	0	0	0	112.1	C119 I120 C125 T126 L127	C119-G123 PolarHBondContact O-N 3.19Å; I120-G123 PolarHBondContact O-N 3.05Å; G123-C125 PolarHBondContact O-N 3.46Å; G123-T126 PolarHBondContact O-N 3.28Å; G123-T126 VanDerWaalsContact O-N 3.14Å; G123-T126 PolarHBondContact O-OG1 2.79Å; G123-L127 WeakPolarHBondContact O-CG 3.3Å; G123-L127 PolarHBondContact O-N 2.89Å
124	L	60	Low	55.9	Low	12 Å²	12	66 Å²	66	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-62.6	-41.1	176	-73.5	159.7	0	0	0	112.7	I76 V79 M80 L83 I120 P121 F122 T126 L127 Y128	I76-L124 HydrophobicContact CG2-CD2 4.42Å; V79-L124 HydrophobicContact CB-CD2 3.96Å; V79-L124 HydrophobicContact CG1-CD1 4.1Å; V79-L124 HydrophobicContact CG1-CD2 3.52Å; V79-L124 HydrophobicContact CG1-CG 3.57Å; M80-L124 HydrophobicContact CE-CD1 3.31Å; M80-L124 HydrophobicContact CE-CD2 3.59Å; M80-L124 HydrophobicContact CE-CG 4Å; M80-L124 HydrophobicContact SD-CD1 4.19Å; L83-L124 HydrophobicContact CD2-CD1 4.11Å; I120-L124 HydrophobicContact CG2-CD1 4.3Å; I120-L124 WeakPolarHBondContact O-CG 3.32Å; I120-L124 PolarHBondContact O-N 2.9Å; P121-L124 CarbonylContact O-C 3.59Å; P121-L124 WeakPolarHBondContact O-CB 3.18Å; P121-L124 PolarHBondContact O-N 3.32Å; F122-L124 VanDerWaalsContact C-N 3.33Å; F122-L124 PolarHBondContact O-N 3.35Å; L124-T126 VanDerWaalsContact C-N 3.26Å; L124-T126 PolarHBondContact O-N 3.32Å; L124-L127 HydrophobicContact CD2-CD1 4.39Å; L124-L127 WeakPolarHBondContact O-CA 3.25Å; L124-L127 WeakPolarHBondContact O-CB 3.24Å; L124-L127 PolarHBondContact O-N 2.82Å; L124-Y128 WeakPolarHBondContact O-CD2 3.49Å; L124-Y128 PolarHBondContact O-N 3.43Å
125	C	58.4	Low	54.7	Low	65 Å²	65	64.2 Å²	64.2	44%	0.439	34%	0.338	S	S	.	.	H	α-helix	trans	-59.1	-37.8	173.7	-70.1	0	0	0	0	111.7	P121 F122 G123 L127 Y128 I129	P121-C125 PolarHBondContact O-N 3.09Å; P121-C125 PolarHBondContact O-SG 3.12Å; F122-C125 WeakPolarHBondContact O-CB 3Å; F122-C125 PolarHBondContact O-N 2.98Å; G123-C125 PolarHBondContact O-N 3.46Å; C125-L127 VanDerWaalsContact C-N 3.26Å; C125-L127 PolarHBondContact O-N 3.42Å; C125-Y128 PolarHBondContact O-N 2.82Å; C125-I129 WeakPolarHBondContact O-CD1 3.47Å; C125-I129 VanDerWaalsContact O-CG1 3.28Å; C125-I129 WeakPolarHBondContact O-CG1 3.04Å; C125-I129 PolarHBondContact O-N 3.29Å; C125-I129 VanDerWaalsContact O-N 3.13Å
126	T	58.2	Low	53.7	Low	8 Å²	8	73 Å²	73	5%	0.049	37%	0.369	C	S	.	.	H	α-helix	trans	-65.9	-28.1	175.2	68	0	0	0	0	113.6	R5 C8 F122 G123 L124	R5-T126 HydrophobicContact CG-CG2 4.41Å; R5-T126 PolarHBondContact NE-O 3.21Å; C8-T126 HydrophobicContact CB-CG2 3.43Å; C8-T126 VanDerWaalsContact CB-CG2 3.43Å; F122-T126 PolarHBondContact O-N 3.33Å; F122-T126 VanDerWaalsContact O-N 3.11Å; G123-T126 PolarHBondContact O-N 3.28Å; G123-T126 VanDerWaalsContact O-N 3.14Å; G123-T126 PolarHBondContact O-OG1 2.79Å; L124-T126 VanDerWaalsContact C-N 3.26Å; L124-T126 PolarHBondContact O-N 3.32Å
127	L	57.4	Low	52.8	Low	23 Å²	23	84.9 Å²	84.9	12%	0.12	43%	0.431	C	S	.	.	H	α-helix	trans	-79.3	-37.9	176.4	-62.5	179	0	0	0	112.7	S64 I76 V79 G123 L124 C125	S64-L127 VanDerWaalsContact CB-CD2 3.43Å; S64-L127 WeakPolarHBondContact OG-CD2 3.31Å; I76-L127 HydrophobicContact CG1-CB 4.42Å; I76-L127 HydrophobicContact CG1-CD1 4.23Å; V79-L127 HydrophobicContact CG2-CD1 4.2Å; G123-L127 WeakPolarHBondContact O-CG 3.3Å; G123-L127 PolarHBondContact O-N 2.89Å; L124-L127 HydrophobicContact CD2-CD1 4.39Å; L124-L127 WeakPolarHBondContact O-CA 3.25Å; L124-L127 WeakPolarHBondContact O-CB 3.24Å; L124-L127 PolarHBondContact O-N 2.82Å; C125-L127 VanDerWaalsContact C-N 3.26Å; C125-L127 PolarHBondContact O-N 3.42Å
128	Y	56	Low	52.4	Low	151 Å²	151	87.9 Å²	87.9	59%	0.592	45%	0.445	S	S	*	.	H	α-helix	trans	-79.3	-26.9	-176.6	-93.5	-87.7	0	0	0	114.1	I76 L124 C125 P130	I76-Y128 HydrophobicContact CD1-CE2 4.32Å; I76-Y128 HydrophobicContact CG2-CE2 4.13Å; L124-Y128 WeakPolarHBondContact O-CD2 3.49Å; L124-Y128 PolarHBondContact O-N 3.43Å; C125-Y128 PolarHBondContact O-N 2.82Å; Y128-P130 WeakPolarHBondContact O-CD 3.36Å; Y128-P130 VanDerWaalsContact O-N 3.14Å
129	I	55.9	Low	51.9	Low	66 Å²	66	89.7 Å²	89.7	34%	0.338	45%	0.451	S	S	.	.	S	Bend	trans	-68.3	111.7	172	-65.9	163	0	0	0	106.3	F4 R5 C125	F4-I129 HydrophobicContact CD1-CD1 3.62Å; F4-I129 HydrophobicContact CE1-CD1 3.49Å; F4-I129 VanDerWaalsContact CE1-CD1 3.49Å; R5-I129 PolarHBondContact NH2-O 3.38Å; C125-I129 WeakPolarHBondContact O-CD1 3.47Å; C125-I129 VanDerWaalsContact O-CG1 3.28Å; C125-I129 WeakPolarHBondContact O-CG1 3.04Å; C125-I129 PolarHBondContact O-N 3.29Å; C125-I129 VanDerWaalsContact O-N 3.13Å
130	P	52.2	Low	51.6	Low	96 Å²	96	94.4 Å²	94.4	62%	0.623	47%	0.474	S	S	*	.			trans	-56.9	144.5	173.6	24.2	-32.1	0	0	0	108.4	Y128 I132	Y128-P130 WeakPolarHBondContact O-CD 3.36Å; Y128-P130 VanDerWaalsContact O-N 3.14Å; P130-I132 PolarHBondContact O-N 3.09Å; P130-I132 VanDerWaalsContact O-N 3.1Å
131	P	48.8	Very low	51	Low	69 Å²	69	99.6 Å²	99.6	45%	0.448	50%	0.5	S	S	.	.			trans	-52.2	129.7	163.4	25.5	-30.2	0	0	0	105.4	R5 Q133	R5-P131 VanDerWaalsContact NH2-N 3.17Å; P131-Q133 PolarHBondContact O-N 3.15Å
132	I	47.7	Very low	50.5	Low	149 Å²	149	102.6 Å²	102.6	76%	0.764	51%	0.511	S	S	*	.			trans	-48.2	102.6	168.3	-65.9	164.6	0	0	0	103.9	P130 M134	P130-I132 PolarHBondContact O-N 3.09Å; P130-I132 VanDerWaalsContact O-N 3.1Å; I132-M134 PolarHBondContact O-N 3.15Å
133	Q	40.3	Very low	50	Low	132 Å²	132	102.8 Å²	102.8	62%	0.617	52%	0.516	S	S	*	.			trans	-64.3	115.7	173	-72.2	-161.8	-45	0	0	101.8	P131 N135	P131-Q133 PolarHBondContact O-N 3.15Å; Q133-N135 HydrophobicContact CB-CB 3.88Å; Q133-N135 PolarHBondContact O-N 3.39Å; Q133-N135 VanDerWaalsContact OE1-CG 3.31Å; Q133-N135 PolarHBondContact OE1-ND2 3.43Å; Q133-N135 PolarHBondContact OE1-OD1 3.28Å
134	M	41.3	Very low	49.4	Very low	192 Å²	192	109.9 Å²	109.9	95%	0.946	55%	0.55	S	S	*	*			trans	-59.5	69	142	-80.4	171.3	162.4	0	0	105.9	I132 R136	I132-M134 PolarHBondContact O-N 3.15Å; M134-R136 VanDerWaalsContact C-N 3.32Å; M134-R136 PolarHBondContact O-N 3.05Å
135	N	37.9	Very low	48.6	Very low	101 Å²	101	117.5 Å²	117.5	54%	0.54	59%	0.588	S	S	.	*			trans	-76.4	99.8	165.4	-114.7	-8.3	0	0	0	102.8	Q133	Q133-N135 HydrophobicContact CB-CB 3.88Å; Q133-N135 PolarHBondContact O-N 3.39Å; Q133-N135 VanDerWaalsContact OE1-CG 3.31Å; Q133-N135 PolarHBondContact OE1-ND2 3.43Å; Q133-N135 PolarHBondContact OE1-OD1 3.28Å
136	R	38.3	Very low	47.8	Very low	222 Å²	222	121.8 Å²	121.8	84%	0.838	60%	0.6	S	S	*	*			trans	58	85.9	149.9	-54.8	-179.8	-173.5	178.4	-0	114.6	M134	M134-R136 VanDerWaalsContact C-N 3.32Å; M134-R136 PolarHBondContact O-N 3.05Å
137	L	39	Very low	46.8	Very low	253 Å²	253	132.2 Å²	132.2	100%	1.325	65%	0.65	S	S	*	*			trans	-148.4	0	130.3	-97.3	149	0	0	0	107.3

Retrieved 137 of 137 residues in 188.5 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).