A0A3Q0KEX9_SCHMA Loading...

MIT domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KEX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 249 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	60.1	Low	88.4	Confident	182 Å²	182	64.5 Å²	64.5	90%	0.897	36%	0.362	S	S	*	.				0	135.5	0	-88.8	-177	-94.2	0	0	108.5	S5 L6	M1-S5 WeakPolarHBondContact CB-OG 3.37Å; M1-L6 HydrophobicContact CB-CD2 4.14Å; M1-L6 HydrophobicContact CB-CG 4.04Å; M1-L6 HydrophobicContact CE-CD2 4.31Å; M1-L6 HydrophobicContact SD-CD2 3.75Å; M1-L6 HydrophobicContact SD-CG 4.47Å
2	T	82.1	Confident	89.1	Confident	95 Å²	95	68.3 Å²	68.3	58%	0.583	38%	0.38	S	S	*	.			trans	-72.5	157.3	173	58.3	0	0	0	0	109.5	N4 S5 L6	T2-N4 PolarHBondContact O-N 3.35Å; T2-S5 PolarHBondContact N-OG 3.08Å; T2-S5 PolarHBondContact O-N 3.37Å; T2-S5 VanDerWaalsContact O-N 3.13Å; T2-S5 PolarHBondContact O-OG 2.86Å; T2-S5 PolarHBondContact OG1-N 3.36Å; T2-S5 PolarHBondContact OG1-OG 2.84Å; T2-L6 PolarHBondContact O-N 2.82Å
3	S	83.2	Confident	89.6	Confident	30 Å²	30	64.8 Å²	64.8	21%	0.21	36%	0.361	C	S	.	.	H	α-helix	trans	-51.1	-43.2	173.5	51.2	0	0	0	0	111.6	S5 L6 I7	S3-S5 PolarHBondContact O-N 3.5Å; S3-L6 PolarHBondContact O-N 3.47Å; S3-I7 VanDerWaalsContact O-CG1 3.32Å; S3-I7 WeakPolarHBondContact O-CG1 3.38Å; S3-I7 PolarHBondContact O-N 2.91Å
4	N	87.1	Confident	90.2	Very high	109 Å²	109	60.5 Å²	60.5	58%	0.583	34%	0.337	S	S	*	.	H	α-helix	trans	-60.5	-44.4	178.2	-69.2	-12	0	0	0	112.9	T2 L6 I7 E8	T2-N4 PolarHBondContact O-N 3.35Å; N4-L6 VanDerWaalsContact C-N 3.28Å; N4-L6 PolarHBondContact O-N 2.98Å; N4-I7 PolarHBondContact O-N 2.82Å; N4-E8 PolarHBondContact O-N 2.81Å
5	S	91.5	Very high	90.6	Very high	36 Å²	36	64.6 Å²	64.6	25%	0.252	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-34.1	177.6	62.4	0	0	0	0	113.1	M1 T2 S3 A9	M1-S5 WeakPolarHBondContact CB-OG 3.37Å; T2-S5 PolarHBondContact N-OG 3.08Å; T2-S5 PolarHBondContact O-N 3.37Å; T2-S5 VanDerWaalsContact O-N 3.13Å; T2-S5 PolarHBondContact O-OG 2.86Å; T2-S5 PolarHBondContact OG1-N 3.36Å; T2-S5 PolarHBondContact OG1-OG 2.84Å; S3-S5 PolarHBondContact O-N 3.5Å; S5-A9 WeakPolarHBondContact O-CB 3.42Å; S5-A9 PolarHBondContact O-N 2.89Å
6	L	93.4	Very high	90.9	Very high	11 Å²	11	67.9 Å²	67.9	6%	0.058	36%	0.362	C	S	.	.	H	α-helix	trans	-71.4	-37.4	175.6	-69	169.1	0	0	0	111.8	M1 T2 S3 N4 G10 L39 K42 A43	M1-L6 HydrophobicContact CB-CD2 4.14Å; M1-L6 HydrophobicContact CB-CG 4.04Å; M1-L6 HydrophobicContact CE-CD2 4.31Å; M1-L6 HydrophobicContact SD-CD2 3.75Å; M1-L6 HydrophobicContact SD-CG 4.47Å; T2-L6 PolarHBondContact O-N 2.82Å; S3-L6 PolarHBondContact O-N 3.47Å; N4-L6 VanDerWaalsContact C-N 3.28Å; N4-L6 PolarHBondContact O-N 2.98Å; L6-G10 PolarHBondContact O-N 2.94Å; L6-L39 HydrophobicContact CD2-CD2 4.06Å; L6-K42 HydrophobicContact CD1-CB 4.01Å; L6-A43 HydrophobicContact CB-CB 3.74Å; L6-A43 HydrophobicContact CD1-CB 4.35Å
7	I	92.9	Very high	91.2	Very high	30 Å²	30	63.9 Å²	63.9	15%	0.154	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-43.2	175.2	-65.4	168.9	0	0	0	110.2	S3 N4 G10 S11 A43 F55 F59	S3-I7 VanDerWaalsContact O-CG1 3.32Å; S3-I7 WeakPolarHBondContact O-CG1 3.38Å; S3-I7 PolarHBondContact O-N 2.91Å; N4-I7 PolarHBondContact O-N 2.82Å; I7-G10 PolarHBondContact O-N 2.96Å; I7-S11 VanDerWaalsContact O-CB 3.3Å; I7-S11 WeakPolarHBondContact O-CB 3.36Å; I7-S11 PolarHBondContact O-N 3.26Å; I7-S11 PolarHBondContact O-OG 3.42Å; I7-A43 HydrophobicContact CD1-CB 4.39Å; I7-A43 HydrophobicContact CG1-CB 3.68Å; I7-F55 HydrophobicContact CD1-CE1 4.29Å; I7-F55 HydrophobicContact CD1-CZ 4.12Å; I7-F59 HydrophobicContact CD1-CD1 4.44Å; I7-F59 HydrophobicContact CD1-CE1 4.01Å; I7-F59 HydrophobicContact CD1-CZ 4.2Å; I7-F59 HydrophobicContact CG1-CE1 3.88Å; I7-F59 HydrophobicContact CG1-CZ 3.74Å; I7-F59 HydrophobicContact CG2-CZ 4.47Å
8	E	94.5	Very high	91.4	Very high	132 Å²	132	63.4 Å²	63.4	62%	0.617	34%	0.337	S	S	*	.	H	α-helix	trans	-62.5	-51.1	177.7	-174.9	176.6	-176.5	0	0	111.2	N4 G10 S11 I12	N4-E8 PolarHBondContact O-N 2.81Å; E8-G10 PolarHBondContact O-N 3.47Å; E8-S11 PolarHBondContact O-N 3.1Å; E8-S11 VanDerWaalsContact O-N 3.13Å; E8-I12 HydrophobicContact CG-CD1 4.42Å; E8-I12 WeakPolarHBondContact O-CG1 3.25Å; E8-I12 PolarHBondContact O-N 2.91Å
9	A	95.6	Very high	91.7	Very high	36 Å²	36	64.6 Å²	64.6	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-57.7	-47.4	176	0	0	0	0	0	111.8	S5 S11 I12 V13 L39	S5-A9 WeakPolarHBondContact O-CB 3.42Å; S5-A9 PolarHBondContact O-N 2.89Å; A9-S11 VanDerWaalsContact C-N 3.28Å; A9-S11 PolarHBondContact O-N 3.29Å; A9-I12 PolarHBondContact O-N 2.92Å; A9-V13 WeakPolarHBondContact O-CG2 3.49Å; A9-V13 PolarHBondContact O-N 2.87Å; A9-L39 HydrophobicContact CB-CD1 4.14Å
10	G	96	Very high	91.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-35	177.2	0	0	0	0	0	112.9	L6 I7 E8 V13 M14 S36 F40	L6-G10 PolarHBondContact O-N 2.94Å; I7-G10 PolarHBondContact O-N 2.96Å; E8-G10 PolarHBondContact O-N 3.47Å; G10-V13 PolarHBondContact O-N 3.34Å; G10-M14 VanDerWaalsContact O-CB 3.22Å; G10-M14 WeakPolarHBondContact O-CB 3.36Å; G10-M14 PolarHBondContact O-N 3.4Å; G10-S36 VanDerWaalsContact O-CB 3.26Å; G10-S36 WeakPolarHBondContact O-CB 3.39Å; G10-F40 WeakPolarHBondContact O-CZ 3.38Å
11	S	96.3	Very high	91.8	Very high	48 Å²	48	61.1 Å²	61.1	34%	0.336	32%	0.321	S	S	.	.	H	α-helix	trans	-69.4	-39.9	178.7	-59.7	0	0	0	0	112.1	I7 E8 A9 M14 L15	I7-S11 VanDerWaalsContact O-CB 3.3Å; I7-S11 WeakPolarHBondContact O-CB 3.36Å; I7-S11 PolarHBondContact O-N 3.26Å; I7-S11 PolarHBondContact O-OG 3.42Å; E8-S11 PolarHBondContact O-N 3.1Å; E8-S11 VanDerWaalsContact O-N 3.13Å; A9-S11 VanDerWaalsContact C-N 3.28Å; A9-S11 PolarHBondContact O-N 3.29Å; S11-M14 PolarHBondContact O-N 2.95Å; S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.34Å
12	I	96.8	Very high	93.3	Very high	111 Å²	111	59.4 Å²	59.4	57%	0.569	31%	0.309	S	S	*	.	H	α-helix	trans	-60.8	-47.3	175	-66.7	165.7	0	0	0	110.1	E8 A9 L15 R16	E8-I12 HydrophobicContact CG-CD1 4.42Å; E8-I12 WeakPolarHBondContact O-CG1 3.25Å; E8-I12 PolarHBondContact O-N 2.91Å; A9-I12 PolarHBondContact O-N 2.92Å; I12-L15 PolarHBondContact O-N 3.5Å; I12-R16 PolarHBondContact O-N 2.82Å
13	V	95.9	Very high	93.6	Very high	23 Å²	23	59 Å²	59	14%	0.139	30%	0.3	C	S	.	.	H	α-helix	trans	-66.6	-37.4	178.4	-178.8	0	0	0	0	111.4	A9 G10 R16 A17 C32 E35 L39	A9-V13 WeakPolarHBondContact O-CG2 3.49Å; A9-V13 PolarHBondContact O-N 2.87Å; G10-V13 PolarHBondContact O-N 3.34Å; V13-R16 WeakPolarHBondContact O-CB 3.18Å; V13-R16 PolarHBondContact O-N 3.33Å; V13-A17 PolarHBondContact O-N 3.07Å; V13-C32 HydrophobicContact CG1-CB 3.96Å; V13-C32 WeakPolarHBondContact CG1-O 3.48Å; V13-E35 HydrophobicContact CG1-CB 4.13Å; V13-E35 HydrophobicContact CG1-CG 4.2Å; V13-L39 HydrophobicContact CG2-CD1 4.42Å
14	M	97.3	Very high	93.8	Very high	4 Å²	4	63 Å²	63	2%	0.02	32%	0.319	C	S	.	.	H	α-helix	trans	-64.1	-43.2	176.7	-176.3	58.6	71.3	0	0	112.4	G10 S11 R16 A17 I18 Y33 S36 I37 F40 Y66	G10-M14 VanDerWaalsContact O-CB 3.22Å; G10-M14 WeakPolarHBondContact O-CB 3.36Å; G10-M14 PolarHBondContact O-N 3.4Å; S11-M14 PolarHBondContact O-N 2.95Å; M14-R16 VanDerWaalsContact C-N 3.28Å; M14-R16 PolarHBondContact O-N 3.14Å; M14-A17 WeakPolarHBondContact O-CB 3.39Å; M14-A17 PolarHBondContact O-N 3.23Å; M14-A17 VanDerWaalsContact O-N 3.16Å; M14-I18 HydrophobicContact CG-CD1 4.29Å; M14-I18 WeakPolarHBondContact O-CG1 3.49Å; M14-I18 PolarHBondContact O-N 3.48Å; M14-I18 VanDerWaalsContact O-N 3.08Å; M14-Y33 HydrophobicContact CE-CD1 3.91Å; M14-Y33 HydrophobicContact CE-CE1 4.27Å; M14-Y33 HydrophobicContact SD-CD1 3.46Å; M14-Y33 WeakPolarHBondContact SD-CD1 3.38Å; M14-Y33 HydrophobicContact SD-CE1 3.29Å; M14-Y33 WeakPolarHBondContact SD-CE1 3.44Å; M14-S36 WeakPolarHBondContact CE-OG 3.44Å; M14-I37 HydrophobicContact CE-CG1 4.39Å; M14-F40 HydrophobicContact CB-CE2 4.35Å; M14-F40 HydrophobicContact CB-CZ 4.25Å; M14-F40 HydrophobicContact CE-CD2 4.35Å; M14-F40 HydrophobicContact CE-CE2 3.66Å; M14-Y66 HydrophobicContact CE-CD1 3.72Å; M14-Y66 HydrophobicContact CE-CD2 3.61Å; M14-Y66 HydrophobicContact CE-CE1 4.13Å; M14-Y66 HydrophobicContact CE-CE2 3.99Å; M14-Y66 HydrophobicContact CE-CG 3.45Å; M14-Y66 VanDerWaalsContact CE-CG 3.45Å; M14-Y66 HydrophobicContact CG-CE1 4.06Å; M14-Y66 HydrophobicContact CG-CE2 4.35Å; M14-Y66 HydrophobicContact SD-CD1 3.77Å; M14-Y66 HydrophobicContact SD-CE1 3.82Å; M14-Y66 HydrophobicContact SD-CG 4.16Å
15	L	96.6	Very high	93.9	Very high	122 Å²	122	60 Å²	60	64%	0.639	30%	0.3	S	S	*	.	H	α-helix	trans	-61.7	-39.6	175.4	-72.8	173.7	0	0	0	111.4	S11 I12 I18 E19	S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.34Å; I12-L15 PolarHBondContact O-N 3.5Å; L15-I18 PolarHBondContact O-N 2.87Å; L15-E19 PolarHBondContact O-N 2.98Å; L15-E19 VanDerWaalsContact O-N 3.07Å
16	R	94.9	Very high	93.8	Very high	118 Å²	118	58.7 Å²	58.7	45%	0.445	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-43.6	172.7	-176.6	-173.5	178.4	149.1	16.7	111.7	I12 V13 M14 I18 E19 L20 E28	I12-R16 PolarHBondContact O-N 2.82Å; V13-R16 WeakPolarHBondContact O-CB 3.18Å; V13-R16 PolarHBondContact O-N 3.33Å; M14-R16 VanDerWaalsContact C-N 3.28Å; M14-R16 PolarHBondContact O-N 3.14Å; R16-I18 VanDerWaalsContact C-N 3.33Å; R16-I18 PolarHBondContact O-N 3.05Å; R16-E19 PolarHBondContact O-N 3.08Å; R16-L20 HydrophobicContact CG-CD1 3.85Å; R16-L20 HydrophobicContact CG-CG 4.34Å; R16-L20 VanDerWaalsContact O-CG 3.31Å; R16-L20 WeakPolarHBondContact O-CG 3.41Å; R16-L20 PolarHBondContact O-N 3.43Å; R16-E28 IonicContact CZ-OE1 3.86Å; R16-E28 IonicContact NE-OE1 3.53Å; R16-E28 PolarHBondContact NE-OE1 2.81Å; R16-E28 IonicContact NH2-OE1 2.75Å; R16-E28 PolarHBondContact NH2-OE1 2.88Å
17	A	96	Very high	93.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.6	-46.3	178.4	0	0	0	0	0	111.9	V13 M14 E19 L20 E21 S29 C32 Y33	V13-A17 PolarHBondContact O-N 3.07Å; M14-A17 WeakPolarHBondContact O-CB 3.39Å; M14-A17 PolarHBondContact O-N 3.23Å; M14-A17 VanDerWaalsContact O-N 3.16Å; A17-E19 PolarHBondContact O-N 3.07Å; A17-L20 PolarHBondContact O-N 3.01Å; A17-E21 PolarHBondContact O-N 2.72Å; A17-S29 PolarHBondContact O-OG 2.93Å; A17-C32 HydrophobicContact CB-CB 3.57Å; A17-Y33 HydrophobicContact CB-CD1 4.06Å; A17-Y33 HydrophobicContact CB-CD2 3.73Å; A17-Y33 HydrophobicContact CB-CE1 4.13Å; A17-Y33 HydrophobicContact CB-CE2 3.79Å; A17-Y33 HydrophobicContact CB-CG 3.84Å
18	I	95.8	Very high	93.6	Very high	54 Å²	54	57.9 Å²	57.9	28%	0.277	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-42.3	177.8	-66.1	162.9	0	0	0	111	M14 L15 R16 E21 K22 Y33	M14-I18 HydrophobicContact CG-CD1 4.29Å; M14-I18 WeakPolarHBondContact O-CG1 3.49Å; M14-I18 PolarHBondContact O-N 3.48Å; M14-I18 VanDerWaalsContact O-N 3.08Å; L15-I18 PolarHBondContact O-N 2.87Å; R16-I18 VanDerWaalsContact C-N 3.33Å; R16-I18 PolarHBondContact O-N 3.05Å; I18-E21 PolarHBondContact O-N 2.94Å; I18-K22 WeakPolarHBondContact O-CG 3.23Å; I18-K22 PolarHBondContact O-N 3.01Å; I18-Y33 VanDerWaalsContact CG1-OH 3.25Å; I18-Y33 WeakPolarHBondContact CG1-OH 3.32Å
19	E	95.7	Very high	93.5	Very high	86 Å²	86	51.6 Å²	51.6	40%	0.402	26%	0.257	S	S	.	.	H	α-helix	trans	-67	-41.6	179.5	-175.7	53.6	-148.8	0	0	112.1	L15 R16 A17 E21 K22 Q23	L15-E19 PolarHBondContact O-N 2.98Å; L15-E19 VanDerWaalsContact O-N 3.07Å; R16-E19 PolarHBondContact O-N 3.08Å; A17-E19 PolarHBondContact O-N 3.07Å; E19-E21 VanDerWaalsContact C-N 3.31Å; E19-E21 PolarHBondContact O-N 3.24Å; E19-K22 PolarHBondContact O-N 3.4Å; E19-K22 IonicContact OE2-NZ 3.76Å; E19-Q23 WeakPolarHBondContact O-CG 3.2Å; E19-Q23 PolarHBondContact O-N 2.89Å; E19-Q23 VanDerWaalsContact O-N 3.16Å; E19-Q23 PolarHBondContact OE1-NE2 3.4Å
20	L	92.9	Very high	93.4	Very high	11 Å²	11	50.9 Å²	50.9	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-38.1	174.2	-71.3	164.6	0	0	0	112.1	R16 A17 Q23 L24 K25 E28	R16-L20 HydrophobicContact CG-CD1 3.85Å; R16-L20 HydrophobicContact CG-CG 4.34Å; R16-L20 VanDerWaalsContact O-CG 3.31Å; R16-L20 WeakPolarHBondContact O-CG 3.41Å; R16-L20 PolarHBondContact O-N 3.43Å; A17-L20 PolarHBondContact O-N 3.01Å; L20-Q23 CarbonylContact O-C 3.55Å; L20-Q23 PolarHBondContact O-N 3.27Å; L20-Q23 VanDerWaalsContact O-N 3.15Å; L20-L24 PolarHBondContact O-N 3.21Å; L20-K25 HydrophobicContact CB-CB 4.32Å; L20-K25 HydrophobicContact CD2-CB 4.1Å; L20-K25 HydrophobicContact CD2-CD 3.73Å; L20-K25 PolarHBondContact O-N 3.42Å; L20-E28 HydrophobicContact CD1-CB 3.82Å; L20-E28 HydrophobicContact CD1-CG 3.6Å; L20-E28 HydrophobicContact CD2-CB 4.22Å; L20-E28 HydrophobicContact CD2-CG 4.32Å; L20-E28 HydrophobicContact CG-CB 4.5Å
21	E	92.3	Very high	93.2	Very high	45 Å²	45	52.3 Å²	52.3	21%	0.21	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-42.6	176.4	-165.5	179.6	163.3	0	0	111.5	A17 I18 E19 Q23 L24 F26 S29 Y33 H69 L73	A17-E21 PolarHBondContact O-N 2.72Å; I18-E21 PolarHBondContact O-N 2.94Å; E19-E21 VanDerWaalsContact C-N 3.31Å; E19-E21 PolarHBondContact O-N 3.24Å; E21-Q23 PolarHBondContact O-N 3.28Å; E21-L24 PolarHBondContact O-N 2.97Å; E21-F26 HydrophobicContact CG-CD1 3.99Å; E21-F26 HydrophobicContact CG-CE1 3.82Å; E21-F26 WeakPolarHBondContact O-CE1 3.45Å; E21-S29 WeakPolarHBondContact CB-OG 3.24Å; E21-Y33 PolarHBondContact OE2-OH 3.34Å; E21-Y33 VanDerWaalsContact OE2-OH 3.12Å; E21-H69 IonicContact OE1-CE1 2.63Å; E21-H69 IonicContact OE1-NE2 2.76Å; E21-H69 IonicContact OE2-CD2 2.89Å; E21-H69 IonicContact OE2-CE1 2.86Å; E21-H69 IonicContact OE2-NE2 3.64Å; E21-H69 PolarHBondContact OE2-NE2 3.23Å; E21-L73 HydrophobicContact CG-CD1 4.4Å
22	K	91.8	Very high	93.1	Very high	146 Å²	146	50.2 Å²	50.2	64%	0.635	24%	0.242	S	C	*	.	H	α-helix	trans	-62.4	-31	175.2	-67.2	173.4	-170.2	167.2	0	112.6	I18 E19 L24	I18-K22 WeakPolarHBondContact O-CG 3.23Å; I18-K22 PolarHBondContact O-N 3.01Å; E19-K22 PolarHBondContact O-N 3.4Å; E19-K22 IonicContact OE2-NZ 3.76Å; K22-L24 PolarHBondContact O-N 3.48Å
23	Q	89.7	Confident	93.1	Very high	87 Å²	87	45.2 Å²	45.2	41%	0.407	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	6.1	175.9	-64.3	175.5	15.4	0	0	113.1	E19 L20 E21 K25	E19-Q23 WeakPolarHBondContact O-CG 3.2Å; E19-Q23 PolarHBondContact O-N 2.89Å; E19-Q23 VanDerWaalsContact O-N 3.16Å; E19-Q23 PolarHBondContact OE1-NE2 3.4Å; L20-Q23 CarbonylContact O-C 3.55Å; L20-Q23 PolarHBondContact O-N 3.27Å; L20-Q23 VanDerWaalsContact O-N 3.15Å; E21-Q23 PolarHBondContact O-N 3.28Å; Q23-K25 HydrophobicContact CB-CD 4.26Å; Q23-K25 HydrophobicContact CB-CG 4.3Å; Q23-K25 PolarHBondContact O-N 3.37Å
24	L	87.4	Confident	93	Very high	114 Å²	114	47.7 Å²	47.7	60%	0.597	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	18	-177.2	-49.7	176.5	0	0	0	114.2	L20 E21 K22 F26	L20-L24 PolarHBondContact O-N 3.21Å; E21-L24 PolarHBondContact O-N 2.97Å; K22-L24 PolarHBondContact O-N 3.48Å; L24-F26 HydrophobicContact CB-CZ 4.31Å; L24-F26 HydrophobicContact CD2-CE1 4.09Å; L24-F26 HydrophobicContact CD2-CE2 4.42Å; L24-F26 HydrophobicContact CD2-CZ 3.54Å; L24-F26 PolarHBondContact O-N 3.46Å; L24-F26 VanDerWaalsContact O-N 3.08Å
25	K	88.7	Confident	92.9	Very high	46 Å²	46	52.5 Å²	52.5	20%	0.2	25%	0.248	C	C	.	.			trans	-87	63.6	176.1	-66	173.8	-178.6	165.7	0	110	L20 Q23 T27 E28 S29 E88	L20-K25 HydrophobicContact CB-CB 4.32Å; L20-K25 HydrophobicContact CD2-CB 4.1Å; L20-K25 HydrophobicContact CD2-CD 3.73Å; L20-K25 PolarHBondContact O-N 3.42Å; Q23-K25 HydrophobicContact CB-CD 4.26Å; Q23-K25 HydrophobicContact CB-CG 4.3Å; Q23-K25 PolarHBondContact O-N 3.37Å; K25-T27 VanDerWaalsContact C-N 3.32Å; K25-T27 PolarHBondContact O-N 2.69Å; K25-E28 PolarHBondContact O-N 2.84Å; K25-S29 VanDerWaalsContact O-CB 3.26Å; K25-S29 WeakPolarHBondContact O-CB 3.5Å; K25-S29 PolarHBondContact O-N 3.1Å; K25-E88 HydrophobicContact CB-CG 4.46Å; K25-E88 HydrophobicContact CG-CG 4.23Å
26	F	89.7	Confident	92.9	Very high	9 Å²	9	46.7 Å²	46.7	4%	0.039	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-31.6	-168.5	-61.3	-32.8	0	0	0	112.8	E21 L24 S29 L30 L73 K76 L77 Y86	E21-F26 HydrophobicContact CG-CD1 3.99Å; E21-F26 HydrophobicContact CG-CE1 3.82Å; E21-F26 WeakPolarHBondContact O-CE1 3.45Å; L24-F26 HydrophobicContact CB-CZ 4.31Å; L24-F26 HydrophobicContact CD2-CE1 4.09Å; L24-F26 HydrophobicContact CD2-CE2 4.42Å; L24-F26 HydrophobicContact CD2-CZ 3.54Å; L24-F26 PolarHBondContact O-N 3.46Å; L24-F26 VanDerWaalsContact O-N 3.08Å; F26-S29 PolarHBondContact O-N 2.91Å; F26-L30 WeakPolarHBondContact O-CB 3.33Å; F26-L30 PolarHBondContact O-N 3.29Å; F26-L73 HydrophobicContact CB-CD1 4.09Å; F26-L73 HydrophobicContact CD1-CD1 3.76Å; F26-L73 HydrophobicContact CE1-CD1 4.4Å; F26-L73 HydrophobicContact CG-CD1 3.91Å; F26-K76 HydrophobicContact CE2-CD 4.45Å; F26-L77 HydrophobicContact CB-CD1 4.03Å; F26-L77 HydrophobicContact CB-CD2 3.48Å; F26-L77 VanDerWaalsContact CB-CD2 3.48Å; F26-L77 HydrophobicContact CB-CG 3.77Å; F26-L77 HydrophobicContact CD2-CD2 4.37Å; F26-L77 HydrophobicContact CG-CD2 4.43Å; F26-Y86 HydrophobicContact CB-CE2 4Å; F26-Y86 HydrophobicContact CD2-CD2 4.43Å; F26-Y86 AromaticContact CD2-CE2 3.69Å; F26-Y86 HydrophobicContact CD2-CE2 3.69Å; F26-Y86 HydrophobicContact CG-CE2 4.28Å; F26-Y86 PolarHBondContact N-OH 2.95Å
27	T	90.8	Very high	93	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.055	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-45.5	177.1	65.1	0	0	0	0	112.1	K25 T31 L77 Y86 E88 R107 F108 W201 I239	K25-T27 VanDerWaalsContact C-N 3.32Å; K25-T27 PolarHBondContact O-N 2.69Å; T27-T31 PolarHBondContact O-N 3.17Å; T27-T31 PolarHBondContact O-OG1 2.9Å; T27-T31 VanDerWaalsContact O-OG1 3.05Å; T27-L77 HydrophobicContact CG2-CD2 4.47Å; T27-Y86 HydrophobicContact CG2-CE1 3.81Å; T27-Y86 PolarHBondContact N-OH 2.6Å; T27-E88 WeakPolarHBondContact CB-OE2 3.25Å; T27-E88 PolarHBondContact N-OE2 3.35Å; T27-E88 VanDerWaalsContact OG1-CD 3.31Å; T27-E88 PolarHBondContact OG1-OE1 3.46Å; T27-E88 PolarHBondContact OG1-OE2 2.89Å; T27-R107 VanDerWaalsContact OG1-CD 3.28Å; T27-R107 WeakPolarHBondContact OG1-CD 3.09Å; T27-R107 PolarHBondContact OG1-NH1 2.79Å; T27-R107 VanDerWaalsContact OG1-NH1 3.17Å; T27-F108 HydrophobicContact CG2-CE1 4.19Å; T27-W201 HydrophobicContact CG2-CE3 4.48Å; T27-W201 HydrophobicContact CG2-CH2 3.64Å; T27-W201 HydrophobicContact CG2-CZ2 4.09Å; T27-W201 HydrophobicContact CG2-CZ3 3.86Å; T27-I239 HydrophobicContact CG2-CG2 4.39Å
28	E	90.9	Very high	93	Very high	15 Å²	15	43.1 Å²	43.1	7%	0.07	21%	0.214	C	C	.	.	H	α-helix	trans	-69.5	-41.9	176.4	-155.6	176.6	152.7	0	0	111.4	R16 L20 K25 L30 T31 C32 K103 R107	R16-E28 IonicContact CZ-OE1 3.86Å; R16-E28 IonicContact NE-OE1 3.53Å; R16-E28 PolarHBondContact NE-OE1 2.81Å; R16-E28 IonicContact NH2-OE1 2.75Å; R16-E28 PolarHBondContact NH2-OE1 2.88Å; L20-E28 HydrophobicContact CD1-CB 3.82Å; L20-E28 HydrophobicContact CD1-CG 3.6Å; L20-E28 HydrophobicContact CD2-CB 4.22Å; L20-E28 HydrophobicContact CD2-CG 4.32Å; L20-E28 HydrophobicContact CG-CB 4.5Å; K25-E28 PolarHBondContact O-N 2.84Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 2.82Å; E28-T31 PolarHBondContact O-N 3.05Å; E28-C32 PolarHBondContact O-N 2.87Å; E28-K103 WeakPolarHBondContact OE1-CE 3.46Å; E28-K103 IonicContact OE1-NZ 3.54Å; E28-K103 PolarHBondContact OE1-NZ 3.47Å; E28-R107 IonicContact OE2-CZ 3.01Å; E28-R107 IonicContact OE2-NH1 3.92Å; E28-R107 IonicContact OE2-NH2 3.46Å; E28-R107 PolarHBondContact OE2-NH2 2.84Å
29	S	93	Very high	93	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.4	-48.1	179.4	178.9	0	0	0	0	111.1	A17 E21 K25 F26 T31 C32 Y33	A17-S29 PolarHBondContact O-OG 2.93Å; E21-S29 WeakPolarHBondContact CB-OG 3.24Å; K25-S29 VanDerWaalsContact O-CB 3.26Å; K25-S29 WeakPolarHBondContact O-CB 3.5Å; K25-S29 PolarHBondContact O-N 3.1Å; F26-S29 PolarHBondContact O-N 2.91Å; S29-T31 VanDerWaalsContact C-N 3.33Å; S29-T31 PolarHBondContact O-N 3.06Å; S29-C32 PolarHBondContact O-N 3Å; S29-Y33 WeakPolarHBondContact O-CD2 3.45Å; S29-Y33 PolarHBondContact O-N 3.35Å; S29-Y33 VanDerWaalsContact OG-CE2 3.31Å; S29-Y33 WeakPolarHBondContact OG-CE2 3.31Å
30	L	93.5	Very high	93.1	Very high	20 Å²	20	38 Å²	38	11%	0.105	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-44.2	178.2	-179.7	60.9	0	0	0	111.8	F26 E28 C32 Y33 E34 A70 L73 K74 L77	F26-L30 WeakPolarHBondContact O-CB 3.33Å; F26-L30 PolarHBondContact O-N 3.29Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 2.82Å; L30-C32 VanDerWaalsContact C-N 3.33Å; L30-C32 PolarHBondContact O-N 2.8Å; L30-Y33 WeakPolarHBondContact O-CB 3.49Å; L30-Y33 PolarHBondContact O-N 3.08Å; L30-Y33 VanDerWaalsContact O-N 3.16Å; L30-E34 HydrophobicContact CD1-CG 4.4Å; L30-E34 WeakPolarHBondContact O-CG 3.33Å; L30-E34 PolarHBondContact O-N 3.02Å; L30-A70 HydrophobicContact CD1-CB 4.25Å; L30-L73 HydrophobicContact CB-CD2 4.18Å; L30-K74 HydrophobicContact CD1-CB 4.26Å; L30-K74 HydrophobicContact CD2-CB 4.02Å; L30-K74 HydrophobicContact CD2-CD 4.4Å; L30-K74 HydrophobicContact CD2-CG 4.07Å; L30-L77 HydrophobicContact CB-CD1 4.18Å; L30-L77 HydrophobicContact CD2-CD1 3.82Å
31	T	92.1	Very high	93.2	Very high	31 Å²	31	40.1 Å²	40.1	19%	0.19	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-44.3	177.2	-54.5	0	0	0	0	111.2	T27 E28 S29 E34 E35 R107	T27-T31 PolarHBondContact O-N 3.17Å; T27-T31 PolarHBondContact O-OG1 2.9Å; T27-T31 VanDerWaalsContact O-OG1 3.05Å; E28-T31 PolarHBondContact O-N 3.05Å; S29-T31 VanDerWaalsContact C-N 3.33Å; S29-T31 PolarHBondContact O-N 3.06Å; T31-E34 PolarHBondContact O-N 3.39Å; T31-E35 WeakPolarHBondContact O-CB 3.15Å; T31-E35 PolarHBondContact O-N 3.44Å; T31-R107 VanDerWaalsContact OG1-CB 3.27Å; T31-R107 WeakPolarHBondContact OG1-CB 3.46Å
32	C	94.2	Very high	93.4	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.02	22%	0.216	C	C	.	.	H	α-helix	trans	-67.1	-35.1	176.5	-70.3	0	0	0	0	112.6	V13 A17 E28 S29 L30 S36	V13-C32 HydrophobicContact CG1-CB 3.96Å; V13-C32 WeakPolarHBondContact CG1-O 3.48Å; A17-C32 HydrophobicContact CB-CB 3.57Å; E28-C32 PolarHBondContact O-N 2.87Å; S29-C32 PolarHBondContact O-N 3Å; L30-C32 VanDerWaalsContact C-N 3.33Å; L30-C32 PolarHBondContact O-N 2.8Å; C32-S36 VanDerWaalsContact O-CB 3.32Å; C32-S36 WeakPolarHBondContact O-CB 3.47Å; C32-S36 PolarHBondContact O-N 2.99Å; C32-S36 PolarHBondContact O-OG 3.12Å
33	Y	96.2	Very high	93.5	Very high	7 Å²	7	36.8 Å²	36.8	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-48.5	171.5	-85.6	-66.7	0	0	0	111.2	M14 A17 I18 E21 S29 L30 E35 S36 I37 H69 A70 L73	M14-Y33 HydrophobicContact CE-CD1 3.91Å; M14-Y33 HydrophobicContact CE-CE1 4.27Å; M14-Y33 HydrophobicContact SD-CD1 3.46Å; M14-Y33 WeakPolarHBondContact SD-CD1 3.38Å; M14-Y33 HydrophobicContact SD-CE1 3.29Å; M14-Y33 WeakPolarHBondContact SD-CE1 3.44Å; A17-Y33 HydrophobicContact CB-CD1 4.06Å; A17-Y33 HydrophobicContact CB-CD2 3.73Å; A17-Y33 HydrophobicContact CB-CE1 4.13Å; A17-Y33 HydrophobicContact CB-CE2 3.79Å; A17-Y33 HydrophobicContact CB-CG 3.84Å; I18-Y33 VanDerWaalsContact CG1-OH 3.25Å; I18-Y33 WeakPolarHBondContact CG1-OH 3.32Å; E21-Y33 PolarHBondContact OE2-OH 3.34Å; E21-Y33 VanDerWaalsContact OE2-OH 3.12Å; S29-Y33 WeakPolarHBondContact O-CD2 3.45Å; S29-Y33 PolarHBondContact O-N 3.35Å; S29-Y33 VanDerWaalsContact OG-CE2 3.31Å; S29-Y33 WeakPolarHBondContact OG-CE2 3.31Å; L30-Y33 WeakPolarHBondContact O-CB 3.49Å; L30-Y33 PolarHBondContact O-N 3.08Å; L30-Y33 VanDerWaalsContact O-N 3.16Å; Y33-E35 PolarHBondContact O-N 3.17Å; Y33-S36 WeakPolarHBondContact CA-OG 3.27Å; Y33-S36 PolarHBondContact O-N 3.01Å; Y33-S36 PolarHBondContact O-OG 3.46Å; Y33-I37 WeakPolarHBondContact O-CB 2.87Å; Y33-I37 VanDerWaalsContact O-CD1 3.29Å; Y33-I37 WeakPolarHBondContact O-CD1 3.36Å; Y33-I37 WeakPolarHBondContact O-CG1 3.4Å; Y33-I37 PolarHBondContact O-N 3.16Å; Y33-H69 AromaticContact CE1-CD2 3.62Å; Y33-H69 AromaticContact CE2-CD2 3.78Å; Y33-H69 AromaticContact CE2-NE2 3.89Å; Y33-H69 AromaticContact CZ-CD2 3.32Å; Y33-H69 AromaticContact CZ-NE2 3.57Å; Y33-H69 PolarHBondContact OH-CD2 3.26Å; Y33-H69 PolarHBondContact OH-NE2 3.46Å; Y33-A70 HydrophobicContact CG-CB 4.46Å; Y33-L73 HydrophobicContact CD2-CD2 3.88Å; Y33-L73 HydrophobicContact CE2-CD2 4.03Å
34	E	94.3	Very high	93.6	Very high	74 Å²	74	33.5 Å²	33.5	35%	0.346	17%	0.17	S	C	.	.	H	α-helix	trans	-62.9	-42.9	-180	-69.8	176.7	158.3	0	0	112	L30 T31 G38	L30-E34 HydrophobicContact CD1-CG 4.4Å; L30-E34 WeakPolarHBondContact O-CG 3.33Å; L30-E34 PolarHBondContact O-N 3.02Å; T31-E34 PolarHBondContact O-N 3.39Å; E34-G38 PolarHBondContact O-N 3.25Å
35	E	93.8	Very high	93.8	Very high	106 Å²	106	37.7 Å²	37.7	50%	0.495	18%	0.178	S	C	.	.	H	α-helix	trans	-62	-50.3	176.5	-176.5	-175.4	169.7	0	0	111.9	V13 T31 Y33 I37 G38 L39	V13-E35 HydrophobicContact CG1-CB 4.13Å; V13-E35 HydrophobicContact CG1-CG 4.2Å; T31-E35 WeakPolarHBondContact O-CB 3.15Å; T31-E35 PolarHBondContact O-N 3.44Å; Y33-E35 PolarHBondContact O-N 3.17Å; E35-I37 PolarHBondContact O-N 2.94Å; E35-G38 WeakPolarHBondContact O-CA 3.4Å; E35-G38 PolarHBondContact O-N 2.92Å; E35-G38 VanDerWaalsContact O-N 3.15Å; E35-L39 WeakPolarHBondContact O-CG 3.47Å; E35-L39 PolarHBondContact O-N 2.81Å
36	S	96.5	Very high	93.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-42.1	-179.7	55.2	0	0	0	0	112.2	G10 M14 C32 Y33 G38 L39 F40	G10-S36 VanDerWaalsContact O-CB 3.26Å; G10-S36 WeakPolarHBondContact O-CB 3.39Å; M14-S36 WeakPolarHBondContact CE-OG 3.44Å; C32-S36 VanDerWaalsContact O-CB 3.32Å; C32-S36 WeakPolarHBondContact O-CB 3.47Å; C32-S36 PolarHBondContact O-N 2.99Å; C32-S36 PolarHBondContact O-OG 3.12Å; Y33-S36 WeakPolarHBondContact CA-OG 3.27Å; Y33-S36 PolarHBondContact O-N 3.01Å; Y33-S36 PolarHBondContact O-OG 3.46Å; S36-G38 VanDerWaalsContact C-N 3.32Å; S36-G38 PolarHBondContact O-N 3.24Å; S36-L39 PolarHBondContact O-N 3.45Å; S36-F40 VanDerWaalsContact O-CD2 3.27Å; S36-F40 WeakPolarHBondContact O-CD2 2.97Å; S36-F40 WeakPolarHBondContact O-CG 3.46Å; S36-F40 PolarHBondContact O-N 3.27Å
37	I	97.3	Very high	93.7	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.077	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-44	172.3	-70.3	163.3	0	0	0	110.4	M14 Y33 E35 L39 F40 I41 V63 I67 A70	M14-I37 HydrophobicContact CE-CG1 4.39Å; Y33-I37 WeakPolarHBondContact O-CB 2.87Å; Y33-I37 VanDerWaalsContact O-CD1 3.29Å; Y33-I37 WeakPolarHBondContact O-CD1 3.36Å; Y33-I37 WeakPolarHBondContact O-CG1 3.4Å; Y33-I37 PolarHBondContact O-N 3.16Å; E35-I37 PolarHBondContact O-N 2.94Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 3.35Å; I37-F40 PolarHBondContact O-N 3.47Å; I37-I41 HydrophobicContact CG2-CD1 3.75Å; I37-I41 HydrophobicContact CG2-CG1 4.32Å; I37-I41 WeakPolarHBondContact O-CG1 3.36Å; I37-I41 PolarHBondContact O-N 2.86Å; I37-V63 HydrophobicContact CG2-CG1 4.43Å; I37-I67 HydrophobicContact CD1-CG1 4.04Å; I37-I67 HydrophobicContact CG1-CG1 4.37Å; I37-I67 HydrophobicContact CG2-CD1 4.15Å; I37-I67 HydrophobicContact CG2-CG1 3.66Å; I37-A70 HydrophobicContact CD1-CB 3.95Å
38	G	95.6	Very high	93.4	Very high	28 Å²	28	41.9 Å²	41.9	29%	0.289	21%	0.212	S	C	.	.	H	α-helix	trans	-58	-42.7	175.9	0	0	0	0	0	112.9	E34 E35 S36 K42	E34-G38 PolarHBondContact O-N 3.25Å; E35-G38 WeakPolarHBondContact O-CA 3.4Å; E35-G38 PolarHBondContact O-N 2.92Å; E35-G38 VanDerWaalsContact O-N 3.15Å; S36-G38 VanDerWaalsContact C-N 3.32Å; S36-G38 PolarHBondContact O-N 3.24Å; G38-K42 WeakPolarHBondContact O-CG 3.28Å; G38-K42 PolarHBondContact O-N 3.5Å; G38-K42 VanDerWaalsContact O-N 3.11Å
39	L	97	Very high	92.8	Very high	27 Å²	27	47 Å²	47	14%	0.141	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-43.4	174.6	-69.5	170.1	0	0	0	111.8	L6 A9 V13 E35 S36 I37 K42 A43	L6-L39 HydrophobicContact CD2-CD2 4.06Å; A9-L39 HydrophobicContact CB-CD1 4.14Å; V13-L39 HydrophobicContact CG2-CD1 4.42Å; E35-L39 WeakPolarHBondContact O-CG 3.47Å; E35-L39 PolarHBondContact O-N 2.81Å; S36-L39 PolarHBondContact O-N 3.45Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 3.35Å; L39-K42 WeakPolarHBondContact O-CB 3.24Å; L39-K42 PolarHBondContact O-N 2.98Å; L39-A43 PolarHBondContact O-N 2.73Å
40	F	97.3	Very high	92.1	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-65.9	-38	177.8	-62.8	-31.9	0	0	0	113.2	G10 M14 S36 I37 A43 L44 F59 V63 Y66	G10-F40 WeakPolarHBondContact O-CZ 3.38Å; M14-F40 HydrophobicContact CB-CE2 4.35Å; M14-F40 HydrophobicContact CB-CZ 4.25Å; M14-F40 HydrophobicContact CE-CD2 4.35Å; M14-F40 HydrophobicContact CE-CE2 3.66Å; S36-F40 VanDerWaalsContact O-CD2 3.27Å; S36-F40 WeakPolarHBondContact O-CD2 2.97Å; S36-F40 WeakPolarHBondContact O-CG 3.46Å; S36-F40 PolarHBondContact O-N 3.27Å; I37-F40 PolarHBondContact O-N 3.47Å; F40-A43 WeakPolarHBondContact O-CB 3.34Å; F40-A43 PolarHBondContact O-N 3.35Å; F40-L44 PolarHBondContact O-N 3.29Å; F40-F59 HydrophobicContact CB-CE1 4.34Å; F40-F59 HydrophobicContact CB-CE2 4.46Å; F40-F59 HydrophobicContact CB-CZ 3.7Å; F40-F59 HydrophobicContact CD1-CE2 4.09Å; F40-F59 AromaticContact CD1-CZ 3.57Å; F40-F59 HydrophobicContact CD1-CZ 3.57Å; F40-F59 HydrophobicContact CE1-CE2 4.47Å; F40-F59 HydrophobicContact CE1-CZ 4.32Å; F40-F59 HydrophobicContact CG-CE2 4.22Å; F40-F59 AromaticContact CG-CZ 3.76Å; F40-F59 HydrophobicContact CG-CZ 3.76Å; F40-V63 HydrophobicContact CB-CG1 4.46Å; F40-V63 HydrophobicContact CB-CG2 3.52Å; F40-V63 HydrophobicContact CD2-CG2 4.17Å; F40-V63 HydrophobicContact CG-CG2 4.15Å; F40-Y66 HydrophobicContact CD2-CD2 4.25Å; F40-Y66 AromaticContact CE2-CD2 3.95Å; F40-Y66 HydrophobicContact CE2-CD2 3.95Å; F40-Y66 AromaticContact CE2-CE2 3.9Å; F40-Y66 HydrophobicContact CE2-CE2 3.9Å
41	I	95.7	Very high	91.4	Very high	56 Å²	56	57 Å²	57	29%	0.287	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-42.8	174	-69.8	170.4	0	0	0	110.5	I37 A43 L44 R45 V63	I37-I41 HydrophobicContact CG2-CD1 3.75Å; I37-I41 HydrophobicContact CG2-CG1 4.32Å; I37-I41 WeakPolarHBondContact O-CG1 3.36Å; I37-I41 PolarHBondContact O-N 2.86Å; I41-A43 VanDerWaalsContact C-N 3.29Å; I41-A43 PolarHBondContact O-N 3.38Å; I41-L44 PolarHBondContact O-N 2.89Å; I41-R45 WeakPolarHBondContact O-CG 3.17Å; I41-R45 PolarHBondContact O-N 3.09Å; I41-R45 VanDerWaalsContact O-N 3.1Å; I41-V63 HydrophobicContact CG1-CG1 4.15Å
42	K	95.3	Very high	90.7	Very high	122 Å²	122	61.7 Å²	61.7	53%	0.53	32%	0.316	S	S	.	.	H	α-helix	trans	-61.3	-39.2	173.8	-71.2	170.4	-177.3	172.9	0	111.4	L6 G38 L39 R45 S46	L6-K42 HydrophobicContact CD1-CB 4.01Å; G38-K42 WeakPolarHBondContact O-CG 3.28Å; G38-K42 PolarHBondContact O-N 3.5Å; G38-K42 VanDerWaalsContact O-N 3.11Å; L39-K42 WeakPolarHBondContact O-CB 3.24Å; L39-K42 PolarHBondContact O-N 2.98Å; K42-R45 PolarHBondContact O-N 3.25Å; K42-S46 PolarHBondContact O-N 2.92Å; K42-S46 PolarHBondContact O-OG 2.92Å
43	A	93.7	Very high	90.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.7	-47.9	175.4	0	0	0	0	0	111.8	L6 I7 L39 F40 I41 R45 S46 I47 F59	L6-A43 HydrophobicContact CB-CB 3.74Å; L6-A43 HydrophobicContact CD1-CB 4.35Å; I7-A43 HydrophobicContact CD1-CB 4.39Å; I7-A43 HydrophobicContact CG1-CB 3.68Å; L39-A43 PolarHBondContact O-N 2.73Å; F40-A43 WeakPolarHBondContact O-CB 3.34Å; F40-A43 PolarHBondContact O-N 3.35Å; I41-A43 VanDerWaalsContact C-N 3.29Å; I41-A43 PolarHBondContact O-N 3.38Å; A43-R45 VanDerWaalsContact C-N 3.29Å; A43-R45 PolarHBondContact O-N 3.08Å; A43-S46 WeakPolarHBondContact O-CA 3.18Å; A43-S46 WeakPolarHBondContact O-CB 3.26Å; A43-S46 PolarHBondContact O-N 3.24Å; A43-I47 WeakPolarHBondContact O-CG1 3.46Å; A43-I47 PolarHBondContact O-N 3.15Å; A43-F59 HydrophobicContact CB-CE1 4.14Å
44	L	92.7	Very high	89.9	Confident	17 Å²	17	71.1 Å²	71.1	9%	0.089	37%	0.366	C	S	.	.	H	α-helix	trans	-56.8	-40.7	178	-82	167.4	0	0	0	112.7	F40 I41 S46 I47 K56 F59 R60 V63	F40-L44 PolarHBondContact O-N 3.29Å; I41-L44 PolarHBondContact O-N 2.89Å; L44-S46 PolarHBondContact O-N 3.26Å; L44-I47 PolarHBondContact O-N 3.3Å; L44-K56 HydrophobicContact CD2-CG 4.1Å; L44-F59 HydrophobicContact CD1-CD1 4.44Å; L44-F59 HydrophobicContact CD2-CB 4.35Å; L44-F59 HydrophobicContact CD2-CD1 3.47Å; L44-F59 VanDerWaalsContact CD2-CD1 3.47Å; L44-F59 HydrophobicContact CD2-CE1 4.17Å; L44-F59 HydrophobicContact CD2-CG 4.27Å; L44-F59 HydrophobicContact CG-CD1 3.64Å; L44-F59 HydrophobicContact CG-CE1 3.8Å; L44-R60 HydrophobicContact CD1-CB 4.4Å; L44-R60 HydrophobicContact CD2-CB 4.19Å; L44-V63 HydrophobicContact CD1-CB 4.24Å; L44-V63 HydrophobicContact CD1-CG1 4.44Å; L44-V63 HydrophobicContact CD1-CG2 3.95Å
45	R	90.9	Very high	89.6	Confident	202 Å²	202	71 Å²	71	76%	0.762	37%	0.365	S	S	*	.	H	α-helix	trans	-68.3	-24.3	176.2	-69.7	175.4	-175.5	179	2.8	113.2	I41 K42 A43	I41-R45 WeakPolarHBondContact O-CG 3.17Å; I41-R45 PolarHBondContact O-N 3.09Å; I41-R45 VanDerWaalsContact O-N 3.1Å; K42-R45 PolarHBondContact O-N 3.25Å; A43-R45 VanDerWaalsContact C-N 3.29Å; A43-R45 PolarHBondContact O-N 3.08Å
46	S	90.1	Very high	89.4	Confident	62 Å²	62	67.6 Å²	67.6	43%	0.434	35%	0.348	S	S	.	.	H	α-helix	trans	-88.1	-9.8	-179.1	-54.3	0	0	0	0	113.2	K42 A43 L44 P48	K42-S46 PolarHBondContact O-N 2.92Å; K42-S46 PolarHBondContact O-OG 2.92Å; A43-S46 WeakPolarHBondContact O-CA 3.18Å; A43-S46 WeakPolarHBondContact O-CB 3.26Å; A43-S46 PolarHBondContact O-N 3.24Å; L44-S46 PolarHBondContact O-N 3.26Å; S46-P48 WeakPolarHBondContact O-CD 3.34Å
47	I	87.2	Confident	89.2	Confident	12 Å²	12	72.2 Å²	72.2	6%	0.062	37%	0.373	C	S	.	.	S	Bend	trans	-86.3	118.3	176.3	-62.2	165.6	0	0	0	108.6	A43 L44 F55 K56	A43-I47 WeakPolarHBondContact O-CG1 3.46Å; A43-I47 PolarHBondContact O-N 3.15Å; L44-I47 PolarHBondContact O-N 3.3Å; I47-F55 HydrophobicContact CD1-CD1 4.41Å; I47-F55 HydrophobicContact CD1-CE1 4.03Å; I47-K56 HydrophobicContact CB-CD 4.36Å; I47-K56 HydrophobicContact CG2-CB 4.45Å; I47-K56 HydrophobicContact CG2-CD 4.05Å; I47-K56 HydrophobicContact CG2-CG 4.42Å; I47-K56 PolarHBondContact O-NZ 2.85Å
48	P	84	Confident	88.9	Confident	79 Å²	79	78.4 Å²	78.4	51%	0.513	40%	0.396	S	S	.	.			trans	-60.3	140.5	176.5	-20.1	31.4	0	0	0	111.6	S46 N50 T51	S46-P48 WeakPolarHBondContact O-CD 3.34Å; P48-N50 PolarHBondContact O-N 3.08Å; P48-N50 VanDerWaalsContact O-N 3.16Å; P48-T51 WeakPolarHBondContact O-CB 3.42Å; P48-T51 PolarHBondContact O-N 3.28Å
49	D	78.2	Confident	88.8	Confident	122 Å²	122	78.1 Å²	78.1	65%	0.652	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.3	-176.5	-67.5	-36.4	0	0	0	113.6	T51 K56	D49-T51 VanDerWaalsContact C-N 3.27Å; D49-T51 PolarHBondContact O-N 2.92Å; D49-K56 IonicContact OD1-NZ 2.8Å; D49-K56 PolarHBondContact OD1-NZ 2.89Å
50	N	78.8	Confident	88.7	Confident	162 Å²	162	85 Å²	85	87%	0.866	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	0.3	179.9	-61.5	-26	0	0	0	113.3	P48	P48-N50 PolarHBondContact O-N 3.08Å; P48-N50 VanDerWaalsContact O-N 3.16Å
51	T	77.8	Confident	88.6	Confident	68 Å²	68	90.4 Å²	90.4	42%	0.417	44%	0.439	S	S	.	.	S	Bend	trans	-106.7	116.3	-178.6	-55.9	0	0	0	0	110.2	P48 D49	P48-T51 WeakPolarHBondContact O-CB 3.42Å; P48-T51 PolarHBondContact O-N 3.28Å; D49-T51 VanDerWaalsContact C-N 3.27Å; D49-T51 PolarHBondContact O-N 2.92Å
52	Q	78	Confident	88.6	Confident	129 Å²	129	91.7 Å²	91.7	60%	0.603	44%	0.442	S	S	*	.			trans	46.6	61.3	174.5	-59	-175.6	-8.5	0	0	113.9	E54 F55 K56	Q52-E54 VanDerWaalsContact C-N 3.27Å; Q52-E54 PolarHBondContact O-N 2.93Å; Q52-F55 HydrophobicContact CB-CB 3.94Å; Q52-F55 WeakPolarHBondContact O-CB 3.48Å; Q52-F55 PolarHBondContact O-N 2.79Å; Q52-K56 PolarHBondContact O-N 2.87Å; Q52-K56 VanDerWaalsContact O-N 3.1Å
53	P	85.4	Confident	88.7	Confident	75 Å²	75	86.1 Å²	86.1	49%	0.487	42%	0.418	S	S	.	.	H	α-helix	trans	-54.6	-42.5	-174.8	21.9	-33.5	0	0	0	112.5	F55 K56 D57	P53-F55 VanDerWaalsContact C-N 3.33Å; P53-F55 PolarHBondContact O-N 3.26Å; P53-K56 WeakPolarHBondContact O-CB 3.3Å; P53-K56 PolarHBondContact O-N 3.48Å; P53-D57 PolarHBondContact O-N 3.11Å
54	E	88.1	Confident	88.8	Confident	133 Å²	133	89.1 Å²	89.1	62%	0.621	44%	0.44	S	S	*	.	H	α-helix	trans	-62	-37.3	178.3	-59.4	-176.9	-176.8	0	0	113.7	Q52 R58	Q52-E54 VanDerWaalsContact C-N 3.27Å; Q52-E54 PolarHBondContact O-N 2.93Å; E54-R58 WeakPolarHBondContact O-CB 3.27Å; E54-R58 VanDerWaalsContact O-CG 3.32Å; E54-R58 WeakPolarHBondContact O-CG 3.49Å; E54-R58 PolarHBondContact O-N 3.11Å; E54-R58 IonicContact OE2-NH1 3.42Å; E54-R58 PolarHBondContact OE2-NH1 3.31Å
55	F	88.7	Confident	89.1	Confident	71 Å²	71	93.5 Å²	93.5	31%	0.311	46%	0.459	S	S	.	.	H	α-helix	trans	-67.5	-45.2	176.4	171.9	-97.3	0	0	0	110.2	I7 I47 Q52 P53 D57 R58 F59	I7-F55 HydrophobicContact CD1-CE1 4.29Å; I7-F55 HydrophobicContact CD1-CZ 4.12Å; I47-F55 HydrophobicContact CD1-CD1 4.41Å; I47-F55 HydrophobicContact CD1-CE1 4.03Å; Q52-F55 HydrophobicContact CB-CB 3.94Å; Q52-F55 WeakPolarHBondContact O-CB 3.48Å; Q52-F55 PolarHBondContact O-N 2.79Å; P53-F55 VanDerWaalsContact C-N 3.33Å; P53-F55 PolarHBondContact O-N 3.26Å; F55-D57 VanDerWaalsContact C-N 3.31Å; F55-D57 PolarHBondContact O-N 3.03Å; F55-R58 PolarHBondContact O-N 3.35Å; F55-F59 VanDerWaalsContact O-CB 3.25Å; F55-F59 WeakPolarHBondContact O-CB 3.39Å; F55-F59 PolarHBondContact O-N 3.3Å
56	K	89.1	Confident	89.3	Confident	35 Å²	35	86.4 Å²	86.4	15%	0.152	43%	0.433	C	S	.	.	H	α-helix	trans	-59.6	-42.8	178.1	-170.9	174.8	-177.9	169	0	111.3	L44 I47 D49 Q52 P53 F59 R60	L44-K56 HydrophobicContact CD2-CG 4.1Å; I47-K56 HydrophobicContact CB-CD 4.36Å; I47-K56 HydrophobicContact CG2-CB 4.45Å; I47-K56 HydrophobicContact CG2-CD 4.05Å; I47-K56 HydrophobicContact CG2-CG 4.42Å; I47-K56 PolarHBondContact O-NZ 2.85Å; D49-K56 IonicContact OD1-NZ 2.8Å; D49-K56 PolarHBondContact OD1-NZ 2.89Å; Q52-K56 PolarHBondContact O-N 2.87Å; Q52-K56 VanDerWaalsContact O-N 3.1Å; P53-K56 WeakPolarHBondContact O-CB 3.3Å; P53-K56 PolarHBondContact O-N 3.48Å; K56-F59 PolarHBondContact O-N 2.96Å; K56-R60 WeakPolarHBondContact O-CB 3.37Å; K56-R60 PolarHBondContact O-N 2.82Å
57	D	91.5	Very high	89.6	Confident	98 Å²	98	86.1 Å²	86.1	52%	0.524	43%	0.426	S	S	.	.	H	α-helix	trans	-66.5	-48.6	178	-71.3	-21.6	0	0	0	112	P53 F55 F59 R60 L61	P53-D57 PolarHBondContact O-N 3.11Å; F55-D57 VanDerWaalsContact C-N 3.31Å; F55-D57 PolarHBondContact O-N 3.03Å; D57-F59 VanDerWaalsContact C-N 3.29Å; D57-F59 PolarHBondContact O-N 3.04Å; D57-R60 WeakPolarHBondContact O-CB 3.43Å; D57-R60 PolarHBondContact O-N 3.4Å; D57-L61 WeakPolarHBondContact O-CG 3.47Å; D57-L61 PolarHBondContact O-N 2.95Å
58	R	92.6	Very high	90.1	Very high	145 Å²	145	88.3 Å²	88.3	55%	0.547	44%	0.44	S	S	.	.	H	α-helix	trans	-59	-42.3	175.1	-74.2	-170.2	-61	-99.8	2	111.8	E54 F55 L61 K62	E54-R58 WeakPolarHBondContact O-CB 3.27Å; E54-R58 VanDerWaalsContact O-CG 3.32Å; E54-R58 WeakPolarHBondContact O-CG 3.49Å; E54-R58 PolarHBondContact O-N 3.11Å; E54-R58 IonicContact OE2-NH1 3.42Å; E54-R58 PolarHBondContact OE2-NH1 3.31Å; F55-R58 PolarHBondContact O-N 3.35Å; R58-L61 PolarHBondContact O-N 3.12Å; R58-K62 PolarHBondContact O-N 3.49Å
59	F	93.4	Very high	90.7	Very high	22 Å²	22	87.5 Å²	87.5	10%	0.096	43%	0.429	C	S	.	.	H	α-helix	trans	-67.5	-40.3	178.9	-173.7	-131.2	0	0	0	111.5	I7 F40 A43 L44 F55 K56 D57 L61 K62 V63	I7-F59 HydrophobicContact CD1-CD1 4.44Å; I7-F59 HydrophobicContact CD1-CE1 4.01Å; I7-F59 HydrophobicContact CD1-CZ 4.2Å; I7-F59 HydrophobicContact CG1-CE1 3.88Å; I7-F59 HydrophobicContact CG1-CZ 3.74Å; I7-F59 HydrophobicContact CG2-CZ 4.47Å; F40-F59 HydrophobicContact CB-CE1 4.34Å; F40-F59 HydrophobicContact CB-CE2 4.46Å; F40-F59 HydrophobicContact CB-CZ 3.7Å; F40-F59 HydrophobicContact CD1-CE2 4.09Å; F40-F59 AromaticContact CD1-CZ 3.57Å; F40-F59 HydrophobicContact CD1-CZ 3.57Å; F40-F59 HydrophobicContact CE1-CE2 4.47Å; F40-F59 HydrophobicContact CE1-CZ 4.32Å; F40-F59 HydrophobicContact CG-CE2 4.22Å; F40-F59 AromaticContact CG-CZ 3.76Å; F40-F59 HydrophobicContact CG-CZ 3.76Å; A43-F59 HydrophobicContact CB-CE1 4.14Å; L44-F59 HydrophobicContact CD1-CD1 4.44Å; L44-F59 HydrophobicContact CD2-CB 4.35Å; L44-F59 HydrophobicContact CD2-CD1 3.47Å; L44-F59 VanDerWaalsContact CD2-CD1 3.47Å; L44-F59 HydrophobicContact CD2-CE1 4.17Å; L44-F59 HydrophobicContact CD2-CG 4.27Å; L44-F59 HydrophobicContact CG-CD1 3.64Å; L44-F59 HydrophobicContact CG-CE1 3.8Å; F55-F59 VanDerWaalsContact O-CB 3.25Å; F55-F59 WeakPolarHBondContact O-CB 3.39Å; F55-F59 PolarHBondContact O-N 3.3Å; K56-F59 PolarHBondContact O-N 2.96Å; D57-F59 VanDerWaalsContact C-N 3.29Å; D57-F59 PolarHBondContact O-N 3.04Å; F59-L61 PolarHBondContact O-N 3.39Å; F59-K62 PolarHBondContact O-N 3.3Å; F59-V63 HydrophobicContact CD2-CG2 4.39Å; F59-V63 HydrophobicContact CE1-CG2 4.42Å; F59-V63 HydrophobicContact CE2-CG2 4.09Å; F59-V63 HydrophobicContact CZ-CG2 4.09Å; F59-V63 WeakPolarHBondContact O-CG2 2.71Å; F59-V63 PolarHBondContact O-N 2.92Å
60	R	94.4	Very high	91.5	Very high	172 Å²	172	82.1 Å²	82.1	65%	0.649	40%	0.402	S	S	*	.	H	α-helix	trans	-59.1	-45.5	173.5	-175.7	-175.8	-178.6	85.3	3	112	L44 K56 D57 K62 V63 S64	L44-R60 HydrophobicContact CD1-CB 4.4Å; L44-R60 HydrophobicContact CD2-CB 4.19Å; K56-R60 WeakPolarHBondContact O-CB 3.37Å; K56-R60 PolarHBondContact O-N 2.82Å; D57-R60 WeakPolarHBondContact O-CB 3.43Å; D57-R60 PolarHBondContact O-N 3.4Å; R60-K62 VanDerWaalsContact C-N 3.3Å; R60-K62 PolarHBondContact O-N 2.95Å; R60-V63 PolarHBondContact O-N 3.08Å; R60-S64 PolarHBondContact O-N 3.12Å
61	L	96.1	Very high	92.3	Very high	116 Å²	116	80.3 Å²	80.3	61%	0.607	39%	0.388	S	S	*	.	H	α-helix	trans	-59.2	-44.7	175.2	-70.5	172.4	0	0	0	110.8	D57 R58 F59 V63 S64 E65	D57-L61 WeakPolarHBondContact O-CG 3.47Å; D57-L61 PolarHBondContact O-N 2.95Å; R58-L61 PolarHBondContact O-N 3.12Å; F59-L61 PolarHBondContact O-N 3.39Å; L61-V63 PolarHBondContact O-N 3.24Å; L61-S64 VanDerWaalsContact O-CB 3.32Å; L61-S64 WeakPolarHBondContact O-CB 2.97Å; L61-S64 PolarHBondContact O-N 3.25Å; L61-S64 VanDerWaalsContact O-N 3.11Å; L61-E65 PolarHBondContact O-N 3.46Å
62	K	95.3	Very high	93.1	Very high	84 Å²	84	83.6 Å²	83.6	37%	0.365	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-40.4	178.4	-168.1	63.5	-174.4	169.8	0	113	R58 F59 R60 S64 E65 Y66	R58-K62 PolarHBondContact O-N 3.49Å; F59-K62 PolarHBondContact O-N 3.3Å; R60-K62 VanDerWaalsContact C-N 3.3Å; R60-K62 PolarHBondContact O-N 2.95Å; K62-S64 VanDerWaalsContact C-N 3.31Å; K62-S64 PolarHBondContact O-N 3.41Å; K62-E65 VanDerWaalsContact CD-OE2 3.32Å; K62-E65 WeakPolarHBondContact CD-OE2 3.45Å; K62-E65 IonicContact NZ-OE2 3.32Å; K62-E65 PolarHBondContact NZ-OE2 2.62Å; K62-E65 WeakPolarHBondContact O-CB 2.98Å; K62-E65 PolarHBondContact O-N 3.25Å; K62-Y66 HydrophobicContact CD-CE2 4.33Å; K62-Y66 WeakPolarHBondContact CE-OH 3.39Å; K62-Y66 HydrophobicContact CG-CD2 4.26Å; K62-Y66 HydrophobicContact CG-CE2 3.69Å; K62-Y66 VanDerWaalsContact O-CD2 3.23Å; K62-Y66 WeakPolarHBondContact O-CD2 3.43Å; K62-Y66 PolarHBondContact O-N 3.49Å; K62-Y66 VanDerWaalsContact O-N 3.11Å
63	V	96.1	Very high	93.8	Very high	4 Å²	4	77.7 Å²	77.7	2%	0.024	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-39.5	173.8	174.6	0	0	0	0	111.1	I37 F40 I41 L44 F59 R60 L61 E65 Y66 I67	I37-V63 HydrophobicContact CG2-CG1 4.43Å; F40-V63 HydrophobicContact CB-CG1 4.46Å; F40-V63 HydrophobicContact CB-CG2 3.52Å; F40-V63 HydrophobicContact CD2-CG2 4.17Å; F40-V63 HydrophobicContact CG-CG2 4.15Å; I41-V63 HydrophobicContact CG1-CG1 4.15Å; L44-V63 HydrophobicContact CD1-CB 4.24Å; L44-V63 HydrophobicContact CD1-CG1 4.44Å; L44-V63 HydrophobicContact CD1-CG2 3.95Å; F59-V63 HydrophobicContact CD2-CG2 4.39Å; F59-V63 HydrophobicContact CE1-CG2 4.42Å; F59-V63 HydrophobicContact CE2-CG2 4.09Å; F59-V63 HydrophobicContact CZ-CG2 4.09Å; F59-V63 WeakPolarHBondContact O-CG2 2.71Å; F59-V63 PolarHBondContact O-N 2.92Å; R60-V63 PolarHBondContact O-N 3.08Å; L61-V63 PolarHBondContact O-N 3.24Å; V63-E65 VanDerWaalsContact C-N 3.34Å; V63-E65 PolarHBondContact O-N 3.31Å; V63-Y66 PolarHBondContact O-N 2.92Å; V63-I67 HydrophobicContact CG1-CD1 4.02Å; V63-I67 HydrophobicContact CG1-CG1 4.5Å; V63-I67 WeakPolarHBondContact O-CG1 3.42Å; V63-I67 PolarHBondContact O-N 3.11Å
64	S	97.5	Very high	94.1	Very high	64 Å²	64	78.9 Å²	78.9	45%	0.448	37%	0.367	S	S	.	.	H	α-helix	trans	-63.3	-37.9	175.2	-164.5	0	0	0	0	112.8	R60 L61 K62 I67 T68	R60-S64 PolarHBondContact O-N 3.12Å; L61-S64 VanDerWaalsContact O-CB 3.32Å; L61-S64 WeakPolarHBondContact O-CB 2.97Å; L61-S64 PolarHBondContact O-N 3.25Å; L61-S64 VanDerWaalsContact O-N 3.11Å; K62-S64 VanDerWaalsContact C-N 3.31Å; K62-S64 PolarHBondContact O-N 3.41Å; S64-I67 PolarHBondContact O-N 2.97Å; S64-T68 PolarHBondContact O-N 2.78Å; S64-T68 PolarHBondContact O-OG1 2.93Å
65	E	97	Very high	94.2	Very high	108 Å²	108	77.4 Å²	77.4	51%	0.505	36%	0.36	S	S	.	.	H	α-helix	trans	-61.1	-45.1	172.5	-69.4	175.2	-171.2	0	0	111.1	L61 K62 V63 T68 H69	L61-E65 PolarHBondContact O-N 3.46Å; K62-E65 VanDerWaalsContact CD-OE2 3.32Å; K62-E65 WeakPolarHBondContact CD-OE2 3.45Å; K62-E65 IonicContact NZ-OE2 3.32Å; K62-E65 PolarHBondContact NZ-OE2 2.62Å; K62-E65 WeakPolarHBondContact O-CB 2.98Å; K62-E65 PolarHBondContact O-N 3.25Å; V63-E65 VanDerWaalsContact C-N 3.34Å; V63-E65 PolarHBondContact O-N 3.31Å; E65-T68 PolarHBondContact O-N 2.49Å; E65-H69 WeakPolarHBondContact O-CB 3.37Å; E65-H69 PolarHBondContact O-N 3.05Å
66	Y	96.6	Very high	94.3	Very high	53 Å²	53	78 Å²	78	21%	0.208	36%	0.362	C	S	.	.	H	α-helix	trans	-65	-38.9	177.8	-67.1	-47.7	0	0	0	112.9	M14 F40 K62 V63 H69 A70	M14-Y66 HydrophobicContact CE-CD1 3.72Å; M14-Y66 HydrophobicContact CE-CD2 3.61Å; M14-Y66 HydrophobicContact CE-CE1 4.13Å; M14-Y66 HydrophobicContact CE-CE2 3.99Å; M14-Y66 HydrophobicContact CE-CG 3.45Å; M14-Y66 VanDerWaalsContact CE-CG 3.45Å; M14-Y66 HydrophobicContact CG-CE1 4.06Å; M14-Y66 HydrophobicContact CG-CE2 4.35Å; M14-Y66 HydrophobicContact SD-CD1 3.77Å; M14-Y66 HydrophobicContact SD-CE1 3.82Å; M14-Y66 HydrophobicContact SD-CG 4.16Å; F40-Y66 HydrophobicContact CD2-CD2 4.25Å; F40-Y66 AromaticContact CE2-CD2 3.95Å; F40-Y66 HydrophobicContact CE2-CD2 3.95Å; F40-Y66 AromaticContact CE2-CE2 3.9Å; F40-Y66 HydrophobicContact CE2-CE2 3.9Å; K62-Y66 HydrophobicContact CD-CE2 4.33Å; K62-Y66 WeakPolarHBondContact CE-OH 3.39Å; K62-Y66 HydrophobicContact CG-CD2 4.26Å; K62-Y66 HydrophobicContact CG-CE2 3.69Å; K62-Y66 VanDerWaalsContact O-CD2 3.23Å; K62-Y66 WeakPolarHBondContact O-CD2 3.43Å; K62-Y66 PolarHBondContact O-N 3.49Å; K62-Y66 VanDerWaalsContact O-N 3.11Å; V63-Y66 PolarHBondContact O-N 2.92Å; Y66-H69 PolarHBondContact O-N 3.42Å; Y66-A70 WeakPolarHBondContact O-CB 3.17Å; Y66-A70 PolarHBondContact O-N 2.78Å
67	I	96.9	Very high	94.2	Very high	57 Å²	57	76.7 Å²	76.7	29%	0.292	36%	0.357	S	S	.	.	H	α-helix	trans	-59	-49.7	172.6	-69.6	164.5	0	0	0	110.3	I37 V63 S64 H69 A70 E71	I37-I67 HydrophobicContact CD1-CG1 4.04Å; I37-I67 HydrophobicContact CG1-CG1 4.37Å; I37-I67 HydrophobicContact CG2-CD1 4.15Å; I37-I67 HydrophobicContact CG2-CG1 3.66Å; V63-I67 HydrophobicContact CG1-CD1 4.02Å; V63-I67 HydrophobicContact CG1-CG1 4.5Å; V63-I67 WeakPolarHBondContact O-CG1 3.42Å; V63-I67 PolarHBondContact O-N 3.11Å; S64-I67 PolarHBondContact O-N 2.97Å; I67-H69 PolarHBondContact O-N 3.23Å; I67-A70 PolarHBondContact O-N 2.99Å; I67-E71 HydrophobicContact CG2-CG 4.48Å; I67-E71 WeakPolarHBondContact O-CG 3.32Å; I67-E71 PolarHBondContact O-N 2.82Å
68	T	97.5	Very high	94	Very high	57 Å²	57	78 Å²	78	35%	0.35	36%	0.358	S	S	.	.	H	α-helix	trans	-60.5	-37.6	179.4	-54.1	0	0	0	0	111.4	S64 E65 K72	S64-T68 PolarHBondContact O-N 2.78Å; S64-T68 PolarHBondContact O-OG1 2.93Å; E65-T68 PolarHBondContact O-N 2.49Å; T68-K72 WeakPolarHBondContact O-CG 3.34Å; T68-K72 PolarHBondContact O-N 2.82Å; T68-K72 VanDerWaalsContact O-N 3.11Å
69	H	96.2	Very high	93.6	Very high	63 Å²	63	76 Å²	76	29%	0.292	35%	0.353	S	S	.	.	H	α-helix	trans	-67	-46.3	176.3	-173.9	75.5	0	0	0	111.9	E21 Y33 E65 Y66 I67 E71 K72 L73	E21-H69 IonicContact OE1-CE1 2.63Å; E21-H69 IonicContact OE1-NE2 2.76Å; E21-H69 IonicContact OE2-CD2 2.89Å; E21-H69 IonicContact OE2-CE1 2.86Å; E21-H69 IonicContact OE2-NE2 3.64Å; E21-H69 PolarHBondContact OE2-NE2 3.23Å; Y33-H69 AromaticContact CE1-CD2 3.62Å; Y33-H69 AromaticContact CE2-CD2 3.78Å; Y33-H69 AromaticContact CE2-NE2 3.89Å; Y33-H69 AromaticContact CZ-CD2 3.32Å; Y33-H69 AromaticContact CZ-NE2 3.57Å; Y33-H69 PolarHBondContact OH-CD2 3.26Å; Y33-H69 PolarHBondContact OH-NE2 3.46Å; E65-H69 WeakPolarHBondContact O-CB 3.37Å; E65-H69 PolarHBondContact O-N 3.05Å; Y66-H69 PolarHBondContact O-N 3.42Å; I67-H69 PolarHBondContact O-N 3.23Å; H69-E71 VanDerWaalsContact C-N 3.32Å; H69-E71 PolarHBondContact O-N 3.24Å; H69-K72 WeakPolarHBondContact O-CB 3.28Å; H69-K72 PolarHBondContact O-N 2.98Å; H69-L73 PolarHBondContact O-N 2.86Å
70	A	95.2	Very high	93.2	Very high	9 Å²	9	77.6 Å²	77.6	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-60.5	-41.1	176.7	0	0	0	0	0	112	L30 Y33 I37 Y66 I67 L73 K74	L30-A70 HydrophobicContact CD1-CB 4.25Å; Y33-A70 HydrophobicContact CG-CB 4.46Å; I37-A70 HydrophobicContact CD1-CB 3.95Å; Y66-A70 WeakPolarHBondContact O-CB 3.17Å; Y66-A70 PolarHBondContact O-N 2.78Å; I67-A70 PolarHBondContact O-N 2.99Å; A70-L73 PolarHBondContact O-N 3.23Å; A70-K74 WeakPolarHBondContact O-CB 3.38Å; A70-K74 PolarHBondContact O-N 2.85Å
71	E	95.1	Very high	92.7	Very high	123 Å²	123	69.7 Å²	69.7	58%	0.575	33%	0.332	S	S	*	.	H	α-helix	trans	-62.1	-42.8	174.8	-72.9	173.7	170.5	0	0	112.1	I67 H69 K74 E75	I67-E71 HydrophobicContact CG2-CG 4.48Å; I67-E71 WeakPolarHBondContact O-CG 3.32Å; I67-E71 PolarHBondContact O-N 2.82Å; H69-E71 VanDerWaalsContact C-N 3.32Å; H69-E71 PolarHBondContact O-N 3.24Å; E71-K74 PolarHBondContact O-N 2.96Å; E71-E75 WeakPolarHBondContact O-CB 3.37Å; E71-E75 PolarHBondContact O-N 2.84Å
72	K	95.3	Very high	92	Very high	137 Å²	137	69.5 Å²	69.5	60%	0.596	33%	0.328	S	S	*	.	H	α-helix	trans	-64.1	-40.1	174.6	-74.3	173	-179.2	176.7	0	112.2	T68 H69 K74 E75 K76	T68-K72 WeakPolarHBondContact O-CG 3.34Å; T68-K72 PolarHBondContact O-N 2.82Å; T68-K72 VanDerWaalsContact O-N 3.11Å; H69-K72 WeakPolarHBondContact O-CB 3.28Å; H69-K72 PolarHBondContact O-N 2.98Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K72-E75 PolarHBondContact O-N 3.04Å; K72-K76 WeakPolarHBondContact O-CB 3.33Å; K72-K76 PolarHBondContact O-N 3.27Å
73	L	93	Very high	91.3	Very high	5 Å²	5	70.1 Å²	70.1	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-41.4	176	-177.3	60.8	0	0	0	111	E21 F26 L30 Y33 H69 A70 K76 L77	E21-L73 HydrophobicContact CG-CD1 4.4Å; F26-L73 HydrophobicContact CB-CD1 4.09Å; F26-L73 HydrophobicContact CD1-CD1 3.76Å; F26-L73 HydrophobicContact CE1-CD1 4.4Å; F26-L73 HydrophobicContact CG-CD1 3.91Å; L30-L73 HydrophobicContact CB-CD2 4.18Å; Y33-L73 HydrophobicContact CD2-CD2 3.88Å; Y33-L73 HydrophobicContact CE2-CD2 4.03Å; H69-L73 PolarHBondContact O-N 2.86Å; A70-L73 PolarHBondContact O-N 3.23Å; L73-K76 WeakPolarHBondContact O-CB 3.43Å; L73-K76 PolarHBondContact O-N 2.99Å; L73-L77 WeakPolarHBondContact O-CB 3.5Å; L73-L77 PolarHBondContact O-N 2.64Å
74	K	90.4	Very high	90.4	Very high	101 Å²	101	70.5 Å²	70.5	44%	0.439	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-43.1	175.1	-170.9	170.6	-172.3	159.3	0	112.5	L30 A70 E71 K72 K76 L77 K78	L30-K74 HydrophobicContact CD1-CB 4.26Å; L30-K74 HydrophobicContact CD2-CB 4.02Å; L30-K74 HydrophobicContact CD2-CD 4.4Å; L30-K74 HydrophobicContact CD2-CG 4.07Å; A70-K74 WeakPolarHBondContact O-CB 3.38Å; A70-K74 PolarHBondContact O-N 2.85Å; E71-K74 PolarHBondContact O-N 2.96Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K74-K76 VanDerWaalsContact C-N 3.34Å; K74-L77 PolarHBondContact O-N 3.36Å; K74-K78 WeakPolarHBondContact O-CB 3.32Å; K74-K78 PolarHBondContact O-N 2.7Å
75	E	91.1	Very high	89.5	Confident	102 Å²	102	73.2 Å²	73.2	48%	0.477	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-42.3	173.6	-180	89	-171.4	0	0	111.3	E71 K72 K78 K79	E71-E75 WeakPolarHBondContact O-CB 3.37Å; E71-E75 PolarHBondContact O-N 2.84Å; K72-E75 PolarHBondContact O-N 3.04Å; E75-K78 PolarHBondContact O-N 3.44Å; E75-K79 HydrophobicContact CG-CD 4.39Å; E75-K79 WeakPolarHBondContact O-CG 3.39Å; E75-K79 PolarHBondContact O-N 2.64Å; E75-K79 WeakPolarHBondContact OE1-CE 3.21Å; E75-K79 IonicContact OE1-NZ 3.21Å; E75-K79 PolarHBondContact OE1-NZ 3.49Å
76	K	89.5	Confident	88.9	Confident	82 Å²	82	68.3 Å²	68.3	36%	0.357	33%	0.326	S	S	.	.	H	α-helix	trans	-63	-49.8	176.2	-179.2	-177.5	174.3	-172.5	0	111.3	F26 K72 L73 K74 K78 K79 E80	F26-K76 HydrophobicContact CE2-CD 4.45Å; K72-K76 WeakPolarHBondContact O-CB 3.33Å; K72-K76 PolarHBondContact O-N 3.27Å; L73-K76 WeakPolarHBondContact O-CB 3.43Å; L73-K76 PolarHBondContact O-N 2.99Å; K74-K76 VanDerWaalsContact C-N 3.34Å; K76-K78 VanDerWaalsContact C-N 3.31Å; K76-K78 PolarHBondContact O-N 3.48Å; K76-K79 PolarHBondContact O-N 3.08Å; K76-K79 VanDerWaalsContact O-N 3.17Å; K76-E80 WeakPolarHBondContact CE-OE1 3.43Å; K76-E80 HydrophobicContact CG-CG 4.4Å; K76-E80 IonicContact NZ-OE1 3.69Å; K76-E80 WeakPolarHBondContact O-CG 3.21Å; K76-E80 PolarHBondContact O-N 3.19Å
77	L	87.6	Confident	88.6	Confident	9 Å²	9	70.7 Å²	70.7	5%	0.047	34%	0.339	C	S	.	.	H	α-helix	trans	-53.9	-48.6	174.9	-88.5	170.1	0	0	0	111.4	F26 T27 L30 L73 K74 K79 E80 S81 Y86 W201	F26-L77 HydrophobicContact CB-CD1 4.03Å; F26-L77 HydrophobicContact CB-CD2 3.48Å; F26-L77 VanDerWaalsContact CB-CD2 3.48Å; F26-L77 HydrophobicContact CB-CG 3.77Å; F26-L77 HydrophobicContact CD2-CD2 4.37Å; F26-L77 HydrophobicContact CG-CD2 4.43Å; T27-L77 HydrophobicContact CG2-CD2 4.47Å; L30-L77 HydrophobicContact CB-CD1 4.18Å; L30-L77 HydrophobicContact CD2-CD1 3.82Å; L73-L77 WeakPolarHBondContact O-CB 3.5Å; L73-L77 PolarHBondContact O-N 2.64Å; K74-L77 PolarHBondContact O-N 3.36Å; L77-K79 PolarHBondContact O-N 3.07Å; L77-E80 PolarHBondContact O-N 3.25Å; L77-S81 VanDerWaalsContact O-CB 3.24Å; L77-S81 WeakPolarHBondContact O-CB 3.38Å; L77-S81 PolarHBondContact O-N 3.39Å; L77-S81 PolarHBondContact O-OG 3.33Å; L77-S81 VanDerWaalsContact O-OG 3.04Å; L77-Y86 HydrophobicContact CD2-CD2 3.79Å; L77-Y86 HydrophobicContact CD2-CE1 4.23Å; L77-Y86 HydrophobicContact CD2-CE2 3.36Å; L77-Y86 HydrophobicContact CD2-CG 4.39Å; L77-W201 HydrophobicContact CD2-CH2 4.26Å
78	K	86.3	Confident	88.3	Confident	124 Å²	124	68.2 Å²	68.2	54%	0.539	33%	0.326	S	S	.	.	H	α-helix	trans	-58.3	-46.6	177.5	-178	177.7	172.5	-176.7	0	111.7	K74 E75 K76 S81 E82	K74-K78 WeakPolarHBondContact O-CB 3.32Å; K74-K78 PolarHBondContact O-N 2.7Å; E75-K78 PolarHBondContact O-N 3.44Å; K76-K78 VanDerWaalsContact C-N 3.31Å; K76-K78 PolarHBondContact O-N 3.48Å; K78-S81 PolarHBondContact O-N 2.96Å; K78-E82 WeakPolarHBondContact CE-OE1 3.41Å; K78-E82 HydrophobicContact CG-CG 4.43Å; K78-E82 IonicContact NZ-OE1 3.51Å; K78-E82 WeakPolarHBondContact O-CB 3.33Å; K78-E82 VanDerWaalsContact O-CG 3.27Å; K78-E82 WeakPolarHBondContact O-CG 3.48Å; K78-E82 PolarHBondContact O-N 3.47Å
79	K	85.9	Confident	88.1	Confident	104 Å²	104	70.1 Å²	70.1	45%	0.452	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-44.7	178.5	-75.5	173.3	-178.8	158.7	0	112.8	E75 K76 L77 S81 E82 N83	E75-K79 HydrophobicContact CG-CD 4.39Å; E75-K79 WeakPolarHBondContact O-CG 3.39Å; E75-K79 PolarHBondContact O-N 2.64Å; E75-K79 WeakPolarHBondContact OE1-CE 3.21Å; E75-K79 IonicContact OE1-NZ 3.21Å; E75-K79 PolarHBondContact OE1-NZ 3.49Å; K76-K79 PolarHBondContact O-N 3.08Å; K76-K79 VanDerWaalsContact O-N 3.17Å; L77-K79 PolarHBondContact O-N 3.07Å; K79-S81 VanDerWaalsContact C-N 3.34Å; K79-E82 PolarHBondContact O-N 3.17Å; K79-N83 VanDerWaalsContact O-CB 3.31Å; K79-N83 WeakPolarHBondContact O-CB 3.43Å; K79-N83 PolarHBondContact O-N 2.86Å; K79-N83 PolarHBondContact O-ND2 3.02Å; K79-N83 VanDerWaalsContact O-ND2 3.08Å
80	E	84.9	Confident	88	Confident	56 Å²	56	67.4 Å²	67.4	26%	0.262	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-39.8	178.1	-73.1	-179.9	175.3	0	0	111.4	K76 L77 G84 N85 Y86	K76-E80 WeakPolarHBondContact CE-OE1 3.43Å; K76-E80 HydrophobicContact CG-CG 4.4Å; K76-E80 IonicContact NZ-OE1 3.69Å; K76-E80 WeakPolarHBondContact O-CG 3.21Å; K76-E80 PolarHBondContact O-N 3.19Å; L77-E80 PolarHBondContact O-N 3.25Å; E80-G84 PolarHBondContact O-N 2.57Å; E80-N85 PolarHBondContact O-N 3.46Å; E80-Y86 HydrophobicContact CB-CD2 4.26Å; E80-Y86 PolarHBondContact O-N 3.49Å
81	S	83.6	Confident	88	Confident	5 Å²	5	70.2 Å²	70.2	4%	0.035	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-55.8	171.8	-69.4	0	0	0	0	110.7	L77 K78 K79 N83 G84 S243	L77-S81 VanDerWaalsContact O-CB 3.24Å; L77-S81 WeakPolarHBondContact O-CB 3.38Å; L77-S81 PolarHBondContact O-N 3.39Å; L77-S81 PolarHBondContact O-OG 3.33Å; L77-S81 VanDerWaalsContact O-OG 3.04Å; K78-S81 PolarHBondContact O-N 2.96Å; K79-S81 VanDerWaalsContact C-N 3.34Å; S81-N83 PolarHBondContact O-N 3.27Å; S81-G84 WeakPolarHBondContact O-CA 3.13Å; S81-G84 PolarHBondContact O-N 3.01Å; S81-S243 VanDerWaalsContact C-OG 3.31Å; S81-S243 VanDerWaalsContact O-CB 3.29Å; S81-S243 WeakPolarHBondContact O-CB 3.5Å; S81-S243 PolarHBondContact O-OG 2.85Å
82	E	81.1	Confident	88	Confident	113 Å²	113	64.4 Å²	64.4	53%	0.528	31%	0.308	S	S	.	.	H	α-helix	trans	-55.5	-37	-179.8	-76.6	172.4	172.9	0	0	113	K78 K79 G84	K78-E82 WeakPolarHBondContact CE-OE1 3.41Å; K78-E82 HydrophobicContact CG-CG 4.43Å; K78-E82 IonicContact NZ-OE1 3.51Å; K78-E82 WeakPolarHBondContact O-CB 3.33Å; K78-E82 VanDerWaalsContact O-CG 3.27Å; K78-E82 WeakPolarHBondContact O-CG 3.48Å; K78-E82 PolarHBondContact O-N 3.47Å; K79-E82 PolarHBondContact O-N 3.17Å; E82-G84 PolarHBondContact O-N 2.77Å
83	N	79.8	Confident	88.1	Confident	97 Å²	97	63.8 Å²	63.8	52%	0.519	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-6.3	176.7	-68.7	-26	0	0	0	114.1	K79 S81 N85 Q247	K79-N83 VanDerWaalsContact O-CB 3.31Å; K79-N83 WeakPolarHBondContact O-CB 3.43Å; K79-N83 PolarHBondContact O-N 2.86Å; K79-N83 PolarHBondContact O-ND2 3.02Å; K79-N83 VanDerWaalsContact O-ND2 3.08Å; S81-N83 PolarHBondContact O-N 3.27Å; N83-N85 VanDerWaalsContact C-N 3.34Å; N83-Q247 PolarHBondContact O-NE2 2.96Å
84	G	77	Confident	88.3	Confident	11 Å²	11	68.8 Å²	68.8	11%	0.113	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	25.6	-177.2	0	0	0	0	0	113.5	E80 S81 E82 I244	E80-G84 PolarHBondContact O-N 2.57Å; S81-G84 WeakPolarHBondContact O-CA 3.13Å; S81-G84 PolarHBondContact O-N 3.01Å; E82-G84 PolarHBondContact O-N 2.77Å; G84-I244 VanDerWaalsContact C-CG1 3.49Å; G84-I244 VanDerWaalsContact CA-CG1 3.48Å; G84-I244 WeakPolarHBondContact O-CG1 3.43Å
85	N	78.8	Confident	88.6	Confident	122 Å²	122	65.6 Å²	65.6	65%	0.652	33%	0.326	S	S	*	.			trans	-113	-2.1	-174.3	-68.3	-29.4	0	0	0	113.4	E80 N83 H87	E80-N85 PolarHBondContact O-N 3.46Å; N83-N85 VanDerWaalsContact C-N 3.34Å; N85-H87 PolarHBondContact O-N 2.67Å
86	Y	85.8	Confident	88.9	Confident	5 Å²	5	61.8 Å²	61.8	2%	0.02	31%	0.312	C	S	.	.			trans	-86.5	114.2	-178.6	-169.3	-93.8	0	0	0	112.4	F26 T27 L77 E80 E88 W201 I244	F26-Y86 HydrophobicContact CB-CE2 4Å; F26-Y86 HydrophobicContact CD2-CD2 4.43Å; F26-Y86 AromaticContact CD2-CE2 3.69Å; F26-Y86 HydrophobicContact CD2-CE2 3.69Å; F26-Y86 HydrophobicContact CG-CE2 4.28Å; F26-Y86 PolarHBondContact N-OH 2.95Å; T27-Y86 HydrophobicContact CG2-CE1 3.81Å; T27-Y86 PolarHBondContact N-OH 2.6Å; L77-Y86 HydrophobicContact CD2-CD2 3.79Å; L77-Y86 HydrophobicContact CD2-CE1 4.23Å; L77-Y86 HydrophobicContact CD2-CE2 3.36Å; L77-Y86 HydrophobicContact CD2-CG 4.39Å; E80-Y86 HydrophobicContact CB-CD2 4.26Å; E80-Y86 PolarHBondContact O-N 3.49Å; Y86-E88 HydrophobicContact CE1-CB 3.91Å; Y86-E88 PolarHBondContact OH-OE2 2.98Å; Y86-W201 AromaticContact CD1-CH2 3.7Å; Y86-W201 HydrophobicContact CD1-CH2 3.7Å; Y86-W201 AromaticContact CD1-CZ3 3.47Å; Y86-W201 HydrophobicContact CD1-CZ3 3.47Å; Y86-W201 VanDerWaalsContact CD1-CZ3 3.47Å; Y86-W201 AromaticContact CE1-CH2 3.75Å; Y86-W201 HydrophobicContact CE1-CH2 3.75Å; Y86-W201 AromaticContact CE1-CZ3 3.56Å; Y86-W201 HydrophobicContact CE1-CZ3 3.56Å; Y86-W201 HydrophobicContact CG-CH2 4.44Å; Y86-I244 WeakPolarHBondContact O-CD1 3.5Å
87	H	89.3	Confident	89.2	Confident	103 Å²	103	61.6 Å²	61.6	48%	0.477	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	124.4	171.2	174.2	80.5	0	0	0	109.4	N85 D238 I239	N85-H87 PolarHBondContact O-N 2.67Å; H87-D238 IonicContact CE1-OD1 2.57Å; H87-D238 PolarHBondContact CE1-OD1 3.24Å; H87-D238 IonicContact NE2-OD1 3.12Å; H87-I239 WeakPolarHBondContact CA-O 3.25Å
88	E	91.6	Very high	89.6	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.019	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.7	175	171.4	-176.7	161.2	0	0	109	K25 T27 Y86 R107 I239	K25-E88 HydrophobicContact CB-CG 4.46Å; K25-E88 HydrophobicContact CG-CG 4.23Å; T27-E88 WeakPolarHBondContact CB-OE2 3.25Å; T27-E88 PolarHBondContact N-OE2 3.35Å; T27-E88 VanDerWaalsContact OG1-CD 3.31Å; T27-E88 PolarHBondContact OG1-OE1 3.46Å; T27-E88 PolarHBondContact OG1-OE2 2.89Å; Y86-E88 HydrophobicContact CE1-CB 3.91Å; Y86-E88 PolarHBondContact OH-OE2 2.98Å; E88-R107 IonicContact OE1-NH1 3.57Å; E88-R107 PolarHBondContact OE1-NH1 3.28Å; E88-I239 HydrophobicContact CB-CB 4.15Å; E88-I239 HydrophobicContact CG-CD1 4.18Å; E88-I239 PolarHBondContact N-O 3.23Å; E88-I239 PolarHBondContact O-N 2.86Å
89	Q	92.6	Very high	90	Very high	98 Å²	98	59.8 Å²	59.8	46%	0.458	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.6	176.7	-172.6	172	85	0	0	110.7	V91 T236 I237 D238	Q89-V91 HydrophobicContact CG-CG2 4.45Å; Q89-T236 VanDerWaalsContact CD-CG2 3.49Å; Q89-T236 HydrophobicContact CG-CG2 3.38Å; Q89-I237 WeakPolarHBondContact CA-O 3.33Å; Q89-D238 PolarHBondContact NE2-OD1 3.46Å
90	V	93.3	Very high	90.5	Very high	6 Å²	6	55 Å²	55	4%	0.036	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115.3	173.4	-178	0	0	0	0	108.6	I92 Y99 I237 I239	V90-I92 HydrophobicContact CG1-CG1 4.47Å; V90-Y99 HydrophobicContact CG1-CE1 3.85Å; V90-I237 HydrophobicContact CB-CB 4.22Å; V90-I237 PolarHBondContact N-O 3.4Å; V90-I237 PolarHBondContact O-N 3.17Å; V90-I239 HydrophobicContact CG2-CD1 4.15Å
91	V	95.3	Very high	91.1	Very high	68 Å²	68	52.3 Å²	52.3	41%	0.412	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119	174	-176.9	0	0	0	0	108.5	Q89 E93	Q89-V91 HydrophobicContact CG-CG2 4.45Å; V91-E93 WeakPolarHBondContact CG1-OE1 3.21Å
92	I	96.6	Very high	91.6	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.4	171.6	-59.7	-178.4	0	0	0	107.1	V90 A96 Y99 Y211 C232 A234 T235 I237	V90-I92 HydrophobicContact CG1-CG1 4.47Å; I92-A96 HydrophobicContact CG2-CB 4.22Å; I92-Y99 HydrophobicContact CD1-CD1 3.71Å; I92-Y99 HydrophobicContact CD1-CD2 4.44Å; I92-Y99 HydrophobicContact CD1-CE1 4.4Å; I92-Y99 HydrophobicContact CD1-CG 3.74Å; I92-Y99 HydrophobicContact CG1-CD1 3.72Å; I92-Y99 HydrophobicContact CG1-CD2 4.27Å; I92-Y99 HydrophobicContact CG1-CE1 3.9Å; I92-Y99 HydrophobicContact CG1-CE2 4.42Å; I92-Y99 HydrophobicContact CG1-CG 3.91Å; I92-Y99 HydrophobicContact CG2-CD2 4.03Å; I92-Y99 HydrophobicContact CG2-CE2 4.33Å; I92-Y99 HydrophobicContact CG2-CG 4.35Å; I92-Y211 HydrophobicContact CD1-CD2 3.69Å; I92-Y211 HydrophobicContact CD1-CE2 3.59Å; I92-C232 HydrophobicContact CG2-CB 3.44Å; I92-C232 VanDerWaalsContact CG2-CB 3.44Å; I92-A234 VanDerWaalsContact O-CA 3.23Å; I92-A234 WeakPolarHBondContact O-CA 3.32Å; I92-T235 HydrophobicContact CB-CG2 4.16Å; I92-T235 HydrophobicContact CD1-CG2 4.06Å; I92-T235 HydrophobicContact CG1-CG2 4.41Å; I92-T235 PolarHBondContact N-O 3Å; I92-T235 PolarHBondContact O-N 2.9Å; I92-I237 HydrophobicContact CD1-CD1 3.62Å; I92-I237 HydrophobicContact CD1-CG1 4.3Å; I92-I237 HydrophobicContact CG1-CD1 4.4Å
93	E	97.2	Very high	92.1	Very high	124 Å²	124	54.8 Å²	54.8	58%	0.579	29%	0.293	S	S	*	.			trans	-73.8	155.5	177.7	-62.7	-60.5	156.5	0	0	111.9	V91 G95 A96	V91-E93 WeakPolarHBondContact CG1-OE1 3.21Å; E93-G95 PolarHBondContact O-N 3.18Å; E93-A96 HydrophobicContact CB-CB 4.35Å; E93-A96 WeakPolarHBondContact O-CB 3.29Å; E93-A96 PolarHBondContact O-N 3.32Å
94	E	97.4	Very high	92.8	Very high	110 Å²	110	50.4 Å²	50.4	51%	0.514	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	124.1	174.4	178	63.5	-170.1	0	0	110.9	A96 R213 S233 A234	E94-A96 VanDerWaalsContact C-N 3.27Å; E94-A96 PolarHBondContact O-N 2.83Å; E94-R213 IonicContact OE1-CZ 3.84Å; E94-R213 IonicContact OE1-NH1 3.07Å; E94-R213 PolarHBondContact OE1-NH1 2.89Å; E94-R213 IonicContact OE1-NH2 3.89Å; E94-R213 PolarHBondContact OE1-NH2 3.05Å; E94-R213 IonicContact OE2-CZ 3.48Å; E94-R213 IonicContact OE2-NH2 2.77Å; E94-R213 PolarHBondContact OE2-NH2 3.45Å; E94-R213 VanDerWaalsContact OE2-NH2 3.07Å; E94-S233 WeakPolarHBondContact OE2-CA 3.44Å; E94-A234 HydrophobicContact CB-CB 4.09Å; E94-A234 PolarHBondContact OE2-N 3.32Å; E94-A234 VanDerWaalsContact OE2-N 3.08Å
95	G	96.3	Very high	93.7	Very high	33 Å²	33	49.9 Å²	49.9	34%	0.34	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	0.6	-179.4	0	0	0	0	0	114.9	E93 C232	E93-G95 PolarHBondContact O-N 3.18Å; G95-C232 WeakPolarHBondContact CA-O 3.46Å; G95-C232 PolarHBondContact N-O 2.72Å
96	A	97.1	Very high	94.4	Very high	23 Å²	23	44.2 Å²	44.2	19%	0.19	24%	0.235	C	C	.	.			trans	-62.9	149.6	177.3	0	0	0	0	0	112.1	I92 E93 E94 Y99 T231 C232	I92-A96 HydrophobicContact CG2-CB 4.22Å; E93-A96 HydrophobicContact CB-CB 4.35Å; E93-A96 WeakPolarHBondContact O-CB 3.29Å; E93-A96 PolarHBondContact O-N 3.32Å; E94-A96 VanDerWaalsContact C-N 3.27Å; E94-A96 PolarHBondContact O-N 2.83Å; A96-Y99 HydrophobicContact CB-CD2 4.22Å; A96-Y99 HydrophobicContact CB-CE2 3.95Å; A96-T231 CarbonylContact O-C 3.48Å; A96-T231 WeakPolarHBondContact O-CA 3.3Å; A96-C232 WeakPolarHBondContact O-CB 3.48Å; A96-C232 PolarHBondContact O-N 3.24Å; A96-C232 PolarHBondContact O-SG 2.99Å; A96-C232 VanDerWaalsContact O-SG 3.41Å
97	T	96.3	Very high	94.7	Very high	78 Å²	78	45.3 Å²	45.3	48%	0.479	24%	0.239	S	C	.	.			trans	-119.7	172.9	174.9	60.3	0	0	0	0	110.1	Y99 T231	T97-Y99 WeakPolarHBondContact O-CD2 3.26Å; T97-T231 HydrophobicContact CG2-CG2 4.06Å
98	G	94.5	Very high	94.9	Very high	31 Å²	31	40.6 Å²	40.6	32%	0.32	22%	0.217	S	C	.	.			trans	78.7	24.9	178.4	0	0	0	0	0	114.6	K103 D228	G98-K103 WeakPolarHBondContact O-CG 3.37Å; G98-D228 WeakPolarHBondContact CA-O 3.34Å; G98-D228 PolarHBondContact N-O 3.27Å
99	Y	95.8	Very high	95.1	Very high	64 Å²	64	40.4 Å²	40.4	25%	0.251	22%	0.216	S	C	.	.			trans	-118.1	34.1	175.3	-67.3	-85.4	0	0	0	111.6	V90 I92 A96 T97 V104 Y211 I212	V90-Y99 HydrophobicContact CG1-CE1 3.85Å; I92-Y99 HydrophobicContact CD1-CD1 3.71Å; I92-Y99 HydrophobicContact CD1-CD2 4.44Å; I92-Y99 HydrophobicContact CD1-CE1 4.4Å; I92-Y99 HydrophobicContact CD1-CG 3.74Å; I92-Y99 HydrophobicContact CG1-CD1 3.72Å; I92-Y99 HydrophobicContact CG1-CD2 4.27Å; I92-Y99 HydrophobicContact CG1-CE1 3.9Å; I92-Y99 HydrophobicContact CG1-CE2 4.42Å; I92-Y99 HydrophobicContact CG1-CG 3.91Å; I92-Y99 HydrophobicContact CG2-CD2 4.03Å; I92-Y99 HydrophobicContact CG2-CE2 4.33Å; I92-Y99 HydrophobicContact CG2-CG 4.35Å; A96-Y99 HydrophobicContact CB-CD2 4.22Å; A96-Y99 HydrophobicContact CB-CE2 3.95Å; T97-Y99 WeakPolarHBondContact O-CD2 3.26Å; Y99-V104 HydrophobicContact CD1-CG2 4.32Å; Y99-Y211 VanDerWaalsContact O-CE2 3.24Å; Y99-Y211 WeakPolarHBondContact O-CE2 3.33Å; Y99-Y211 PolarHBondContact O-OH 3.02Å; Y99-I212 WeakPolarHBondContact O-CD1 3.39Å
100	G	95.8	Very high	95	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.031	21%	0.209	C	C	.	.			trans	-54.8	157.1	171.3	0	0	0	0	0	111.8	K102 K103 V104 D228	G100-K102 PolarHBondContact O-N 2.85Å; G100-K102 VanDerWaalsContact O-N 3.17Å; G100-K103 WeakPolarHBondContact O-CA 3.48Å; G100-K103 WeakPolarHBondContact O-CB 3.07Å; G100-K103 PolarHBondContact O-N 3.34Å; G100-V104 PolarHBondContact O-N 2.85Å; G100-D228 WeakPolarHBondContact CA-OD1 3.38Å; G100-D228 PolarHBondContact N-OD1 3.24Å
101	Y	97.2	Very high	94.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.3	-34.3	-175.5	-60.5	-30.4	0	0	0	113.3	K103 V104 F105 N132 H135 F136 L209 Y211 I212 Y227	Y101-K103 VanDerWaalsContact C-N 3.29Å; Y101-K103 PolarHBondContact O-N 2.89Å; Y101-V104 PolarHBondContact O-N 3.48Å; Y101-F105 HydrophobicContact CD1-CD2 4.21Å; Y101-F105 AromaticContact CD1-CE2 3.63Å; Y101-F105 HydrophobicContact CD1-CE2 3.63Å; Y101-F105 HydrophobicContact CE1-CE2 4.46Å; Y101-F105 HydrophobicContact CG-CD2 4.31Å; Y101-F105 HydrophobicContact CG-CE2 4.14Å; Y101-F105 WeakPolarHBondContact O-CB 3.44Å; Y101-F105 VanDerWaalsContact O-CD2 3.27Å; Y101-F105 WeakPolarHBondContact O-CD2 3.35Å; Y101-F105 PolarHBondContact O-N 3.04Å; Y101-N132 HydrophobicContact CE2-CB 4.35Å; Y101-N132 WeakPolarHBondContact CE2-O 3.48Å; Y101-N132 WeakPolarHBondContact OH-CB 3.4Å; Y101-N132 VanDerWaalsContact OH-CG 3.23Å; Y101-H135 HydrophobicContact CD2-CB 4.13Å; Y101-H135 AromaticContact CD2-CE1 3.96Å; Y101-H135 AromaticContact CD2-CG 3.93Å; Y101-H135 AromaticContact CD2-ND1 3.02Å; Y101-H135 WeakPolarHBondContact CD2-ND1 3.47Å; Y101-H135 HydrophobicContact CE2-CB 4.09Å; Y101-H135 AromaticContact CE2-ND1 3.5Å; Y101-H135 AromaticContact CG-ND1 3.9Å; Y101-F136 HydrophobicContact CD2-CB 3.86Å; Y101-F136 HydrophobicContact CE2-CB 4.36Å; Y101-F136 HydrophobicContact CG-CB 4.37Å; Y101-L209 HydrophobicContact CD1-CD2 4.22Å; Y101-L209 HydrophobicContact CE1-CD2 3.93Å; Y101-L209 PolarHBondContact OH-O 2.68Å; Y101-Y211 HydrophobicContact CD1-CE1 4.15Å; Y101-Y211 WeakPolarHBondContact CD1-OH 3.5Å; Y101-Y211 AromaticContact CE1-CE1 3.77Å; Y101-Y211 HydrophobicContact CE1-CE1 3.77Å; Y101-I212 HydrophobicContact CD1-CD1 3.72Å; Y101-I212 HydrophobicContact CE1-CD1 3.46Å; Y101-I212 VanDerWaalsContact CE1-CD1 3.46Å; Y101-I212 HydrophobicContact CE1-CG1 4.05Å; Y101-I212 HydrophobicContact CG-CD1 4.43Å; Y101-Y227 HydrophobicContact CE2-CD1 4.03Å; Y101-Y227 AromaticContact CE2-CE1 3.98Å; Y101-Y227 HydrophobicContact CE2-CE1 3.98Å
102	K	94.8	Very high	94.4	Very high	119 Å²	119	40.1 Å²	40.1	52%	0.517	22%	0.221	S	C	.	.	H	α-helix	trans	-61	-41.7	173.4	-173.8	170.3	-176.4	169.3	0	111.6	G100 G106 V139	G100-K102 PolarHBondContact O-N 2.85Å; G100-K102 VanDerWaalsContact O-N 3.17Å; K102-G106 WeakPolarHBondContact O-CA 3.16Å; K102-G106 PolarHBondContact O-N 2.86Å; K102-V139 HydrophobicContact CB-CG1 4.2Å; K102-V139 HydrophobicContact CB-CG2 3.95Å
103	K	91.4	Very high	94.2	Very high	51 Å²	51	44.1 Å²	44.1	22%	0.222	25%	0.245	C	C	.	.	H	α-helix	trans	-70.5	-37.5	-177.6	-175.5	57.8	-173.2	160.9	0	112.8	E28 G98 G100 Y101	E28-K103 WeakPolarHBondContact OE1-CE 3.46Å; E28-K103 IonicContact OE1-NZ 3.54Å; E28-K103 PolarHBondContact OE1-NZ 3.47Å; G98-K103 WeakPolarHBondContact O-CG 3.37Å; G100-K103 WeakPolarHBondContact O-CA 3.48Å; G100-K103 WeakPolarHBondContact O-CB 3.07Å; G100-K103 PolarHBondContact O-N 3.34Å; Y101-K103 VanDerWaalsContact C-N 3.29Å; Y101-K103 PolarHBondContact O-N 2.89Å
104	V	94.4	Very high	94.2	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.024	22%	0.219	C	C	.	.	H	α-helix	trans	-79.4	-54.4	179.1	175.5	0	0	0	0	111	Y99 G100 Y101 R107 Y211 I237	Y99-V104 HydrophobicContact CD1-CG2 4.32Å; G100-V104 PolarHBondContact O-N 2.85Å; Y101-V104 PolarHBondContact O-N 3.48Å; V104-R107 WeakPolarHBondContact O-CG 3.3Å; V104-R107 PolarHBondContact O-NE 2.79Å; V104-R107 VanDerWaalsContact O-NE 3.08Å; V104-Y211 WeakPolarHBondContact CG2-OH 3.41Å; V104-I237 HydrophobicContact CG1-CD1 3.68Å; V104-I237 HydrophobicContact CG2-CD1 4.17Å
105	F	96.4	Very high	94.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-95.9	-22	-168.9	-53.2	-66.7	0	0	0	114.6	Y101 R107 F108 F136 I195 V203 I205 L209	Y101-F105 HydrophobicContact CD1-CD2 4.21Å; Y101-F105 AromaticContact CD1-CE2 3.63Å; Y101-F105 HydrophobicContact CD1-CE2 3.63Å; Y101-F105 HydrophobicContact CE1-CE2 4.46Å; Y101-F105 HydrophobicContact CG-CD2 4.31Å; Y101-F105 HydrophobicContact CG-CE2 4.14Å; Y101-F105 WeakPolarHBondContact O-CB 3.44Å; Y101-F105 VanDerWaalsContact O-CD2 3.27Å; Y101-F105 WeakPolarHBondContact O-CD2 3.35Å; Y101-F105 PolarHBondContact O-N 3.04Å; F105-R107 PolarHBondContact O-N 3.21Å; F105-R107 VanDerWaalsContact O-N 3.16Å; F105-F108 WeakPolarHBondContact O-CD2 3.26Å; F105-F108 PolarHBondContact O-N 3.06Å; F105-F136 HydrophobicContact CB-CE2 3.88Å; F105-F136 HydrophobicContact CD1-CE2 4.28Å; F105-F136 AromaticContact CD2-CD2 3.58Å; F105-F136 HydrophobicContact CD2-CD2 3.58Å; F105-F136 AromaticContact CD2-CE2 3.55Å; F105-F136 HydrophobicContact CD2-CE2 3.55Å; F105-F136 AromaticContact CE2-CD2 3.99Å; F105-F136 HydrophobicContact CE2-CD2 3.99Å; F105-F136 HydrophobicContact CE2-CE2 4.13Å; F105-F136 HydrophobicContact CG-CD2 4.17Å; F105-F136 AromaticContact CG-CE2 3.64Å; F105-F136 HydrophobicContact CG-CE2 3.64Å; F105-I195 HydrophobicContact CD1-CD1 4.25Å; F105-I195 HydrophobicContact CE1-CD1 3.7Å; F105-I195 HydrophobicContact CE2-CD1 4.36Å; F105-I195 HydrophobicContact CZ-CD1 3.77Å; F105-V203 HydrophobicContact CD1-CG1 4.37Å; F105-V203 HydrophobicContact CE1-CB 4.4Å; F105-V203 HydrophobicContact CE1-CG1 3.85Å; F105-I205 HydrophobicContact CE1-CD1 3.77Å; F105-I205 HydrophobicContact CZ-CD1 3.52Å; F105-I205 HydrophobicContact CZ-CG1 4.49Å; F105-L209 HydrophobicContact CE2-CD2 3.79Å; F105-L209 HydrophobicContact CZ-CD2 3.98Å
106	G	93.7	Very high	94.3	Very high	3 Å²	3	36.4 Å²	36.4	3%	0.031	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-55	-37.7	-177.2	0	0	0	0	0	112.6	K102 F108 L109 E110	K102-G106 WeakPolarHBondContact O-CA 3.16Å; K102-G106 PolarHBondContact O-N 2.86Å; G106-F108 PolarHBondContact O-N 2.7Å; G106-L109 WeakPolarHBondContact O-CA 3.38Å; G106-L109 PolarHBondContact O-N 2.86Å; G106-E110 WeakPolarHBondContact O-CG 3.2Å; G106-E110 PolarHBondContact O-N 3.43Å
107	R	91.6	Very high	94.4	Very high	29 Å²	29	35.3 Å²	35.3	11%	0.109	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-53.9	-24.1	177.5	70.9	-178.9	81.4	-176.3	-5.4	115	T27 E28 T31 E88 V104 F105	T27-R107 VanDerWaalsContact OG1-CD 3.28Å; T27-R107 WeakPolarHBondContact OG1-CD 3.09Å; T27-R107 PolarHBondContact OG1-NH1 2.79Å; T27-R107 VanDerWaalsContact OG1-NH1 3.17Å; E28-R107 IonicContact OE2-CZ 3.01Å; E28-R107 IonicContact OE2-NH1 3.92Å; E28-R107 IonicContact OE2-NH2 3.46Å; E28-R107 PolarHBondContact OE2-NH2 2.84Å; T31-R107 VanDerWaalsContact OG1-CB 3.27Å; T31-R107 WeakPolarHBondContact OG1-CB 3.46Å; E88-R107 IonicContact OE1-NH1 3.57Å; E88-R107 PolarHBondContact OE1-NH1 3.28Å; V104-R107 WeakPolarHBondContact O-CG 3.3Å; V104-R107 PolarHBondContact O-NE 2.79Å; V104-R107 VanDerWaalsContact O-NE 3.08Å; F105-R107 PolarHBondContact O-N 3.21Å; F105-R107 VanDerWaalsContact O-N 3.16Å
108	F	94.8	Very high	94.5	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-91.8	-6.1	178.3	-51.1	-68.4	0	0	0	113.1	T27 F105 G106 V114 F197 W201 V203 I239	T27-F108 HydrophobicContact CG2-CE1 4.19Å; F105-F108 WeakPolarHBondContact O-CD2 3.26Å; F105-F108 PolarHBondContact O-N 3.06Å; G106-F108 PolarHBondContact O-N 2.7Å; F108-V114 WeakPolarHBondContact O-CG2 3.49Å; F108-F197 HydrophobicContact CB-CD1 4.27Å; F108-F197 HydrophobicContact CB-CD2 3.97Å; F108-F197 HydrophobicContact CB-CE1 4.14Å; F108-F197 HydrophobicContact CB-CE2 3.84Å; F108-F197 HydrophobicContact CB-CG 4.2Å; F108-F197 HydrophobicContact CB-CZ 3.93Å; F108-F197 AromaticContact CD2-CE2 3.8Å; F108-F197 HydrophobicContact CD2-CE2 3.8Å; F108-F197 HydrophobicContact CD2-CZ 4.03Å; F108-F197 HydrophobicContact CG-CD2 4.26Å; F108-F197 AromaticContact CG-CE2 3.91Å; F108-F197 HydrophobicContact CG-CE2 3.91Å; F108-F197 HydrophobicContact CG-CZ 4.29Å; F108-W201 HydrophobicContact CD1-CB 3.83Å; F108-W201 HydrophobicContact CD1-CD2 4.02Å; F108-W201 AromaticContact CD1-CG 3.68Å; F108-W201 HydrophobicContact CD1-CG 3.68Å; F108-W201 HydrophobicContact CE1-CB 4.34Å; F108-W201 HydrophobicContact CE1-CD2 4.12Å; F108-W201 HydrophobicContact CE1-CE3 4.17Å; F108-W201 HydrophobicContact CE1-CG 4.19Å; F108-W201 HydrophobicContact CG-CB 4.44Å; F108-V203 HydrophobicContact CD2-CG2 3.95Å; F108-V203 HydrophobicContact CE1-CG2 4.42Å; F108-V203 HydrophobicContact CE2-CG2 3.42Å; F108-V203 VanDerWaalsContact CE2-CG2 3.42Å; F108-V203 HydrophobicContact CZ-CG2 3.69Å; F108-I239 HydrophobicContact CE1-CG2 3.64Å; F108-I239 HydrophobicContact CZ-CB 4.4Å; F108-I239 HydrophobicContact CZ-CD1 3.89Å; F108-I239 HydrophobicContact CZ-CG1 3.94Å; F108-I239 HydrophobicContact CZ-CG2 3.55Å
109	L	95.7	Very high	94.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-18.4	-174.1	-62	165.1	0	0	0	112.5	G106 D111 G112 V114 V139 I140 S143 S145 V147 F197	G106-L109 WeakPolarHBondContact O-CA 3.38Å; G106-L109 PolarHBondContact O-N 2.86Å; L109-D111 VanDerWaalsContact C-N 3.32Å; L109-D111 PolarHBondContact O-N 3.4Å; L109-G112 PolarHBondContact O-N 3.22Å; L109-V114 HydrophobicContact CD2-CB 4.03Å; L109-V114 HydrophobicContact CD2-CG1 3.99Å; L109-V114 HydrophobicContact CD2-CG2 4.23Å; L109-V139 HydrophobicContact CD1-CG1 4.48Å; L109-I140 HydrophobicContact CD1-CG1 4.05Å; L109-S143 VanDerWaalsContact CB-CB 3.5Å; L109-S145 VanDerWaalsContact O-CB 3.26Å; L109-S145 WeakPolarHBondContact O-CB 3.42Å; L109-S145 PolarHBondContact O-N 3.45Å; L109-S145 VanDerWaalsContact O-N 3.07Å; L109-S145 PolarHBondContact O-OG 2.96Å; L109-V147 HydrophobicContact CD2-CG2 4.09Å; L109-F197 HydrophobicContact CD2-CD1 3.99Å; L109-F197 HydrophobicContact CD2-CE1 3.86Å; L109-F197 HydrophobicContact CG-CE1 4.08Å
110	E	89.7	Confident	94.8	Very high	66 Å²	66	32.9 Å²	32.9	31%	0.308	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.2	-176.7	-69.4	-52.3	151.6	0	0	114.1	G106 G112 V144	G106-E110 WeakPolarHBondContact O-CG 3.2Å; G106-E110 PolarHBondContact O-N 3.43Å; E110-G112 PolarHBondContact O-N 3.41Å; E110-V144 WeakPolarHBondContact O-CB 3.47Å; E110-V144 WeakPolarHBondContact OE2-CG2 3.21Å
111	D	85.8	Confident	94.9	Very high	68 Å²	68	33 Å²	33	36%	0.364	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-9.3	179.6	78.1	-1.3	0	0	0	113.7	L109 T113	L109-D111 VanDerWaalsContact C-N 3.32Å; L109-D111 PolarHBondContact O-N 3.4Å; D111-T113 VanDerWaalsContact C-N 3.29Å; D111-T113 HydrophobicContact CB-CG2 4.47Å; D111-T113 PolarHBondContact O-N 3.4Å; D111-T113 WeakPolarHBondContact OD1-CB 3.27Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.39Å; D111-T113 PolarHBondContact OD1-N 2.82Å; D111-T113 PolarHBondContact OD1-OG1 2.99Å; D111-T113 PolarHBondContact OD2-OG1 3.08Å; D111-T113 VanDerWaalsContact OD2-OG1 3.06Å
112	G	90.5	Very high	94.9	Very high	33 Å²	33	33.1 Å²	33.1	34%	0.34	17%	0.171	S	C	.	.	S	Bend	trans	78.5	5.3	176.7	0	0	0	0	0	115.2	L109 E110 S145	L109-G112 PolarHBondContact O-N 3.22Å; E110-G112 PolarHBondContact O-N 3.41Å; G112-S145 VanDerWaalsContact CA-OG 3.3Å; G112-S145 WeakPolarHBondContact CA-OG 3.46Å; G112-S145 PolarHBondContact N-OG 3.45Å
113	T	91.1	Very high	95	Very high	85 Å²	85	32.1 Å²	32.1	52%	0.521	17%	0.165	S	C	.	.			trans	-91.9	-15.5	-170.9	67.6	0	0	0	0	114.2	D111 G115 S145	D111-T113 VanDerWaalsContact C-N 3.29Å; D111-T113 HydrophobicContact CB-CG2 4.47Å; D111-T113 PolarHBondContact O-N 3.4Å; D111-T113 WeakPolarHBondContact OD1-CB 3.27Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.39Å; D111-T113 PolarHBondContact OD1-N 2.82Å; D111-T113 PolarHBondContact OD1-OG1 2.99Å; D111-T113 PolarHBondContact OD2-OG1 3.08Å; D111-T113 VanDerWaalsContact OD2-OG1 3.06Å; T113-G115 PolarHBondContact O-N 3.07Å; T113-S145 PolarHBondContact N-OG 3.03Å
114	V	97.1	Very high	95.3	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	16%	0.155	C	C	.	.			trans	-79	124.3	-173.6	180	0	0	0	0	111	F108 L109 V117 S145 V147 F197 D198	F108-V114 WeakPolarHBondContact O-CG2 3.49Å; L109-V114 HydrophobicContact CD2-CB 4.03Å; L109-V114 HydrophobicContact CD2-CG1 3.99Å; L109-V114 HydrophobicContact CD2-CG2 4.23Å; V114-V117 HydrophobicContact CG1-CG2 3.86Å; V114-S145 PolarHBondContact N-OG 2.84Å; V114-V147 HydrophobicContact CB-CG2 4.32Å; V114-V147 HydrophobicContact CG1-CG2 3.9Å; V114-F197 HydrophobicContact CG1-CB 4.32Å; V114-F197 HydrophobicContact CG1-CD1 4.06Å; V114-F197 HydrophobicContact CG2-CB 4.16Å; V114-F197 HydrophobicContact CG2-CD1 4.33Å; V114-D198 VanDerWaalsContact CA-OD1 3.28Å; V114-D198 WeakPolarHBondContact CA-OD1 3.29Å; V114-D198 WeakPolarHBondContact CG1-OD1 3.14Å
115	G	97.7	Very high	95.4	Very high	20 Å²	20	33 Å²	33	21%	0.206	17%	0.166	C	C	.	.			trans	-106.5	-26.2	174	0	0	0	0	0	113.2	T113 K148 N149 D198	T113-G115 PolarHBondContact O-N 3.07Å; G115-K148 PolarHBondContact O-N 3.47Å; G115-N149 PolarHBondContact O-N 3.03Å; G115-D198 VanDerWaalsContact CA-OD2 3.32Å; G115-D198 WeakPolarHBondContact CA-OD2 3.46Å; G115-D198 PolarHBondContact N-OD1 3.11Å; G115-D198 PolarHBondContact N-OD2 2.95Å; G115-D198 VanDerWaalsContact N-OD2 3.08Å
116	K	98.6	Very high	95.4	Very high	82 Å²	82	35.3 Å²	35.3	36%	0.357	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	138.5	-174.5	-55.6	-175.3	177.6	-177.9	0	111.5	W118 N149 Y151 D198	K116-W118 HydrophobicContact CB-CH2 3.59Å; K116-W118 HydrophobicContact CB-CZ2 4.06Å; K116-W118 HydrophobicContact CB-CZ3 3.88Å; K116-W118 HydrophobicContact CD-CH2 4.03Å; K116-W118 HydrophobicContact CD-CZ2 4.08Å; K116-W118 HydrophobicContact CG-CH2 4.43Å; K116-N149 WeakPolarHBondContact CA-O 3.24Å; K116-N149 HydrophobicContact CB-CB 4.49Å; K116-N149 HydrophobicContact CG-CB 4.09Å; K116-Y151 HydrophobicContact CB-CE2 4.33Å; K116-Y151 HydrophobicContact CD-CE2 4.22Å; K116-Y151 HydrophobicContact CG-CE2 4.5Å; K116-D198 HydrophobicContact CB-CB 4.11Å; K116-D198 PolarHBondContact N-OD1 2.97Å; K116-D198 PolarHBondContact N-OD2 3.47Å; K116-D198 PolarHBondContact O-N 2.97Å; K116-D198 VanDerWaalsContact O-N 3.08Å
117	V	98.8	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.8	175.8	-176.2	0	0	0	0	109.2	V114 V119 F136 I140 V147 N149 I150 Y151 I195 R196 F197	V114-V117 HydrophobicContact CG1-CG2 3.86Å; V117-V119 HydrophobicContact CG1-CG2 4.23Å; V117-F136 HydrophobicContact CG1-CE1 4.36Å; V117-F136 HydrophobicContact CG1-CZ 4.27Å; V117-I140 HydrophobicContact CB-CD1 4.28Å; V117-I140 HydrophobicContact CG1-CD1 4.13Å; V117-I140 HydrophobicContact CG2-CD1 4.16Å; V117-V147 HydrophobicContact CG2-CG1 4.05Å; V117-V147 HydrophobicContact CG2-CG2 4.25Å; V117-N149 PolarHBondContact N-O 3.16Å; V117-I150 WeakPolarHBondContact O-CA 3.23Å; V117-Y151 PolarHBondContact O-N 2.92Å; V117-I195 HydrophobicContact CG1-CG2 3.89Å; V117-R196 CarbonylContact C-O 3.21Å; V117-R196 WeakPolarHBondContact CA-O 3.25Å; V117-F197 HydrophobicContact CG1-CD1 4.41Å; V117-F197 HydrophobicContact CG1-CE1 4.27Å; V117-F197 HydrophobicContact CG2-CD1 3.91Å; V117-F197 HydrophobicContact CG2-CE1 4.18Å
118	W	98.6	Very high	95.4	Very high	66 Å²	66	39.6 Å²	39.6	25%	0.25	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.1	169.7	-59.3	-99.9	0	0	0	108.9	K116 Y151 I195 R196 D198	K116-W118 HydrophobicContact CB-CH2 3.59Å; K116-W118 HydrophobicContact CB-CZ2 4.06Å; K116-W118 HydrophobicContact CB-CZ3 3.88Å; K116-W118 HydrophobicContact CD-CH2 4.03Å; K116-W118 HydrophobicContact CD-CZ2 4.08Å; K116-W118 HydrophobicContact CG-CH2 4.43Å; W118-Y151 CarbonylContact C-O 3.41Å; W118-Y151 WeakPolarHBondContact CA-O 3.35Å; W118-Y151 AromaticContact CD1-CD2 3.56Å; W118-Y151 AromaticContact CD1-CG 3.8Å; W118-Y151 HydrophobicContact CD2-CD2 4.2Å; W118-Y151 AromaticContact CE2-CD2 3.72Å; W118-Y151 HydrophobicContact CG-CD2 4.1Å; W118-Y151 HydrophobicContact CZ2-CD2 4.36Å; W118-Y151 HydrophobicContact CZ2-CE2 4.19Å; W118-Y151 AromaticContact NE1-CD2 3.27Å; W118-Y151 VanDerWaalsContact NE1-CD2 3.27Å; W118-Y151 AromaticContact NE1-CE2 3.8Å; W118-Y151 AromaticContact NE1-CG 3.79Å; W118-I195 CarbonylContact O-C 3.58Å; W118-I195 WeakPolarHBondContact O-CA 3.46Å; W118-R196 HydrophobicContact CB-CB 4.26Å; W118-R196 HydrophobicContact CE3-CB 4.17Å; W118-R196 PolarHBondContact N-O 3.21Å; W118-R196 PolarHBondContact O-N 2.92Å; W118-D198 HydrophobicContact CH2-CB 3.93Å; W118-D198 HydrophobicContact CZ3-CB 3.79Å
119	V	98.7	Very high	95.5	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121	175.4	-179.6	0	0	0	0	107.7	V117 F133 F136 Y151 L152 T153 I195	V117-V119 HydrophobicContact CG1-CG2 4.23Å; V119-F133 HydrophobicContact CB-CE2 4.14Å; V119-F133 HydrophobicContact CG1-CD2 4.42Å; V119-F133 HydrophobicContact CG1-CE2 4.17Å; V119-F133 HydrophobicContact CG2-CE2 4.03Å; V119-F136 HydrophobicContact CG2-CD1 4.28Å; V119-F136 HydrophobicContact CG2-CE1 3.56Å; V119-F136 HydrophobicContact CG2-CZ 4.38Å; V119-Y151 PolarHBondContact N-O 3.15Å; V119-L152 HydrophobicContact CB-CD1 4.09Å; V119-L152 HydrophobicContact CG1-CD1 3.93Å; V119-L152 CarbonylContact O-C 3.56Å; V119-L152 WeakPolarHBondContact O-CA 3.47Å; V119-T153 PolarHBondContact O-N 3.31Å; V119-I195 HydrophobicContact CG1-CG1 4.26Å; V119-I195 HydrophobicContact CG2-CG1 4.23Å; V119-I195 HydrophobicContact CG2-CG2 4.31Å
120	E	98.5	Very high	95.6	Very high	55 Å²	55	40.5 Å²	40.5	26%	0.257	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.4	170.9	-62.2	-171.2	179.8	0	0	107.3	T153 L190 R193 E194	E120-T153 WeakPolarHBondContact CA-O 3.19Å; E120-L190 HydrophobicContact CB-CD1 4.16Å; E120-L190 HydrophobicContact CB-CD2 4.32Å; E120-R193 CarbonylContact O-C 3.54Å; E120-R193 VanDerWaalsContact O-CA 3.24Å; E120-R193 WeakPolarHBondContact O-CA 3.37Å; E120-E194 PolarHBondContact N-O 2.81Å; E120-E194 PolarHBondContact O-N 3.45Å
121	D	98.3	Very high	95.9	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.214	C	C	.	.			trans	-154.5	113	173.3	-177	-22.1	0	0	0	107.7	Y123 I124 T153 T154 G208 L209	D121-Y123 PolarHBondContact O-N 3.06Å; D121-Y123 PolarHBondContact OD1-N 3.26Å; D121-I124 HydrophobicContact CB-CD1 4.11Å; D121-I124 HydrophobicContact CB-CG1 3.88Å; D121-I124 PolarHBondContact O-N 3.42Å; D121-T153 PolarHBondContact N-O 2.94Å; D121-T154 VanDerWaalsContact O-CA 3.31Å; D121-T154 WeakPolarHBondContact O-CA 3.38Å; D121-T154 VanDerWaalsContact O-CB 3.24Å; D121-T154 WeakPolarHBondContact O-CB 3.36Å; D121-T154 PolarHBondContact O-OG1 3.33Å; D121-G208 VanDerWaalsContact OD2-CA 3.26Å; D121-G208 WeakPolarHBondContact OD2-CA 3.25Å; D121-L209 PolarHBondContact OD2-N 3.07Å
122	P	97.4	Very high	96.4	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.019	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-4.4	-174.2	27.1	-32.5	0	0	0	113	R125 G155 L190 D192	P122-R125 VanDerWaalsContact O-CZ 3.24Å; P122-R125 PolarHBondContact O-NE 3.41Å; P122-R125 PolarHBondContact O-NH2 2.74Å; P122-G155 PolarHBondContact O-N 2.88Å; P122-L190 HydrophobicContact CB-CB 4.22Å; P122-L190 HydrophobicContact CB-CD2 4.11Å; P122-L190 HydrophobicContact CB-CG 4.05Å; P122-L190 VanDerWaalsContact CB-O 3.25Å; P122-L190 WeakPolarHBondContact CB-O 3.32Å; P122-L190 HydrophobicContact CG-CG 4.36Å; P122-D192 VanDerWaalsContact CD-O 3.28Å; P122-D192 WeakPolarHBondContact CD-O 3.39Å
123	Y	96.6	Very high	96.7	Very high	99 Å²	99	37.3 Å²	37.3	39%	0.388	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	22.6	-176.4	-56	-77.6	0	0	0	112.8	D121 R125 Q129 R193	D121-Y123 PolarHBondContact O-N 3.06Å; D121-Y123 PolarHBondContact OD1-N 3.26Å; Y123-R125 VanDerWaalsContact C-N 3.26Å; Y123-R125 PolarHBondContact O-N 2.71Å; Y123-R125 VanDerWaalsContact O-N 3.08Å; Y123-Q129 WeakPolarHBondContact O-CB 3.37Å; Y123-Q129 WeakPolarHBondContact O-CG 3.48Å; Y123-Q129 PolarHBondContact O-NE2 2.88Å; Y123-Q129 PolarHBondContact O-OE1 3.17Å; Y123-R193 VanDerWaalsContact CE2-CZ 3.48Å
124	I	98	Very high	97.1	Very high	3 Å²	3	35 Å²	35	2%	0.015	17%	0.17	C	C	.	.			trans	-84.7	75	167	-48.8	-55.9	0	0	0	108.7	D121 I130 F133 L152 T154 Q164 F168 L209	D121-I124 HydrophobicContact CB-CD1 4.11Å; D121-I124 HydrophobicContact CB-CG1 3.88Å; D121-I124 PolarHBondContact O-N 3.42Å; I124-I130 HydrophobicContact CG2-CG1 4.16Å; I124-F133 HydrophobicContact CD1-CB 4.42Å; I124-F133 HydrophobicContact CG2-CB 3.83Å; I124-F133 HydrophobicContact CG2-CG 4.16Å; I124-L152 HydrophobicContact CB-CD1 4.39Å; I124-L152 HydrophobicContact CB-CD2 4.31Å; I124-L152 HydrophobicContact CG1-CD1 4.06Å; I124-L152 HydrophobicContact CG2-CD2 4.06Å; I124-T154 WeakPolarHBondContact CA-OG1 3.47Å; I124-T154 WeakPolarHBondContact CB-OG1 3.46Å; I124-T154 PolarHBondContact N-OG1 3.41Å; I124-T154 PolarHBondContact O-OG1 3.16Å; I124-T154 VanDerWaalsContact O-OG1 3.08Å; I124-Q164 PolarHBondContact O-NE2 3.29Å; I124-F168 HydrophobicContact CG2-CE1 3.96Å; I124-F168 HydrophobicContact CG2-CZ 4Å; I124-F168 WeakPolarHBondContact O-CZ 3.28Å; I124-L209 HydrophobicContact CD1-CB 4.46Å; I124-L209 HydrophobicContact CD1-CD1 4.43Å
125	R	96.6	Very high	97.1	Very high	70 Å²	70	36.2 Å²	36.2	26%	0.264	18%	0.175	S	C	.	.			trans	-119.6	-61	-169.9	-62.8	-176.4	-164.7	-157.2	7.6	114.1	P122 Y123 I130 G155 E156 D157 Q164	P122-R125 VanDerWaalsContact O-CZ 3.24Å; P122-R125 PolarHBondContact O-NE 3.41Å; P122-R125 PolarHBondContact O-NH2 2.74Å; Y123-R125 VanDerWaalsContact C-N 3.26Å; Y123-R125 PolarHBondContact O-N 2.71Å; Y123-R125 VanDerWaalsContact O-N 3.08Å; R125-I130 WeakPolarHBondContact O-CD1 3.02Å; R125-G155 WeakPolarHBondContact CG-O 3.42Å; R125-E156 WeakPolarHBondContact CD-O 3.36Å; R125-E156 PolarHBondContact NH1-O 3.24Å; R125-D157 HydrophobicContact CB-CB 4.04Å; R125-Q164 WeakPolarHBondContact O-CG 3.44Å
126	N	95	Very high	97.1	Very high	49 Å²	49	35.2 Å²	35.2	26%	0.262	17%	0.165	S	C	.	.	S	Bend	trans	-91.1	173.7	-174.3	65.7	44.1	0	0	0	111.8	Y128 Q129 I130	N126-Y128 VanDerWaalsContact C-N 3.33Å; N126-Y128 WeakPolarHBondContact ND2-CE1 3.49Å; N126-Y128 PolarHBondContact O-N 2.83Å; N126-Y128 WeakPolarHBondContact OD1-CD1 3.24Å; N126-Y128 WeakPolarHBondContact OD1-CE1 3.13Å; N126-Y128 PolarHBondContact OD1-N 3.44Å; N126-Q129 VanDerWaalsContact CG-CD 3.48Å; N126-Q129 VanDerWaalsContact ND2-CD 3.29Å; N126-Q129 PolarHBondContact ND2-OE1 3.08Å; N126-Q129 PolarHBondContact O-N 3.08Å; N126-Q129 VanDerWaalsContact O-N 3.12Å; N126-Q129 VanDerWaalsContact OD1-CG 3.3Å; N126-Q129 WeakPolarHBondContact OD1-CG 3.32Å; N126-Q129 PolarHBondContact OD1-N 3.25Å; N126-Q129 PolarHBondContact OD1-OE1 2.85Å; N126-I130 WeakPolarHBondContact O-CG1 3.47Å; N126-I130 PolarHBondContact O-N 3.38Å
127	S	93.8	Very high	97.1	Very high	60 Å²	60	31.4 Å²	31.4	42%	0.42	15%	0.148	S	C	.	.	H	α-helix	trans	-50.2	-45.4	-173.6	-50.5	0	0	0	0	115.1	E131 K167	S127-E131 WeakPolarHBondContact O-CB 3.35Å; S127-E131 PolarHBondContact O-N 3.43Å; S127-K167 PolarHBondContact OG-NZ 2.75Å
128	Y	92.3	Very high	97	Very high	61 Å²	61	35.9 Å²	35.9	24%	0.239	17%	0.169	C	C	.	.	H	α-helix	trans	-77.1	-31.1	-174.6	77	-98.3	0	0	0	111.5	N126 I130 E131 N132 D210	N126-Y128 VanDerWaalsContact C-N 3.33Å; N126-Y128 WeakPolarHBondContact ND2-CE1 3.49Å; N126-Y128 PolarHBondContact O-N 2.83Å; N126-Y128 WeakPolarHBondContact OD1-CD1 3.24Å; N126-Y128 WeakPolarHBondContact OD1-CE1 3.13Å; N126-Y128 PolarHBondContact OD1-N 3.44Å; Y128-I130 VanDerWaalsContact C-N 3.35Å; Y128-E131 WeakPolarHBondContact O-CB 3.41Å; Y128-E131 PolarHBondContact O-N 3Å; Y128-N132 PolarHBondContact O-N 2.98Å; Y128-D210 VanDerWaalsContact CE2-OD1 3.27Å; Y128-D210 WeakPolarHBondContact CE2-OD1 3.33Å; Y128-D210 PolarHBondContact OH-OD2 3.46Å
129	Q	96.3	Very high	97	Very high	13 Å²	13	33.1 Å²	33.1	6%	0.061	16%	0.16	C	C	.	.	H	α-helix	trans	-69	-38.9	175.2	-64.1	163.5	-32	0	0	110.5	Y123 N126 N132 F133	Y123-Q129 WeakPolarHBondContact O-CB 3.37Å; Y123-Q129 WeakPolarHBondContact O-CG 3.48Å; Y123-Q129 PolarHBondContact O-NE2 2.88Å; Y123-Q129 PolarHBondContact O-OE1 3.17Å; N126-Q129 VanDerWaalsContact CG-CD 3.48Å; N126-Q129 VanDerWaalsContact ND2-CD 3.29Å; N126-Q129 PolarHBondContact ND2-OE1 3.08Å; N126-Q129 PolarHBondContact O-N 3.08Å; N126-Q129 VanDerWaalsContact O-N 3.12Å; N126-Q129 VanDerWaalsContact OD1-CG 3.3Å; N126-Q129 WeakPolarHBondContact OD1-CG 3.32Å; N126-Q129 PolarHBondContact OD1-N 3.25Å; N126-Q129 PolarHBondContact OD1-OE1 2.85Å; Q129-N132 WeakPolarHBondContact O-CB 3.32Å; Q129-N132 PolarHBondContact O-N 3.27Å; Q129-F133 PolarHBondContact O-N 3.32Å
130	I	98	Very high	96.9	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.046	16%	0.16	C	C	.	.	H	α-helix	trans	-68.7	-37.9	173.5	-59.3	170.7	0	0	0	111	I124 R125 N126 Y128 N132 F133 S134 Q164 K167 F168	I124-I130 HydrophobicContact CG2-CG1 4.16Å; R125-I130 WeakPolarHBondContact O-CD1 3.02Å; N126-I130 WeakPolarHBondContact O-CG1 3.47Å; N126-I130 PolarHBondContact O-N 3.38Å; Y128-I130 VanDerWaalsContact C-N 3.35Å; I130-N132 PolarHBondContact O-N 3.17Å; I130-F133 PolarHBondContact O-N 2.93Å; I130-S134 WeakPolarHBondContact O-CB 3.02Å; I130-S134 PolarHBondContact O-N 2.87Å; I130-Q164 HydrophobicContact CD1-CB 4.43Å; I130-Q164 HydrophobicContact CD1-CG 4.1Å; I130-K167 HydrophobicContact CD1-CB 4.03Å; I130-K167 HydrophobicContact CD1-CD 3.83Å; I130-K167 HydrophobicContact CG2-CB 4.08Å; I130-F168 HydrophobicContact CD1-CD1 4.43Å; I130-F168 HydrophobicContact CD1-CE1 4.06Å; I130-F168 HydrophobicContact CG1-CD1 4.49Å; I130-F168 HydrophobicContact CG1-CE1 3.81Å; I130-F168 HydrophobicContact CG1-CZ 4.48Å; I130-F168 HydrophobicContact CG2-CD1 4.3Å; I130-F168 HydrophobicContact CG2-CE1 4.21Å
131	E	95.4	Very high	96.9	Very high	94 Å²	94	33.3 Å²	33.3	44%	0.439	16%	0.162	S	C	.	.	H	α-helix	trans	-58.3	-47.1	172.9	-174.3	-167.2	153.7	0	0	111.2	S127 Y128 F133 S134 H135 Y227 R230	S127-E131 WeakPolarHBondContact O-CB 3.35Å; S127-E131 PolarHBondContact O-N 3.43Å; Y128-E131 WeakPolarHBondContact O-CB 3.41Å; Y128-E131 PolarHBondContact O-N 3Å; E131-F133 PolarHBondContact O-N 3.44Å; E131-S134 WeakPolarHBondContact O-CB 3.31Å; E131-S134 PolarHBondContact O-N 3.17Å; E131-S134 VanDerWaalsContact O-N 3.17Å; E131-H135 PolarHBondContact O-N 3.37Å; E131-Y227 PolarHBondContact OE1-OH 2.91Å; E131-R230 IonicContact OE1-NH2 2.77Å
132	N	96.6	Very high	96.7	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.032	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-46.1	174.7	-78.3	-9	0	0	0	111.6	Y101 Y128 Q129 I130 S134 H135 F136 D210	Y101-N132 HydrophobicContact CE2-CB 4.35Å; Y101-N132 WeakPolarHBondContact CE2-O 3.48Å; Y101-N132 WeakPolarHBondContact OH-CB 3.4Å; Y101-N132 VanDerWaalsContact OH-CG 3.23Å; Y128-N132 PolarHBondContact O-N 2.98Å; Q129-N132 WeakPolarHBondContact O-CB 3.32Å; Q129-N132 PolarHBondContact O-N 3.27Å; I130-N132 PolarHBondContact O-N 3.17Å; N132-S134 VanDerWaalsContact C-N 3.32Å; N132-S134 PolarHBondContact O-N 2.6Å; N132-H135 PolarHBondContact O-N 3.41Å; N132-F136 PolarHBondContact O-N 3.36Å; N132-D210 PolarHBondContact ND2-OD1 3.44Å
133	F	98.5	Very high	96.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-38.1	175.5	-180	-107	0	0	0	112.6	V119 I124 Q129 I130 E131 F136 C137 I150 L152 L171 F182 L209	V119-F133 HydrophobicContact CB-CE2 4.14Å; V119-F133 HydrophobicContact CG1-CD2 4.42Å; V119-F133 HydrophobicContact CG1-CE2 4.17Å; V119-F133 HydrophobicContact CG2-CE2 4.03Å; I124-F133 HydrophobicContact CD1-CB 4.42Å; I124-F133 HydrophobicContact CG2-CB 3.83Å; I124-F133 HydrophobicContact CG2-CG 4.16Å; Q129-F133 PolarHBondContact O-N 3.32Å; I130-F133 PolarHBondContact O-N 2.93Å; E131-F133 PolarHBondContact O-N 3.44Å; F133-F136 HydrophobicContact CD2-CD1 4.36Å; F133-F136 HydrophobicContact CE2-CD1 4.34Å; F133-F136 WeakPolarHBondContact O-CB 3.27Å; F133-F136 PolarHBondContact O-N 3.31Å; F133-C137 PolarHBondContact O-N 3.27Å; F133-C137 PolarHBondContact O-SG 2.8Å; F133-I150 HydrophobicContact CZ-CG2 4.03Å; F133-L152 HydrophobicContact CD1-CD2 4.34Å; F133-L152 HydrophobicContact CD2-CD1 4.47Å; F133-L152 HydrophobicContact CE1-CD2 4.04Å; F133-L152 HydrophobicContact CE2-CD1 4.12Å; F133-L152 HydrophobicContact CE2-CD2 4.44Å; F133-L152 HydrophobicContact CZ-CB 4.1Å; F133-L152 HydrophobicContact CZ-CD1 4.45Å; F133-L152 HydrophobicContact CZ-CD2 4.1Å; F133-L152 HydrophobicContact CZ-CG 4.45Å; F133-L171 HydrophobicContact CD1-CD2 3.52Å; F133-L171 HydrophobicContact CE1-CD2 3.58Å; F133-F182 HydrophobicContact CE1-CD2 4.48Å; F133-F182 HydrophobicContact CE1-CE1 4.36Å; F133-F182 AromaticContact CE1-CE2 3.64Å; F133-F182 HydrophobicContact CE1-CE2 3.64Å; F133-F182 AromaticContact CE1-CZ 3.58Å; F133-F182 HydrophobicContact CE1-CZ 3.58Å; F133-F182 HydrophobicContact CZ-CD2 4.45Å; F133-F182 AromaticContact CZ-CE2 3.68Å; F133-F182 HydrophobicContact CZ-CE2 3.68Å; F133-F182 HydrophobicContact CZ-CZ 4.09Å; F133-L209 HydrophobicContact CB-CD1 4.31Å; F133-L209 HydrophobicContact CD2-CD1 3.88Å
134	S	98.1	Very high	96.5	Very high	38 Å²	38	39.9 Å²	39.9	27%	0.266	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-45.3	174.7	-171.3	0	0	0	0	111.5	I130 E131 N132 F136 C137 E138	I130-S134 WeakPolarHBondContact O-CB 3.02Å; I130-S134 PolarHBondContact O-N 2.87Å; E131-S134 WeakPolarHBondContact O-CB 3.31Å; E131-S134 PolarHBondContact O-N 3.17Å; E131-S134 VanDerWaalsContact O-N 3.17Å; N132-S134 VanDerWaalsContact C-N 3.32Å; N132-S134 PolarHBondContact O-N 2.6Å; S134-F136 VanDerWaalsContact C-N 3.3Å; S134-F136 PolarHBondContact O-N 3.25Å; S134-C137 WeakPolarHBondContact O-CA 3.49Å; S134-C137 WeakPolarHBondContact O-CB 3.24Å; S134-C137 PolarHBondContact O-N 3.08Å; S134-C137 VanDerWaalsContact O-N 3.08Å; S134-E138 PolarHBondContact O-N 2.77Å
135	H	96.6	Very high	96.3	Very high	27 Å²	27	40 Å²	40	13%	0.125	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-36.6	175.1	-178.1	-102.1	0	0	0	111.7	Y101 E131 N132 C137 E138 V139 Y227	Y101-H135 HydrophobicContact CD2-CB 4.13Å; Y101-H135 AromaticContact CD2-CE1 3.96Å; Y101-H135 AromaticContact CD2-CG 3.93Å; Y101-H135 AromaticContact CD2-ND1 3.02Å; Y101-H135 WeakPolarHBondContact CD2-ND1 3.47Å; Y101-H135 HydrophobicContact CE2-CB 4.09Å; Y101-H135 AromaticContact CE2-ND1 3.5Å; Y101-H135 AromaticContact CG-ND1 3.9Å; E131-H135 PolarHBondContact O-N 3.37Å; N132-H135 PolarHBondContact O-N 3.41Å; H135-C137 VanDerWaalsContact C-N 3.33Å; H135-E138 IonicContact CD2-OE2 3.85Å; H135-E138 PolarHBondContact CD2-OE2 2.77Å; H135-E138 WeakPolarHBondContact O-CB 2.87Å; H135-E138 PolarHBondContact O-N 3.48Å; H135-V139 PolarHBondContact O-N 3.33Å; H135-V139 VanDerWaalsContact O-N 3.17Å; H135-Y227 HydrophobicContact CB-CE1 4.12Å; H135-Y227 HydrophobicContact CB-CE2 4.24Å; H135-Y227 AromaticContact CD2-CD2 3.77Å; H135-Y227 AromaticContact CD2-CE2 3.72Å; H135-Y227 AromaticContact CE1-CD1 3.91Å; H135-Y227 AromaticContact CE1-CD2 3.66Å; H135-Y227 AromaticContact CE1-CG 3.47Å; H135-Y227 VanDerWaalsContact CE1-CG 3.47Å; H135-Y227 AromaticContact CG-CD2 3.94Å; H135-Y227 AromaticContact CG-CE1 3.95Å; H135-Y227 AromaticContact CG-CE2 3.75Å; H135-Y227 AromaticContact CG-CZ 3.77Å; H135-Y227 AromaticContact ND1-CD1 3.55Å; H135-Y227 AromaticContact ND1-CD2 3.85Å; H135-Y227 AromaticContact ND1-CE1 3.8Å; H135-Y227 AromaticContact ND1-CG 3.59Å; H135-Y227 AromaticContact NE2-CD2 3.59Å; H135-Y227 AromaticContact NE2-CG 3.89Å
136	F	98.3	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-40.2	171.7	173.3	-108.4	0	0	0	111.9	Y101 F105 V117 V119 N132 F133 S134 E138 V139 I140 I195 L209	Y101-F136 HydrophobicContact CD2-CB 3.86Å; Y101-F136 HydrophobicContact CE2-CB 4.36Å; Y101-F136 HydrophobicContact CG-CB 4.37Å; F105-F136 HydrophobicContact CB-CE2 3.88Å; F105-F136 HydrophobicContact CD1-CE2 4.28Å; F105-F136 AromaticContact CD2-CD2 3.58Å; F105-F136 HydrophobicContact CD2-CD2 3.58Å; F105-F136 AromaticContact CD2-CE2 3.55Å; F105-F136 HydrophobicContact CD2-CE2 3.55Å; F105-F136 AromaticContact CE2-CD2 3.99Å; F105-F136 HydrophobicContact CE2-CD2 3.99Å; F105-F136 HydrophobicContact CE2-CE2 4.13Å; F105-F136 HydrophobicContact CG-CD2 4.17Å; F105-F136 AromaticContact CG-CE2 3.64Å; F105-F136 HydrophobicContact CG-CE2 3.64Å; V117-F136 HydrophobicContact CG1-CE1 4.36Å; V117-F136 HydrophobicContact CG1-CZ 4.27Å; V119-F136 HydrophobicContact CG2-CD1 4.28Å; V119-F136 HydrophobicContact CG2-CE1 3.56Å; V119-F136 HydrophobicContact CG2-CZ 4.38Å; N132-F136 PolarHBondContact O-N 3.36Å; F133-F136 HydrophobicContact CD2-CD1 4.36Å; F133-F136 HydrophobicContact CE2-CD1 4.34Å; F133-F136 WeakPolarHBondContact O-CB 3.27Å; F133-F136 PolarHBondContact O-N 3.31Å; S134-F136 VanDerWaalsContact C-N 3.3Å; S134-F136 PolarHBondContact O-N 3.25Å; F136-E138 PolarHBondContact O-N 2.81Å; F136-V139 WeakPolarHBondContact O-CB 3.36Å; F136-V139 PolarHBondContact O-N 2.68Å; F136-I140 HydrophobicContact CD1-CD1 3.96Å; F136-I140 HydrophobicContact CE1-CD1 3.35Å; F136-I140 HydrophobicContact CE1-CG1 4.26Å; F136-I140 HydrophobicContact CE2-CD1 4.36Å; F136-I140 HydrophobicContact CE2-CG1 4.46Å; F136-I140 HydrophobicContact CZ-CD1 3.58Å; F136-I140 HydrophobicContact CZ-CG1 4.11Å; F136-I140 PolarHBondContact O-N 2.89Å; F136-I140 VanDerWaalsContact O-N 3.12Å; F136-I195 HydrophobicContact CE1-CD1 4.2Å; F136-I195 HydrophobicContact CE2-CD1 3.96Å; F136-I195 HydrophobicContact CZ-CD1 3.77Å; F136-I195 HydrophobicContact CZ-CG2 3.9Å; F136-L209 HydrophobicContact CB-CD1 4.02Å; F136-L209 HydrophobicContact CB-CD2 4.32Å; F136-L209 HydrophobicContact CD1-CD1 4.23Å; F136-L209 HydrophobicContact CD2-CD2 4.32Å; F136-L209 HydrophobicContact CG-CD1 4.17Å; F136-L209 HydrophobicContact CG-CD2 4.24Å
137	C	98.6	Very high	96.3	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-39.3	173.8	-67	0	0	0	0	112.3	F133 S134 H135 V139 I140 I141 L175	F133-C137 PolarHBondContact O-N 3.27Å; F133-C137 PolarHBondContact O-SG 2.8Å; S134-C137 WeakPolarHBondContact O-CA 3.49Å; S134-C137 WeakPolarHBondContact O-CB 3.24Å; S134-C137 PolarHBondContact O-N 3.08Å; S134-C137 VanDerWaalsContact O-N 3.08Å; H135-C137 VanDerWaalsContact C-N 3.33Å; C137-V139 VanDerWaalsContact C-N 3.29Å; C137-V139 PolarHBondContact O-N 3.05Å; C137-I140 WeakPolarHBondContact O-CB 3.37Å; C137-I140 PolarHBondContact O-N 3.35Å; C137-I140 VanDerWaalsContact O-N 3.12Å; C137-I141 WeakPolarHBondContact O-CD1 3.42Å; C137-I141 WeakPolarHBondContact O-CG1 3.49Å; C137-I141 PolarHBondContact O-N 2.86Å; C137-L175 HydrophobicContact CB-CD2 4.24Å
138	E	97.7	Very high	96.5	Very high	94 Å²	94	44.7 Å²	44.7	44%	0.439	22%	0.218	S	C	.	.	H	α-helix	trans	-58.6	-41.4	174.1	-68.9	176.3	149.1	0	0	111.8	S134 H135 F136 I140 I141 Q142	S134-E138 PolarHBondContact O-N 2.77Å; H135-E138 IonicContact CD2-OE2 3.85Å; H135-E138 PolarHBondContact CD2-OE2 2.77Å; H135-E138 WeakPolarHBondContact O-CB 2.87Å; H135-E138 PolarHBondContact O-N 3.48Å; F136-E138 PolarHBondContact O-N 2.81Å; E138-I140 VanDerWaalsContact C-N 3.33Å; E138-I140 PolarHBondContact O-N 2.9Å; E138-I141 PolarHBondContact O-N 3.29Å; E138-Q142 WeakPolarHBondContact O-CB 3.44Å; E138-Q142 VanDerWaalsContact O-CG 3.25Å; E138-Q142 WeakPolarHBondContact O-CG 3.49Å; E138-Q142 PolarHBondContact O-N 3.42Å
139	V	96.9	Very high	96.8	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-42.6	174.5	171	0	0	0	0	111.5	K102 L109 H135 F136 C137 S143	K102-V139 HydrophobicContact CB-CG1 4.2Å; K102-V139 HydrophobicContact CB-CG2 3.95Å; L109-V139 HydrophobicContact CD1-CG1 4.48Å; H135-V139 PolarHBondContact O-N 3.33Å; H135-V139 VanDerWaalsContact O-N 3.17Å; F136-V139 WeakPolarHBondContact O-CB 3.36Å; F136-V139 PolarHBondContact O-N 2.68Å; C137-V139 VanDerWaalsContact C-N 3.29Å; C137-V139 PolarHBondContact O-N 3.05Å; V139-S143 PolarHBondContact O-N 3.27Å
140	I	98.2	Very high	97	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-50.1	175.8	-70.6	169.7	0	0	0	110.8	L109 V117 F136 C137 E138 Q142 S143 V147 I150	L109-I140 HydrophobicContact CD1-CG1 4.05Å; V117-I140 HydrophobicContact CB-CD1 4.28Å; V117-I140 HydrophobicContact CG1-CD1 4.13Å; V117-I140 HydrophobicContact CG2-CD1 4.16Å; F136-I140 HydrophobicContact CD1-CD1 3.96Å; F136-I140 HydrophobicContact CE1-CD1 3.35Å; F136-I140 HydrophobicContact CE1-CG1 4.26Å; F136-I140 HydrophobicContact CE2-CD1 4.36Å; F136-I140 HydrophobicContact CE2-CG1 4.46Å; F136-I140 HydrophobicContact CZ-CD1 3.58Å; F136-I140 HydrophobicContact CZ-CG1 4.11Å; F136-I140 PolarHBondContact O-N 2.89Å; F136-I140 VanDerWaalsContact O-N 3.12Å; C137-I140 WeakPolarHBondContact O-CB 3.37Å; C137-I140 PolarHBondContact O-N 3.35Å; C137-I140 VanDerWaalsContact O-N 3.12Å; E138-I140 VanDerWaalsContact C-N 3.33Å; E138-I140 PolarHBondContact O-N 2.9Å; I140-Q142 VanDerWaalsContact C-N 3.3Å; I140-Q142 PolarHBondContact O-N 2.9Å; I140-S143 WeakPolarHBondContact O-CB 3.39Å; I140-S143 PolarHBondContact O-N 2.88Å; I140-S143 PolarHBondContact O-OG 2.74Å; I140-V147 HydrophobicContact CG2-CB 3.59Å; I140-V147 HydrophobicContact CG2-CG1 3.82Å; I140-V147 HydrophobicContact CG2-CG2 3.62Å; I140-I150 HydrophobicContact CB-CD1 4.48Å; I140-I150 HydrophobicContact CD1-CD1 3.91Å; I140-I150 HydrophobicContact CD1-CG1 4.31Å; I140-I150 HydrophobicContact CG2-CD1 4.11Å
141	I	96.9	Very high	97	Very high	60 Å²	60	44.7 Å²	44.7	31%	0.308	22%	0.219	S	C	.	.	H	α-helix	trans	-64.4	-36.3	-176	-61.7	157.3	0	0	0	111.6	C137 E138 S143 L175 H178	C137-I141 WeakPolarHBondContact O-CD1 3.42Å; C137-I141 WeakPolarHBondContact O-CG1 3.49Å; C137-I141 PolarHBondContact O-N 2.86Å; E138-I141 PolarHBondContact O-N 3.29Å; I141-S143 VanDerWaalsContact C-N 3.28Å; I141-S143 PolarHBondContact O-N 2.91Å; I141-L175 HydrophobicContact CD1-CD2 3.42Å; I141-L175 VanDerWaalsContact CD1-CD2 3.42Å; I141-L175 HydrophobicContact CG1-CD2 3.89Å; I141-H178 HydrophobicContact CG2-CB 4.24Å
142	Q	95.1	Very high	97.2	Very high	138 Å²	138	40.3 Å²	40.3	65%	0.645	20%	0.199	S	C	*	.	H	α-helix	trans	-78.4	-11.1	179.8	-70.9	178.6	12	0	0	113.8	E138 I140	E138-Q142 WeakPolarHBondContact O-CB 3.44Å; E138-Q142 VanDerWaalsContact O-CG 3.25Å; E138-Q142 WeakPolarHBondContact O-CG 3.49Å; E138-Q142 PolarHBondContact O-N 3.42Å; I140-Q142 VanDerWaalsContact C-N 3.3Å; I140-Q142 PolarHBondContact O-N 2.9Å
143	S	95.2	Very high	97.3	Very high	17 Å²	17	41.8 Å²	41.8	12%	0.119	21%	0.208	C	C	.	.	S	Bend	trans	-72.5	166.5	-176.9	76.3	0	0	0	0	113	L109 V139 I140 I141 S145	L109-S143 VanDerWaalsContact CB-CB 3.5Å; V139-S143 PolarHBondContact O-N 3.27Å; I140-S143 WeakPolarHBondContact O-CB 3.39Å; I140-S143 PolarHBondContact O-N 2.88Å; I140-S143 PolarHBondContact O-OG 2.74Å; I141-S143 VanDerWaalsContact C-N 3.28Å; I141-S143 PolarHBondContact O-N 2.91Å; S143-S145 VanDerWaalsContact C-N 3.25Å; S143-S145 PolarHBondContact O-N 2.92Å; S143-S145 PolarHBondContact OG-N 2.92Å; S143-S145 PolarHBondContact OG-O 3.37Å
144	V	93.6	Very high	97.3	Very high	88 Å²	88	41.8 Å²	41.8	53%	0.533	21%	0.208	S	C	.	.	S	Bend	trans	-66.3	-31.2	173.9	176.2	0	0	0	0	111.5	E110 K146	E110-V144 WeakPolarHBondContact O-CB 3.47Å; E110-V144 WeakPolarHBondContact OE2-CG2 3.21Å; V144-K146 PolarHBondContact O-N 3.2Å
145	S	94.8	Very high	97.3	Very high	5 Å²	5	40 Å²	40	4%	0.035	20%	0.195	C	C	.	.	S	Bend	trans	-66.1	129	177.4	-74.7	0	0	0	0	112	L109 G112 T113 V114 S143 V147	L109-S145 VanDerWaalsContact O-CB 3.26Å; L109-S145 WeakPolarHBondContact O-CB 3.42Å; L109-S145 PolarHBondContact O-N 3.45Å; L109-S145 VanDerWaalsContact O-N 3.07Å; L109-S145 PolarHBondContact O-OG 2.96Å; G112-S145 VanDerWaalsContact CA-OG 3.3Å; G112-S145 WeakPolarHBondContact CA-OG 3.46Å; G112-S145 PolarHBondContact N-OG 3.45Å; T113-S145 PolarHBondContact N-OG 3.03Å; V114-S145 PolarHBondContact N-OG 2.84Å; S143-S145 VanDerWaalsContact C-N 3.25Å; S143-S145 PolarHBondContact O-N 2.92Å; S143-S145 PolarHBondContact OG-N 2.92Å; S143-S145 PolarHBondContact OG-O 3.37Å; S145-V147 PolarHBondContact O-N 3Å
146	K	93.6	Very high	97.3	Very high	169 Å²	169	42.7 Å²	42.7	74%	0.735	21%	0.208	S	C	*	.			trans	-85.5	61	177.7	-64.3	-176.6	-179.2	177.4	0	110.4	V144 K148	V144-K146 PolarHBondContact O-N 3.2Å; K146-K148 PolarHBondContact O-N 3.26Å
147	V	98.2	Very high	97.2	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.048	21%	0.213	C	C	.	.			trans	-55.4	132.1	179.4	-179.8	0	0	0	0	109.7	L109 V114 V117 I140 S145 I150 V180	L109-V147 HydrophobicContact CD2-CG2 4.09Å; V114-V147 HydrophobicContact CB-CG2 4.32Å; V114-V147 HydrophobicContact CG1-CG2 3.9Å; V117-V147 HydrophobicContact CG2-CG1 4.05Å; V117-V147 HydrophobicContact CG2-CG2 4.25Å; I140-V147 HydrophobicContact CG2-CB 3.59Å; I140-V147 HydrophobicContact CG2-CG1 3.82Å; I140-V147 HydrophobicContact CG2-CG2 3.62Å; S145-V147 PolarHBondContact O-N 3Å; V147-I150 HydrophobicContact CG1-CG1 4.16Å; V147-V180 WeakPolarHBondContact O-CG2 3.38Å
148	K	98.3	Very high	97.1	Very high	101 Å²	101	48.4 Å²	48.4	44%	0.439	25%	0.252	S	S	.	.			trans	-111.3	-26	-178.9	-64.7	-52.4	-177.5	-174.2	0	113.2	G115 K146 T181	G115-K148 PolarHBondContact O-N 3.47Å; K146-K148 PolarHBondContact O-N 3.26Å; K148-T181 PolarHBondContact O-N 3.44Å
149	N	98.8	Very high	97	Very high	32 Å²	32	51.4 Å²	51.4	17%	0.171	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.9	-179.3	-55.3	96	0	0	0	111.1	G115 K116 V117 Y151 T181	G115-N149 PolarHBondContact O-N 3.03Å; K116-N149 WeakPolarHBondContact CA-O 3.24Å; K116-N149 HydrophobicContact CB-CB 4.49Å; K116-N149 HydrophobicContact CG-CB 4.09Å; V117-N149 PolarHBondContact N-O 3.16Å; N149-Y151 HydrophobicContact CB-CD2 4.28Å; N149-Y151 HydrophobicContact CB-CE1 4.46Å; N149-Y151 HydrophobicContact CB-CE2 3.43Å; N149-Y151 VanDerWaalsContact CB-CE2 3.43Å; N149-Y151 WeakPolarHBondContact CB-OH 3.22Å; N149-Y151 PolarHBondContact ND2-OH 3.16Å; N149-T181 WeakPolarHBondContact CA-O 3.37Å
150	I	98.9	Very high	96.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.8	168.3	-59.2	174.8	0	0	0	106.7	V117 F133 I140 V147 L175 V180 T181 F182 E183	V117-I150 WeakPolarHBondContact O-CA 3.23Å; F133-I150 HydrophobicContact CZ-CG2 4.03Å; I140-I150 HydrophobicContact CB-CD1 4.48Å; I140-I150 HydrophobicContact CD1-CD1 3.91Å; I140-I150 HydrophobicContact CD1-CG1 4.31Å; I140-I150 HydrophobicContact CG2-CD1 4.11Å; V147-I150 HydrophobicContact CG1-CG1 4.16Å; I150-L175 HydrophobicContact CD1-CD1 4.37Å; I150-L175 HydrophobicContact CD1-CD2 4.22Å; I150-V180 HydrophobicContact CD1-CG1 3.84Å; I150-V180 HydrophobicContact CG1-CG1 3.88Å; I150-T181 PolarHBondContact N-O 3.33Å; I150-F182 HydrophobicContact CB-CD2 4.26Å; I150-F182 HydrophobicContact CG2-CD2 4.12Å; I150-F182 WeakPolarHBondContact O-CA 3.21Å; I150-E183 PolarHBondContact O-N 2.85Å
151	Y	98.8	Very high	96.9	Very high	52 Å²	52	57.4 Å²	57.4	20%	0.204	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124	177.1	-54	-84.7	0	0	0	109.2	K116 V117 W118 V119 N149 E183	K116-Y151 HydrophobicContact CB-CE2 4.33Å; K116-Y151 HydrophobicContact CD-CE2 4.22Å; K116-Y151 HydrophobicContact CG-CE2 4.5Å; V117-Y151 PolarHBondContact O-N 2.92Å; W118-Y151 CarbonylContact C-O 3.41Å; W118-Y151 WeakPolarHBondContact CA-O 3.35Å; W118-Y151 AromaticContact CD1-CD2 3.56Å; W118-Y151 AromaticContact CD1-CG 3.8Å; W118-Y151 HydrophobicContact CD2-CD2 4.2Å; W118-Y151 AromaticContact CE2-CD2 3.72Å; W118-Y151 HydrophobicContact CG-CD2 4.1Å; W118-Y151 HydrophobicContact CZ2-CD2 4.36Å; W118-Y151 HydrophobicContact CZ2-CE2 4.19Å; W118-Y151 AromaticContact NE1-CD2 3.27Å; W118-Y151 VanDerWaalsContact NE1-CD2 3.27Å; W118-Y151 AromaticContact NE1-CE2 3.8Å; W118-Y151 AromaticContact NE1-CG 3.79Å; V119-Y151 PolarHBondContact N-O 3.15Å; N149-Y151 HydrophobicContact CB-CD2 4.28Å; N149-Y151 HydrophobicContact CB-CE1 4.46Å; N149-Y151 HydrophobicContact CB-CE2 3.43Å; N149-Y151 VanDerWaalsContact CB-CE2 3.43Å; N149-Y151 WeakPolarHBondContact CB-OH 3.22Å; N149-Y151 PolarHBondContact ND2-OH 3.16Å; Y151-E183 CarbonylContact C-O 3.49Å; Y151-E183 WeakPolarHBondContact CA-O 3.45Å; Y151-E183 HydrophobicContact CD1-CB 4.19Å; Y151-E183 VanDerWaalsContact CE1-OE2 3.23Å; Y151-E183 WeakPolarHBondContact CE1-OE2 3.42Å
152	L	98.8	Very high	96.9	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.4	176.2	173.4	64.8	0	0	0	110.8	V119 I124 F133 T154 F168 F182 E183 W184 T185	V119-L152 HydrophobicContact CB-CD1 4.09Å; V119-L152 HydrophobicContact CG1-CD1 3.93Å; V119-L152 CarbonylContact O-C 3.56Å; V119-L152 WeakPolarHBondContact O-CA 3.47Å; I124-L152 HydrophobicContact CB-CD1 4.39Å; I124-L152 HydrophobicContact CB-CD2 4.31Å; I124-L152 HydrophobicContact CG1-CD1 4.06Å; I124-L152 HydrophobicContact CG2-CD2 4.06Å; F133-L152 HydrophobicContact CD1-CD2 4.34Å; F133-L152 HydrophobicContact CD2-CD1 4.47Å; F133-L152 HydrophobicContact CE1-CD2 4.04Å; F133-L152 HydrophobicContact CE2-CD1 4.12Å; F133-L152 HydrophobicContact CE2-CD2 4.44Å; F133-L152 HydrophobicContact CZ-CB 4.1Å; F133-L152 HydrophobicContact CZ-CD1 4.45Å; F133-L152 HydrophobicContact CZ-CD2 4.1Å; F133-L152 HydrophobicContact CZ-CG 4.45Å; L152-T154 HydrophobicContact CD2-CG2 4.04Å; L152-T154 HydrophobicContact CG-CG2 4.07Å; L152-F168 HydrophobicContact CD2-CE1 3.94Å; L152-F168 HydrophobicContact CD2-CE2 4.19Å; L152-F168 HydrophobicContact CD2-CZ 3.63Å; L152-F182 HydrophobicContact CB-CE2 3.7Å; L152-F182 HydrophobicContact CB-CZ 4.18Å; L152-F182 HydrophobicContact CD2-CE2 4.37Å; L152-F182 HydrophobicContact CD2-CZ 4.05Å; L152-E183 PolarHBondContact N-O 3.28Å; L152-W184 HydrophobicContact CB-CB 4.03Å; L152-W184 HydrophobicContact CD2-CB 4.38Å; L152-W184 HydrophobicContact CG-CB 4.4Å; L152-W184 CarbonylContact O-C 3.58Å; L152-W184 WeakPolarHBondContact O-CA 3.21Å; L152-T185 PolarHBondContact O-N 3.18Å
153	T	98.7	Very high	97.1	Very high	36 Å²	36	57.9 Å²	57.9	22%	0.221	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.1	163.5	-47.2	0	0	0	0	108.3	V119 E120 D121 T185 L190	V119-T153 PolarHBondContact O-N 3.31Å; E120-T153 WeakPolarHBondContact CA-O 3.19Å; D121-T153 PolarHBondContact N-O 2.94Å; T153-T185 WeakPolarHBondContact CA-O 3.31Å; T153-L190 HydrophobicContact CG2-CD2 4.08Å; T153-L190 WeakPolarHBondContact O-CD2 3.49Å
154	T	98.6	Very high	97.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	173.1	-176.9	-176.9	0	0	0	0	110.9	D121 I124 L152 F168 T185 F186 S187	D121-T154 VanDerWaalsContact O-CA 3.31Å; D121-T154 WeakPolarHBondContact O-CA 3.38Å; D121-T154 VanDerWaalsContact O-CB 3.24Å; D121-T154 WeakPolarHBondContact O-CB 3.36Å; D121-T154 PolarHBondContact O-OG1 3.33Å; I124-T154 WeakPolarHBondContact CA-OG1 3.47Å; I124-T154 WeakPolarHBondContact CB-OG1 3.46Å; I124-T154 PolarHBondContact N-OG1 3.41Å; I124-T154 PolarHBondContact O-OG1 3.16Å; I124-T154 VanDerWaalsContact O-OG1 3.08Å; L152-T154 HydrophobicContact CD2-CG2 4.04Å; L152-T154 HydrophobicContact CG-CG2 4.07Å; T154-F168 HydrophobicContact CG2-CE2 3.98Å; T154-F168 HydrophobicContact CG2-CZ 4.02Å; T154-T185 PolarHBondContact N-O 3.43Å; T154-T185 VanDerWaalsContact N-O 3.08Å; T154-F186 HydrophobicContact CG2-CD1 3.94Å; T154-F186 HydrophobicContact CG2-CE1 3.91Å; T154-F186 CarbonylContact O-C 3.6Å; T154-F186 VanDerWaalsContact O-CA 3.25Å; T154-F186 WeakPolarHBondContact O-CA 3.47Å; T154-S187 PolarHBondContact O-N 3.11Å
155	G	97.8	Very high	97.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-84.1	157.9	167.9	0	0	0	0	0	111.9	P122 R125 Q164	P122-G155 PolarHBondContact O-N 2.88Å; R125-G155 WeakPolarHBondContact CG-O 3.42Å; G155-Q164 PolarHBondContact O-NE2 3.4Å
156	E	97.6	Very high	97.6	Very high	84 Å²	84	61.5 Å²	61.5	39%	0.393	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-79.3	143	171	-169.4	170.5	-132.5	0	0	110.6	R125 A158 P161 F186	R125-E156 WeakPolarHBondContact CD-O 3.36Å; R125-E156 PolarHBondContact NH1-O 3.24Å; E156-A158 PolarHBondContact O-N 3.45Å; E156-P161 HydrophobicContact CG-CB 3.77Å; E156-F186 HydrophobicContact CB-CD1 4.1Å; E156-F186 HydrophobicContact CB-CE1 4.46Å; E156-F186 HydrophobicContact CB-CG 4.16Å
157	D	96.7	Very high	97.9	Very high	22 Å²	22	55.7 Å²	55.7	12%	0.118	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-70.1	124.6	172	-165.8	-72.8	0	0	0	109.9	R125 Q159 H160 P161 Q164	R125-D157 HydrophobicContact CB-CB 4.04Å; D157-Q159 VanDerWaalsContact C-N 3.28Å; D157-Q159 PolarHBondContact O-N 3.18Å; D157-Q159 PolarHBondContact OD1-N 2.98Å; D157-H160 PolarHBondContact OD1-N 3Å; D157-P161 WeakPolarHBondContact O-CD 3.4Å; D157-Q164 HydrophobicContact CB-CB 4.37Å
158	A	95	Very high	97.9	Very high	99 Å²	99	55.3 Å²	55.3	82%	0.818	28%	0.284	S	S	*	.	S	Bend	trans	-72.6	-19.8	-175.1	0	0	0	0	0	113.8	E156	E156-A158 PolarHBondContact O-N 3.45Å
159	Q	95.9	Very high	97.9	Very high	157 Å²	157	54.4 Å²	54.4	73%	0.734	28%	0.284	S	S	*	.	S	Bend	trans	-109.7	-39	-175.4	-66.4	-173.3	-22.9	0	0	112.3	D157 P161	D157-Q159 VanDerWaalsContact C-N 3.28Å; D157-Q159 PolarHBondContact O-N 3.18Å; D157-Q159 PolarHBondContact OD1-N 2.98Å; Q159-P161 VanDerWaalsContact C-CD 3.44Å
160	H	96.4	Very high	97.9	Very high	100 Å²	100	58.4 Å²	58.4	46%	0.463	30%	0.303	S	S	.	.			trans	-131.7	56	-173.7	-50.2	95.9	0	0	0	112.2	D157 D162 E163 Q164	D157-H160 PolarHBondContact OD1-N 3Å; H160-D162 VanDerWaalsContact C-N 3.29Å; H160-D162 PolarHBondContact O-N 3.11Å; H160-E163 HydrophobicContact CB-CB 3.98Å; H160-E163 IonicContact CG-OE2 3.91Å; H160-E163 PolarHBondContact O-N 3.19Å; H160-Q164 PolarHBondContact O-N 2.93Å; H160-Q164 VanDerWaalsContact O-N 3.14Å
161	P	96.9	Very high	97.9	Very high	35 Å²	35	59.1 Å²	59.1	23%	0.227	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-37.3	-179.5	26	-34.1	0	0	0	112.3	E156 D157 Q159 E163 Q164 I165	E156-P161 HydrophobicContact CG-CB 3.77Å; D157-P161 WeakPolarHBondContact O-CD 3.4Å; Q159-P161 VanDerWaalsContact C-CD 3.44Å; P161-E163 VanDerWaalsContact C-N 3.33Å; P161-E163 PolarHBondContact O-N 2.97Å; P161-Q164 WeakPolarHBondContact O-CB 3.41Å; P161-Q164 PolarHBondContact O-N 3.47Å; P161-I165 WeakPolarHBondContact O-CG1 3.28Å; P161-I165 PolarHBondContact O-N 2.92Å
162	D	98	Very high	97.9	Very high	134 Å²	134	59.4 Å²	59.4	72%	0.717	31%	0.309	S	S	*	.	H	α-helix	trans	-62.4	-40.1	177.7	-64.9	-37	0	0	0	111.9	H160 I165 E166	H160-D162 VanDerWaalsContact C-N 3.29Å; H160-D162 PolarHBondContact O-N 3.11Å; D162-I165 PolarHBondContact O-N 3Å; D162-E166 WeakPolarHBondContact O-CB 3.27Å; D162-E166 PolarHBondContact O-N 3.29Å
163	E	97.7	Very high	97.9	Very high	75 Å²	75	60.5 Å²	60.5	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-68.8	-37.8	177.8	-172.5	-176.1	171.7	0	0	111.5	H160 P161 E166 K167	H160-E163 HydrophobicContact CB-CB 3.98Å; H160-E163 IonicContact CG-OE2 3.91Å; H160-E163 PolarHBondContact O-N 3.19Å; P161-E163 VanDerWaalsContact C-N 3.33Å; P161-E163 PolarHBondContact O-N 2.97Å; E163-E166 PolarHBondContact O-N 2.91Å; E163-K167 VanDerWaalsContact CD-NZ 3.3Å; E163-K167 WeakPolarHBondContact O-CG 3.48Å; E163-K167 PolarHBondContact O-N 3.29Å; E163-K167 VanDerWaalsContact O-N 3.1Å; E163-K167 IonicContact OE1-NZ 2.6Å; E163-K167 PolarHBondContact OE1-NZ 3.12Å
164	Q	98.4	Very high	97.9	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.009	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-49.3	173.2	-178.9	-173.9	22.6	0	0	110.6	I124 R125 I130 G155 D157 H160 P161 K167 F168	I124-Q164 PolarHBondContact O-NE2 3.29Å; R125-Q164 WeakPolarHBondContact O-CG 3.44Å; I130-Q164 HydrophobicContact CD1-CB 4.43Å; I130-Q164 HydrophobicContact CD1-CG 4.1Å; G155-Q164 PolarHBondContact O-NE2 3.4Å; D157-Q164 HydrophobicContact CB-CB 4.37Å; H160-Q164 PolarHBondContact O-N 2.93Å; H160-Q164 VanDerWaalsContact O-N 3.14Å; P161-Q164 WeakPolarHBondContact O-CB 3.41Å; P161-Q164 PolarHBondContact O-N 3.47Å; Q164-K167 PolarHBondContact O-N 2.92Å; Q164-F168 HydrophobicContact CG-CD2 4.16Å; Q164-F168 HydrophobicContact CG-CE1 4.49Å; Q164-F168 HydrophobicContact CG-CE2 3.7Å; Q164-F168 HydrophobicContact CG-CZ 3.89Å; Q164-F168 WeakPolarHBondContact O-CG 3.44Å; Q164-F168 PolarHBondContact O-N 3.42Å
165	I	98.6	Very high	97.9	Very high	53 Å²	53	62.3 Å²	62.3	27%	0.272	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-41.1	178.9	-68.9	168.3	0	0	0	111.4	P161 D162 K167 F168 N169 W184 F186	P161-I165 WeakPolarHBondContact O-CG1 3.28Å; P161-I165 PolarHBondContact O-N 2.92Å; D162-I165 PolarHBondContact O-N 3Å; I165-K167 VanDerWaalsContact C-N 3.34Å; I165-K167 PolarHBondContact O-N 3.23Å; I165-F168 PolarHBondContact O-N 3.19Å; I165-N169 WeakPolarHBondContact CG2-ND2 3.43Å; I165-N169 PolarHBondContact O-N 3.17Å; I165-N169 PolarHBondContact O-ND2 3.37Å; I165-W184 HydrophobicContact CG2-CZ2 4.44Å; I165-F186 HydrophobicContact CD1-CE2 4.25Å; I165-F186 HydrophobicContact CG1-CE2 4.06Å; I165-F186 HydrophobicContact CG1-CZ 4.06Å
166	E	98.6	Very high	97.9	Very high	130 Å²	130	67.4 Å²	67.4	61%	0.607	35%	0.353	S	S	*	.	H	α-helix	trans	-58.5	-46.9	176.5	-175.4	-178.6	178.5	0	0	111	D162 E163 N169 M170	D162-E166 WeakPolarHBondContact O-CB 3.27Å; D162-E166 PolarHBondContact O-N 3.29Å; E163-E166 PolarHBondContact O-N 2.91Å; E166-N169 PolarHBondContact O-N 3.27Å; E166-M170 PolarHBondContact O-N 3.38Å
167	K	98.5	Very high	97.9	Very high	47 Å²	47	70.8 Å²	70.8	20%	0.204	37%	0.366	C	S	.	.	H	α-helix	trans	-67.7	-37.2	177.8	-71.7	172.8	-176.1	149.7	0	113	S127 I130 E163 Q164 I165 N169 M170 L171	S127-K167 PolarHBondContact OG-NZ 2.75Å; I130-K167 HydrophobicContact CD1-CB 4.03Å; I130-K167 HydrophobicContact CD1-CD 3.83Å; I130-K167 HydrophobicContact CG2-CB 4.08Å; E163-K167 VanDerWaalsContact CD-NZ 3.3Å; E163-K167 WeakPolarHBondContact O-CG 3.48Å; E163-K167 PolarHBondContact O-N 3.29Å; E163-K167 VanDerWaalsContact O-N 3.1Å; E163-K167 IonicContact OE1-NZ 2.6Å; E163-K167 PolarHBondContact OE1-NZ 3.12Å; Q164-K167 PolarHBondContact O-N 2.92Å; I165-K167 VanDerWaalsContact C-N 3.34Å; I165-K167 PolarHBondContact O-N 3.23Å; K167-N169 VanDerWaalsContact C-N 3.33Å; K167-M170 WeakPolarHBondContact O-CB 3.21Å; K167-M170 PolarHBondContact O-N 3.01Å; K167-L171 WeakPolarHBondContact O-CB 3.39Å; K167-L171 PolarHBondContact O-N 3.42Å
168	F	98.8	Very high	98	Very high	0 Å²	0	75 Å²	75	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-63.7	-39.3	173.2	-72.2	-13.7	0	0	0	112.2	I124 I130 L152 T154 Q164 I165 L171 K172 F182 W184 F186	I124-F168 HydrophobicContact CG2-CE1 3.96Å; I124-F168 HydrophobicContact CG2-CZ 4Å; I124-F168 WeakPolarHBondContact O-CZ 3.28Å; I130-F168 HydrophobicContact CD1-CD1 4.43Å; I130-F168 HydrophobicContact CD1-CE1 4.06Å; I130-F168 HydrophobicContact CG1-CD1 4.49Å; I130-F168 HydrophobicContact CG1-CE1 3.81Å; I130-F168 HydrophobicContact CG1-CZ 4.48Å; I130-F168 HydrophobicContact CG2-CD1 4.3Å; I130-F168 HydrophobicContact CG2-CE1 4.21Å; L152-F168 HydrophobicContact CD2-CE1 3.94Å; L152-F168 HydrophobicContact CD2-CE2 4.19Å; L152-F168 HydrophobicContact CD2-CZ 3.63Å; T154-F168 HydrophobicContact CG2-CE2 3.98Å; T154-F168 HydrophobicContact CG2-CZ 4.02Å; Q164-F168 HydrophobicContact CG-CD2 4.16Å; Q164-F168 HydrophobicContact CG-CE1 4.49Å; Q164-F168 HydrophobicContact CG-CE2 3.7Å; Q164-F168 HydrophobicContact CG-CZ 3.89Å; Q164-F168 WeakPolarHBondContact O-CG 3.44Å; Q164-F168 PolarHBondContact O-N 3.42Å; I165-F168 PolarHBondContact O-N 3.19Å; F168-L171 PolarHBondContact O-N 3.08Å; F168-K172 VanDerWaalsContact O-CB 3.27Å; F168-K172 WeakPolarHBondContact O-CB 3.15Å; F168-K172 PolarHBondContact O-N 3.16Å; F168-F182 HydrophobicContact CB-CE1 4.23Å; F168-F182 HydrophobicContact CG-CE1 4.5Å; F168-W184 HydrophobicContact CB-CD2 3.94Å; F168-W184 HydrophobicContact CB-CE3 3.87Å; F168-W184 HydrophobicContact CB-CH2 3.88Å; F168-W184 HydrophobicContact CB-CZ2 3.95Å; F168-W184 HydrophobicContact CB-CZ3 3.82Å; F168-W184 HydrophobicContact CD2-CB 4.44Å; F168-W184 AromaticContact CD2-CD1 3.69Å; F168-W184 AromaticContact CD2-CD2 3.81Å; F168-W184 HydrophobicContact CD2-CD2 3.81Å; F168-W184 AromaticContact CD2-CE2 3.85Å; F168-W184 HydrophobicContact CD2-CE3 4.49Å; F168-W184 AromaticContact CD2-CG 3.73Å; F168-W184 HydrophobicContact CD2-CG 3.73Å; F168-W184 AromaticContact CD2-NE1 3.75Å; F168-W184 HydrophobicContact CE2-CG 4.19Å; F168-W184 HydrophobicContact CG-CD2 4.23Å; F168-W184 HydrophobicContact CG-CE3 4.48Å; F168-W184 HydrophobicContact CG-CG 4.5Å; F168-F186 HydrophobicContact CD2-CZ 4.34Å; F168-F186 AromaticContact CE2-CE1 3.9Å; F168-F186 HydrophobicContact CE2-CE1 3.9Å; F168-F186 HydrophobicContact CE2-CZ 4.13Å
169	N	98.8	Very high	98.1	Very high	82 Å²	82	74.2 Å²	74.2	44%	0.439	37%	0.374	S	S	.	.	H	α-helix	trans	-66.2	-39	173	-78.8	-62.7	0	0	0	112.5	I165 E166 K167 K172 G173	I165-N169 WeakPolarHBondContact CG2-ND2 3.43Å; I165-N169 PolarHBondContact O-N 3.17Å; I165-N169 PolarHBondContact O-ND2 3.37Å; E166-N169 PolarHBondContact O-N 3.27Å; K167-N169 VanDerWaalsContact C-N 3.33Å; N169-K172 WeakPolarHBondContact O-CB 2.87Å; N169-K172 PolarHBondContact O-N 3.4Å; N169-G173 PolarHBondContact O-N 3.43Å
170	M	98.5	Very high	98.2	Very high	117 Å²	117	67.1 Å²	67.1	58%	0.576	34%	0.341	S	S	*	.	H	α-helix	trans	-59.2	-51.4	173.7	-175.1	-174.4	-60.1	0	0	111	E166 K167 K172 G173 D174	E166-M170 PolarHBondContact O-N 3.38Å; K167-M170 WeakPolarHBondContact O-CB 3.21Å; K167-M170 PolarHBondContact O-N 3.01Å; M170-K172 VanDerWaalsContact C-N 3.32Å; M170-K172 PolarHBondContact O-N 2.94Å; M170-G173 PolarHBondContact O-N 3.46Å; M170-D174 PolarHBondContact O-N 3.43Å; M170-D174 VanDerWaalsContact O-N 3.1Å
171	L	98.6	Very high	98.3	Very high	14 Å²	14	65.2 Å²	65.2	7%	0.073	34%	0.336	C	S	.	.	H	α-helix	trans	-62.3	-39.4	177.7	-178.8	58.2	0	0	0	111.8	F133 K167 F168 G173 D174 L175 F182	F133-L171 HydrophobicContact CD1-CD2 3.52Å; F133-L171 HydrophobicContact CE1-CD2 3.58Å; K167-L171 WeakPolarHBondContact O-CB 3.39Å; K167-L171 PolarHBondContact O-N 3.42Å; F168-L171 PolarHBondContact O-N 3.08Å; L171-G173 PolarHBondContact O-N 2.91Å; L171-D174 PolarHBondContact O-N 3.15Å; L171-L175 HydrophobicContact CD1-CD1 4.06Å; L171-L175 HydrophobicContact CD1-CG 4.2Å; L171-L175 HydrophobicContact CG-CD1 3.85Å; L171-L175 HydrophobicContact CG-CG 4.43Å; L171-L175 WeakPolarHBondContact O-CB 3.36Å; L171-L175 WeakPolarHBondContact O-CG 3.31Å; L171-L175 PolarHBondContact O-N 3.2Å; L171-F182 HydrophobicContact CD2-CE1 4.29Å; L171-F182 HydrophobicContact CG-CD1 4.46Å; L171-F182 HydrophobicContact CG-CE1 4.46Å
172	K	98.8	Very high	98.4	Very high	58 Å²	58	63.5 Å²	63.5	25%	0.252	33%	0.325	S	S	.	.	H	α-helix	trans	-57	-48.4	173.8	-177	172.3	179.7	170.6	0	111.5	F168 N169 M170 D174 L175 E176 F182 W184	F168-K172 VanDerWaalsContact O-CB 3.27Å; F168-K172 WeakPolarHBondContact O-CB 3.15Å; F168-K172 PolarHBondContact O-N 3.16Å; N169-K172 WeakPolarHBondContact O-CB 2.87Å; N169-K172 PolarHBondContact O-N 3.4Å; M170-K172 VanDerWaalsContact C-N 3.32Å; M170-K172 PolarHBondContact O-N 2.94Å; K172-D174 VanDerWaalsContact C-N 3.31Å; K172-D174 PolarHBondContact O-N 3.49Å; K172-L175 PolarHBondContact O-N 3.23Å; K172-E176 WeakPolarHBondContact CE-OE1 3.42Å; K172-E176 HydrophobicContact CG-CG 4.47Å; K172-E176 WeakPolarHBondContact O-CB 3.48Å; K172-E176 WeakPolarHBondContact O-CG 3.26Å; K172-E176 PolarHBondContact O-N 3.07Å; K172-F182 HydrophobicContact CB-CB 4.45Å; K172-F182 HydrophobicContact CB-CD1 3.88Å; K172-F182 WeakPolarHBondContact CD-O 3.45Å; K172-F182 WeakPolarHBondContact CE-O 3.47Å; K172-F182 HydrophobicContact CG-CB 4.39Å; K172-W184 HydrophobicContact CB-CZ3 4.36Å; K172-W184 HydrophobicContact CD-CZ3 3.99Å
173	G	98.8	Very high	98.5	Very high	26 Å²	26	61.7 Å²	61.7	27%	0.268	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-35.6	177.9	0	0	0	0	0	113.3	N169 M170 L171 K177	N169-G173 PolarHBondContact O-N 3.43Å; M170-G173 PolarHBondContact O-N 3.46Å; L171-G173 PolarHBondContact O-N 2.91Å; G173-K177 WeakPolarHBondContact O-CG 3.39Å; G173-K177 PolarHBondContact O-N 3.45Å
174	D	98.6	Very high	98.5	Very high	72 Å²	72	60.6 Å²	60.6	39%	0.385	31%	0.305	S	S	.	.	H	α-helix	trans	-72.3	-37.7	175.9	-75.1	-17.7	0	0	0	112.9	M170 L171 K172 K177 H178	M170-D174 PolarHBondContact O-N 3.43Å; M170-D174 VanDerWaalsContact O-N 3.1Å; L171-D174 PolarHBondContact O-N 3.15Å; K172-D174 VanDerWaalsContact C-N 3.31Å; K172-D174 PolarHBondContact O-N 3.49Å; D174-K177 PolarHBondContact O-N 3.49Å; D174-K177 IonicContact OD1-NZ 2.73Å; D174-K177 PolarHBondContact OD1-NZ 2.9Å; D174-H178 PolarHBondContact O-ND1 2.86Å
175	L	98.7	Very high	98.5	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-67.8	-38.8	174.6	-74.6	169.8	0	0	0	112.3	C137 I141 I150 L171 K172 K177 H178 S179 V180 F182	C137-L175 HydrophobicContact CB-CD2 4.24Å; I141-L175 HydrophobicContact CD1-CD2 3.42Å; I141-L175 VanDerWaalsContact CD1-CD2 3.42Å; I141-L175 HydrophobicContact CG1-CD2 3.89Å; I150-L175 HydrophobicContact CD1-CD1 4.37Å; I150-L175 HydrophobicContact CD1-CD2 4.22Å; L171-L175 HydrophobicContact CD1-CD1 4.06Å; L171-L175 HydrophobicContact CD1-CG 4.2Å; L171-L175 HydrophobicContact CG-CD1 3.85Å; L171-L175 HydrophobicContact CG-CG 4.43Å; L171-L175 WeakPolarHBondContact O-CB 3.36Å; L171-L175 WeakPolarHBondContact O-CG 3.31Å; L171-L175 PolarHBondContact O-N 3.2Å; K172-L175 PolarHBondContact O-N 3.23Å; L175-K177 VanDerWaalsContact C-N 3.3Å; L175-K177 PolarHBondContact O-N 2.94Å; L175-H178 CarbonylContact O-C 3.51Å; L175-H178 WeakPolarHBondContact O-CA 3.41Å; L175-H178 WeakPolarHBondContact O-CB 3.36Å; L175-H178 PolarHBondContact O-N 2.76Å; L175-S179 PolarHBondContact O-N 2.93Å; L175-V180 CarbonylContact C-O 3.55Å; L175-V180 HydrophobicContact CB-CB 4.17Å; L175-V180 HydrophobicContact CB-CG1 4.49Å; L175-V180 HydrophobicContact CD2-CB 4.21Å; L175-V180 HydrophobicContact CD2-CG1 4.2Å; L175-V180 PolarHBondContact O-N 3.43Å; L175-F182 HydrophobicContact CB-CB 4.36Å; L175-F182 HydrophobicContact CD1-CB 3.55Å; L175-F182 HydrophobicContact CD1-CD1 4.17Å; L175-F182 HydrophobicContact CD1-CD2 4.45Å; L175-F182 HydrophobicContact CD1-CG 3.81Å
176	E	98.5	Very high	98.5	Very high	107 Å²	107	65.1 Å²	65.1	50%	0.5	33%	0.331	S	S	.	.	H	α-helix	trans	-61.3	-36.4	176.7	-79.1	175.9	-178.2	0	0	112.2	K172 H178 S179 V180	K172-E176 WeakPolarHBondContact CE-OE1 3.42Å; K172-E176 HydrophobicContact CG-CG 4.47Å; K172-E176 WeakPolarHBondContact O-CB 3.48Å; K172-E176 WeakPolarHBondContact O-CG 3.26Å; K172-E176 PolarHBondContact O-N 3.07Å; E176-H178 PolarHBondContact O-N 3.41Å; E176-H178 VanDerWaalsContact O-N 3.16Å; E176-S179 PolarHBondContact O-N 3.23Å; E176-V180 PolarHBondContact N-O 2.96Å
177	K	98.2	Very high	98.5	Very high	155 Å²	155	60.4 Å²	60.4	67%	0.674	31%	0.312	S	S	*	.	H	α-helix	trans	-60.1	-24.7	173	-66.5	166.1	-164.5	161.2	0	112.7	G173 D174 L175	G173-K177 WeakPolarHBondContact O-CG 3.39Å; G173-K177 PolarHBondContact O-N 3.45Å; D174-K177 PolarHBondContact O-N 3.49Å; D174-K177 IonicContact OD1-NZ 2.73Å; D174-K177 PolarHBondContact OD1-NZ 2.9Å; L175-K177 VanDerWaalsContact C-N 3.3Å; L175-K177 PolarHBondContact O-N 2.94Å
178	H	97.5	Very high	98.2	Very high	112 Å²	112	65 Å²	65	52%	0.519	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	12.8	175.9	-61.7	88.4	0	0	0	112.8	I141 D174 L175 E176 V180	I141-H178 HydrophobicContact CG2-CB 4.24Å; D174-H178 PolarHBondContact O-ND1 2.86Å; L175-H178 CarbonylContact O-C 3.51Å; L175-H178 WeakPolarHBondContact O-CA 3.41Å; L175-H178 WeakPolarHBondContact O-CB 3.36Å; L175-H178 PolarHBondContact O-N 2.76Å; E176-H178 PolarHBondContact O-N 3.41Å; E176-H178 VanDerWaalsContact O-N 3.16Å; H178-V180 VanDerWaalsContact C-N 3.25Å; H178-V180 HydrophobicContact CB-CG2 4.39Å; H178-V180 PolarHBondContact O-N 2.98Å
179	S	97.4	Very high	98	Very high	82 Å²	82	70.5 Å²	70.5	57%	0.573	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	35.4	-176.6	-52.1	0	0	0	0	113.5	L175 E176	L175-S179 PolarHBondContact O-N 2.93Å; E176-S179 PolarHBondContact O-N 3.23Å
180	V	98.6	Very high	97.8	Very high	8 Å²	8	67.5 Å²	67.5	5%	0.048	36%	0.357	C	S	.	.			trans	-112.1	123.6	173.3	-176.5	0	0	0	0	108.6	V147 I150 L175 E176 H178	V147-V180 WeakPolarHBondContact O-CG2 3.38Å; I150-V180 HydrophobicContact CD1-CG1 3.84Å; I150-V180 HydrophobicContact CG1-CG1 3.88Å; L175-V180 CarbonylContact C-O 3.55Å; L175-V180 HydrophobicContact CB-CB 4.17Å; L175-V180 HydrophobicContact CB-CG1 4.49Å; L175-V180 HydrophobicContact CD2-CB 4.21Å; L175-V180 HydrophobicContact CD2-CG1 4.2Å; L175-V180 PolarHBondContact O-N 3.43Å; E176-V180 PolarHBondContact N-O 2.96Å; H178-V180 VanDerWaalsContact C-N 3.25Å; H178-V180 HydrophobicContact CB-CG2 4.39Å; H178-V180 PolarHBondContact O-N 2.98Å
181	T	98.8	Very high	97.4	Very high	59 Å²	59	69 Å²	69	36%	0.362	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	121.2	173.1	-59.6	0	0	0	0	109.3	K148 N149 I150 E183	K148-T181 PolarHBondContact O-N 3.44Å; N149-T181 WeakPolarHBondContact CA-O 3.37Å; I150-T181 PolarHBondContact N-O 3.33Å; T181-E183 HydrophobicContact CG2-CG 4.12Å
182	F	98.8	Very high	97.1	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.7	174.1	175.1	-132	0	0	0	110.7	F133 I150 L152 F168 L171 K172 L175 W184	F133-F182 HydrophobicContact CE1-CD2 4.48Å; F133-F182 HydrophobicContact CE1-CE1 4.36Å; F133-F182 AromaticContact CE1-CE2 3.64Å; F133-F182 HydrophobicContact CE1-CE2 3.64Å; F133-F182 AromaticContact CE1-CZ 3.58Å; F133-F182 HydrophobicContact CE1-CZ 3.58Å; F133-F182 HydrophobicContact CZ-CD2 4.45Å; F133-F182 AromaticContact CZ-CE2 3.68Å; F133-F182 HydrophobicContact CZ-CE2 3.68Å; F133-F182 HydrophobicContact CZ-CZ 4.09Å; I150-F182 HydrophobicContact CB-CD2 4.26Å; I150-F182 HydrophobicContact CG2-CD2 4.12Å; I150-F182 WeakPolarHBondContact O-CA 3.21Å; L152-F182 HydrophobicContact CB-CE2 3.7Å; L152-F182 HydrophobicContact CB-CZ 4.18Å; L152-F182 HydrophobicContact CD2-CE2 4.37Å; L152-F182 HydrophobicContact CD2-CZ 4.05Å; F168-F182 HydrophobicContact CB-CE1 4.23Å; F168-F182 HydrophobicContact CG-CE1 4.5Å; L171-F182 HydrophobicContact CD2-CE1 4.29Å; L171-F182 HydrophobicContact CG-CD1 4.46Å; L171-F182 HydrophobicContact CG-CE1 4.46Å; K172-F182 HydrophobicContact CB-CB 4.45Å; K172-F182 HydrophobicContact CB-CD1 3.88Å; K172-F182 WeakPolarHBondContact CD-O 3.45Å; K172-F182 WeakPolarHBondContact CE-O 3.47Å; K172-F182 HydrophobicContact CG-CB 4.39Å; L175-F182 HydrophobicContact CB-CB 4.36Å; L175-F182 HydrophobicContact CD1-CB 3.55Å; L175-F182 HydrophobicContact CD1-CD1 4.17Å; L175-F182 HydrophobicContact CD1-CD2 4.45Å; L175-F182 HydrophobicContact CD1-CG 3.81Å; F182-W184 HydrophobicContact CD1-CE3 4.15Å; F182-W184 HydrophobicContact CD1-CZ3 4.37Å; F182-W184 AromaticContact CE1-CE3 3.71Å; F182-W184 HydrophobicContact CE1-CE3 3.71Å; F182-W184 HydrophobicContact CE1-CZ3 4.18Å; F182-W184 HydrophobicContact CE2-CB 4.49Å; F182-W184 HydrophobicContact CZ-CB 4.21Å; F182-W184 HydrophobicContact CZ-CE3 4.04Å
183	E	98.8	Very high	97	Very high	95 Å²	95	73.2 Å²	73.2	44%	0.444	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.5	176.1	-64.4	-177	146.2	0	0	109.1	I150 Y151 L152 T181	I150-E183 PolarHBondContact O-N 2.85Å; Y151-E183 CarbonylContact C-O 3.49Å; Y151-E183 WeakPolarHBondContact CA-O 3.45Å; Y151-E183 HydrophobicContact CD1-CB 4.19Å; Y151-E183 VanDerWaalsContact CE1-OE2 3.23Å; Y151-E183 WeakPolarHBondContact CE1-OE2 3.42Å; L152-E183 PolarHBondContact N-O 3.28Å; T181-E183 HydrophobicContact CG2-CG 4.12Å
184	W	98.6	Very high	96.9	Very high	52 Å²	52	73 Å²	73	20%	0.197	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.2	173.3	69.1	93.2	0	0	0	111.3	L152 I165 F168 K172 F182 F186	L152-W184 HydrophobicContact CB-CB 4.03Å; L152-W184 HydrophobicContact CD2-CB 4.38Å; L152-W184 HydrophobicContact CG-CB 4.4Å; L152-W184 CarbonylContact O-C 3.58Å; L152-W184 WeakPolarHBondContact O-CA 3.21Å; I165-W184 HydrophobicContact CG2-CZ2 4.44Å; F168-W184 HydrophobicContact CB-CD2 3.94Å; F168-W184 HydrophobicContact CB-CE3 3.87Å; F168-W184 HydrophobicContact CB-CH2 3.88Å; F168-W184 HydrophobicContact CB-CZ2 3.95Å; F168-W184 HydrophobicContact CB-CZ3 3.82Å; F168-W184 HydrophobicContact CD2-CB 4.44Å; F168-W184 AromaticContact CD2-CD1 3.69Å; F168-W184 AromaticContact CD2-CD2 3.81Å; F168-W184 HydrophobicContact CD2-CD2 3.81Å; F168-W184 AromaticContact CD2-CE2 3.85Å; F168-W184 HydrophobicContact CD2-CE3 4.49Å; F168-W184 AromaticContact CD2-CG 3.73Å; F168-W184 HydrophobicContact CD2-CG 3.73Å; F168-W184 AromaticContact CD2-NE1 3.75Å; F168-W184 HydrophobicContact CE2-CG 4.19Å; F168-W184 HydrophobicContact CG-CD2 4.23Å; F168-W184 HydrophobicContact CG-CE3 4.48Å; F168-W184 HydrophobicContact CG-CG 4.5Å; K172-W184 HydrophobicContact CB-CZ3 4.36Å; K172-W184 HydrophobicContact CD-CZ3 3.99Å; F182-W184 HydrophobicContact CD1-CE3 4.15Å; F182-W184 HydrophobicContact CD1-CZ3 4.37Å; F182-W184 AromaticContact CE1-CE3 3.71Å; F182-W184 HydrophobicContact CE1-CE3 3.71Å; F182-W184 HydrophobicContact CE1-CZ3 4.18Å; F182-W184 HydrophobicContact CE2-CB 4.49Å; F182-W184 HydrophobicContact CZ-CB 4.21Å; F182-W184 HydrophobicContact CZ-CE3 4.04Å; W184-F186 AromaticContact CD1-CZ 3.82Å; W184-F186 AromaticContact NE1-CE2 3.81Å; W184-F186 AromaticContact NE1-CZ 3.76Å
185	T	98.5	Very high	96.9	Very high	90 Å²	90	69.8 Å²	69.8	55%	0.552	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.4	174	-63.3	0	0	0	0	108.8	L152 T153 T154	L152-T185 PolarHBondContact O-N 3.18Å; T153-T185 WeakPolarHBondContact CA-O 3.31Å; T154-T185 PolarHBondContact N-O 3.43Å; T154-T185 VanDerWaalsContact N-O 3.08Å
186	F	98.5	Very high	96.9	Very high	61 Å²	61	73.5 Å²	73.5	27%	0.268	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.1	173.9	-64.1	-56.2	0	0	0	111.1	T154 E156 I165 F168 W184	T154-F186 HydrophobicContact CG2-CD1 3.94Å; T154-F186 HydrophobicContact CG2-CE1 3.91Å; T154-F186 CarbonylContact O-C 3.6Å; T154-F186 VanDerWaalsContact O-CA 3.25Å; T154-F186 WeakPolarHBondContact O-CA 3.47Å; E156-F186 HydrophobicContact CB-CD1 4.1Å; E156-F186 HydrophobicContact CB-CE1 4.46Å; E156-F186 HydrophobicContact CB-CG 4.16Å; I165-F186 HydrophobicContact CD1-CE2 4.25Å; I165-F186 HydrophobicContact CG1-CE2 4.06Å; I165-F186 HydrophobicContact CG1-CZ 4.06Å; F168-F186 HydrophobicContact CD2-CZ 4.34Å; F168-F186 AromaticContact CE2-CE1 3.9Å; F168-F186 HydrophobicContact CE2-CE1 3.9Å; F168-F186 HydrophobicContact CE2-CZ 4.13Å; W184-F186 AromaticContact CD1-CZ 3.82Å; W184-F186 AromaticContact NE1-CE2 3.81Å; W184-F186 AromaticContact NE1-CZ 3.76Å
187	S	97.5	Very high	96.8	Very high	31 Å²	31	68.6 Å²	68.6	22%	0.217	35%	0.348	C	S	.	.			trans	-142.4	119.8	176.4	179.3	0	0	0	0	110.7	T154 T189 L190	T154-S187 PolarHBondContact O-N 3.11Å; S187-T189 VanDerWaalsContact C-N 3.3Å; S187-T189 PolarHBondContact OG-OG1 3.27Å; S187-L190 PolarHBondContact OG-N 3.18Å
188	D	92.6	Very high	96.7	Very high	143 Å²	143	64.6 Å²	64.6	77%	0.765	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.5	176.7	-64.3	-36.5	0	0	0	113
189	T	94.5	Very high	96.4	Very high	115 Å²	115	60.8 Å²	60.8	71%	0.706	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	1.7	-178.4	62.7	0	0	0	0	112.9	S187 H191	S187-T189 VanDerWaalsContact C-N 3.3Å; S187-T189 PolarHBondContact OG-OG1 3.27Å; T189-H191 PolarHBondContact O-CD2 3.32Å; T189-H191 PolarHBondContact O-N 3.36Å
190	L	94.3	Very high	96.1	Very high	20 Å²	20	57.4 Å²	57.4	11%	0.105	30%	0.298	C	S	.	.			trans	-72.8	126.9	178.6	-179.5	66.9	0	0	0	110.4	E120 P122 T153 S187	E120-L190 HydrophobicContact CB-CD1 4.16Å; E120-L190 HydrophobicContact CB-CD2 4.32Å; P122-L190 HydrophobicContact CB-CB 4.22Å; P122-L190 HydrophobicContact CB-CD2 4.11Å; P122-L190 HydrophobicContact CB-CG 4.05Å; P122-L190 VanDerWaalsContact CB-O 3.25Å; P122-L190 WeakPolarHBondContact CB-O 3.32Å; P122-L190 HydrophobicContact CG-CG 4.36Å; T153-L190 HydrophobicContact CG2-CD2 4.08Å; T153-L190 WeakPolarHBondContact O-CD2 3.49Å; S187-L190 PolarHBondContact OG-N 3.18Å
191	H	90.9	Very high	95.8	Very high	147 Å²	147	58.6 Å²	58.6	68%	0.681	30%	0.302	S	S	*	.			trans	-125.4	-24.4	174.7	-65.3	-60.3	0	0	0	113.1	T189	T189-H191 PolarHBondContact O-CD2 3.32Å; T189-H191 PolarHBondContact O-N 3.36Å
192	D	92.6	Very high	95.7	Very high	96 Å²	96	56.1 Å²	56.1	51%	0.513	29%	0.286	S	S	.	.			trans	-73.8	152.1	-178.1	-71.9	-32.2	0	0	0	112.2	P122	P122-D192 VanDerWaalsContact CD-O 3.28Å; P122-D192 WeakPolarHBondContact CD-O 3.39Å
193	R	97.2	Very high	95.6	Very high	65 Å²	65	56.1 Å²	56.1	25%	0.245	29%	0.286	C	S	.	.			trans	-128	97.1	178.6	-65.1	-176.9	-156.4	171.3	4.7	108.8	E120 Y123 K204 I205 G206 R207 G208	E120-R193 CarbonylContact O-C 3.54Å; E120-R193 VanDerWaalsContact O-CA 3.24Å; E120-R193 WeakPolarHBondContact O-CA 3.37Å; Y123-R193 VanDerWaalsContact CE2-CZ 3.48Å; R193-K204 WeakPolarHBondContact O-CA 3.49Å; R193-I205 WeakPolarHBondContact CB-O 3.26Å; R193-I205 PolarHBondContact O-N 3.5Å; R193-G206 PolarHBondContact NH1-O 2.85Å; R193-R207 PolarHBondContact NH1-O 3.44Å; R193-G208 VanDerWaalsContact CD-N 3.29Å
194	E	96.6	Very high	95.5	Very high	23 Å²	23	55.6 Å²	55.6	11%	0.107	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	141.3	-168.4	-174	175.1	117.3	0	0	111.6	E120 R196 I202 V203 K204	E120-E194 PolarHBondContact N-O 2.81Å; E120-E194 PolarHBondContact O-N 3.45Å; E194-R196 HydrophobicContact CG-CG 4.03Å; E194-R196 WeakPolarHBondContact OE1-CD 3.35Å; E194-R196 WeakPolarHBondContact OE1-CG 3.45Å; E194-I202 HydrophobicContact CG-CG2 3.43Å; E194-I202 VanDerWaalsContact CG-CG2 3.43Å; E194-I202 WeakPolarHBondContact OE1-CG2 3.38Å; E194-I202 WeakPolarHBondContact OE2-CG2 3.41Å; E194-V203 CarbonylContact C-O 3.44Å; E194-V203 WeakPolarHBondContact CA-O 3.33Å; E194-K204 HydrophobicContact CB-CG 4.14Å; E194-K204 HydrophobicContact CG-CG 3.95Å; E194-K204 WeakPolarHBondContact OE2-CE 3.22Å; E194-K204 WeakPolarHBondContact OE2-CG 3.27Å; E194-K204 IonicContact OE2-NZ 3.81Å
195	I	98.4	Very high	95.4	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.2	169.4	-57.6	-178.6	0	0	0	108.2	F105 V117 W118 V119 F136 F197 V203 I205 L209	F105-I195 HydrophobicContact CD1-CD1 4.25Å; F105-I195 HydrophobicContact CE1-CD1 3.7Å; F105-I195 HydrophobicContact CE2-CD1 4.36Å; F105-I195 HydrophobicContact CZ-CD1 3.77Å; V117-I195 HydrophobicContact CG1-CG2 3.89Å; W118-I195 CarbonylContact O-C 3.58Å; W118-I195 WeakPolarHBondContact O-CA 3.46Å; V119-I195 HydrophobicContact CG1-CG1 4.26Å; V119-I195 HydrophobicContact CG2-CG1 4.23Å; V119-I195 HydrophobicContact CG2-CG2 4.31Å; F136-I195 HydrophobicContact CE1-CD1 4.2Å; F136-I195 HydrophobicContact CE2-CD1 3.96Å; F136-I195 HydrophobicContact CZ-CD1 3.77Å; F136-I195 HydrophobicContact CZ-CG2 3.9Å; I195-F197 HydrophobicContact CG2-CE1 4.33Å; I195-F197 HydrophobicContact CG2-CE2 3.9Å; I195-F197 HydrophobicContact CG2-CZ 3.72Å; I195-V203 PolarHBondContact N-O 3.32Å; I195-V203 PolarHBondContact O-N 3.1Å; I195-I205 HydrophobicContact CD1-CD1 4.1Å; I195-I205 HydrophobicContact CG1-CD1 4.41Å; I195-L209 HydrophobicContact CD1-CD2 3.91Å; I195-L209 HydrophobicContact CD1-CG 4.49Å
196	R	97.6	Very high	95.2	Very high	80 Å²	80	51.7 Å²	51.7	30%	0.302	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.3	179	-63.5	175.7	37.2	-112.8	-12.5	110.8	V117 W118 E194 I202	V117-R196 CarbonylContact C-O 3.21Å; V117-R196 WeakPolarHBondContact CA-O 3.25Å; W118-R196 HydrophobicContact CB-CB 4.26Å; W118-R196 HydrophobicContact CE3-CB 4.17Å; W118-R196 PolarHBondContact N-O 3.21Å; W118-R196 PolarHBondContact O-N 2.92Å; E194-R196 HydrophobicContact CG-CG 4.03Å; E194-R196 WeakPolarHBondContact OE1-CD 3.35Å; E194-R196 WeakPolarHBondContact OE1-CG 3.45Å; R196-I202 HydrophobicContact CG-CG1 4.14Å; R196-I202 HydrophobicContact CG-CG2 4.1Å
197	F	97.2	Very high	95.1	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.3	173.6	-54.2	-89.5	0	0	0	109	F108 L109 V114 V117 I195 S199 G200 W201 V203	F108-F197 HydrophobicContact CB-CD1 4.27Å; F108-F197 HydrophobicContact CB-CD2 3.97Å; F108-F197 HydrophobicContact CB-CE1 4.14Å; F108-F197 HydrophobicContact CB-CE2 3.84Å; F108-F197 HydrophobicContact CB-CG 4.2Å; F108-F197 HydrophobicContact CB-CZ 3.93Å; F108-F197 AromaticContact CD2-CE2 3.8Å; F108-F197 HydrophobicContact CD2-CE2 3.8Å; F108-F197 HydrophobicContact CD2-CZ 4.03Å; F108-F197 HydrophobicContact CG-CD2 4.26Å; F108-F197 AromaticContact CG-CE2 3.91Å; F108-F197 HydrophobicContact CG-CE2 3.91Å; F108-F197 HydrophobicContact CG-CZ 4.29Å; L109-F197 HydrophobicContact CD2-CD1 3.99Å; L109-F197 HydrophobicContact CD2-CE1 3.86Å; L109-F197 HydrophobicContact CG-CE1 4.08Å; V114-F197 HydrophobicContact CG1-CB 4.32Å; V114-F197 HydrophobicContact CG1-CD1 4.06Å; V114-F197 HydrophobicContact CG2-CB 4.16Å; V114-F197 HydrophobicContact CG2-CD1 4.33Å; V117-F197 HydrophobicContact CG1-CD1 4.41Å; V117-F197 HydrophobicContact CG1-CE1 4.27Å; V117-F197 HydrophobicContact CG2-CD1 3.91Å; V117-F197 HydrophobicContact CG2-CE1 4.18Å; I195-F197 HydrophobicContact CG2-CE1 4.33Å; I195-F197 HydrophobicContact CG2-CE2 3.9Å; I195-F197 HydrophobicContact CG2-CZ 3.72Å; F197-S199 WeakPolarHBondContact CB-OG 3.47Å; F197-S199 PolarHBondContact O-N 3.48Å; F197-G200 PolarHBondContact O-N 3.28Å; F197-W201 HydrophobicContact CB-CB 4.42Å; F197-W201 HydrophobicContact CD2-CB 3.95Å; F197-W201 PolarHBondContact N-O 3.11Å; F197-V203 HydrophobicContact CE2-CG2 3.89Å
198	D	95.1	Very high	95	Very high	70 Å²	70	52 Å²	52	37%	0.374	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.7	177.1	61.4	-13.6	0	0	0	114	V114 G115 K116 W118 G200	V114-D198 VanDerWaalsContact CA-OD1 3.28Å; V114-D198 WeakPolarHBondContact CA-OD1 3.29Å; V114-D198 WeakPolarHBondContact CG1-OD1 3.14Å; G115-D198 VanDerWaalsContact CA-OD2 3.32Å; G115-D198 WeakPolarHBondContact CA-OD2 3.46Å; G115-D198 PolarHBondContact N-OD1 3.11Å; G115-D198 PolarHBondContact N-OD2 2.95Å; G115-D198 VanDerWaalsContact N-OD2 3.08Å; K116-D198 HydrophobicContact CB-CB 4.11Å; K116-D198 PolarHBondContact N-OD1 2.97Å; K116-D198 PolarHBondContact N-OD2 3.47Å; K116-D198 PolarHBondContact O-N 2.97Å; K116-D198 VanDerWaalsContact O-N 3.08Å; W118-D198 HydrophobicContact CH2-CB 3.93Å; W118-D198 HydrophobicContact CZ3-CB 3.79Å; D198-G200 PolarHBondContact O-N 3.49Å
199	S	91.4	Very high	95.2	Very high	33 Å²	33	45.3 Å²	45.3	23%	0.231	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.9	163.1	56.8	0	0	0	0	113.3	F197 H241	F197-S199 WeakPolarHBondContact CB-OG 3.47Å; F197-S199 PolarHBondContact O-N 3.48Å; S199-H241 PolarHBondContact O-NE2 3.43Å
200	G	90.9	Very high	95.2	Very high	10 Å²	10	41.8 Å²	41.8	10%	0.103	21%	0.211	C	C	.	.	S	Bend	trans	99.1	-6.9	177.8	0	0	0	0	0	113.9	F197 D198 H241 S242	F197-G200 PolarHBondContact O-N 3.28Å; D198-G200 PolarHBondContact O-N 3.49Å; G200-H241 VanDerWaalsContact C-CD2 3.47Å; G200-H241 CarbonylContact O-C 3.52Å; G200-H241 WeakPolarHBondContact O-CA 3.32Å; G200-H241 PolarHBondContact O-CD2 3.44Å; G200-S242 WeakPolarHBondContact CA-OG 3.42Å; G200-S242 WeakPolarHBondContact O-CB 3.48Å; G200-S242 PolarHBondContact O-N 3.37Å; G200-S242 PolarHBondContact O-OG 3.43Å
201	W	94	Very high	95.4	Very high	34 Å²	34	40.9 Å²	40.9	13%	0.129	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.3	174	-69.8	109.2	0	0	0	111.9	T27 L77 Y86 F108 F197 I239 H241	T27-W201 HydrophobicContact CG2-CE3 4.48Å; T27-W201 HydrophobicContact CG2-CH2 3.64Å; T27-W201 HydrophobicContact CG2-CZ2 4.09Å; T27-W201 HydrophobicContact CG2-CZ3 3.86Å; L77-W201 HydrophobicContact CD2-CH2 4.26Å; Y86-W201 AromaticContact CD1-CH2 3.7Å; Y86-W201 HydrophobicContact CD1-CH2 3.7Å; Y86-W201 AromaticContact CD1-CZ3 3.47Å; Y86-W201 HydrophobicContact CD1-CZ3 3.47Å; Y86-W201 VanDerWaalsContact CD1-CZ3 3.47Å; Y86-W201 AromaticContact CE1-CH2 3.75Å; Y86-W201 HydrophobicContact CE1-CH2 3.75Å; Y86-W201 AromaticContact CE1-CZ3 3.56Å; Y86-W201 HydrophobicContact CE1-CZ3 3.56Å; Y86-W201 HydrophobicContact CG-CH2 4.44Å; F108-W201 HydrophobicContact CD1-CB 3.83Å; F108-W201 HydrophobicContact CD1-CD2 4.02Å; F108-W201 AromaticContact CD1-CG 3.68Å; F108-W201 HydrophobicContact CD1-CG 3.68Å; F108-W201 HydrophobicContact CE1-CB 4.34Å; F108-W201 HydrophobicContact CE1-CD2 4.12Å; F108-W201 HydrophobicContact CE1-CE3 4.17Å; F108-W201 HydrophobicContact CE1-CG 4.19Å; F108-W201 HydrophobicContact CG-CB 4.44Å; F197-W201 HydrophobicContact CB-CB 4.42Å; F197-W201 HydrophobicContact CD2-CB 3.95Å; F197-W201 PolarHBondContact N-O 3.11Å; W201-I239 HydrophobicContact CE3-CG2 4.03Å; W201-I239 HydrophobicContact CZ3-CG2 4.16Å; W201-H241 HydrophobicContact CE3-CB 4.43Å; W201-H241 HydrophobicContact CZ3-CB 4.39Å
202	I	95.6	Very high	95.6	Very high	7 Å²	7	34 Å²	34	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.2	179.6	-54.3	-177.3	0	0	0	108.2	E194 R196 I239 F240 V245	E194-I202 HydrophobicContact CG-CG2 3.43Å; E194-I202 VanDerWaalsContact CG-CG2 3.43Å; E194-I202 WeakPolarHBondContact OE1-CG2 3.38Å; E194-I202 WeakPolarHBondContact OE2-CG2 3.41Å; R196-I202 HydrophobicContact CG-CG1 4.14Å; R196-I202 HydrophobicContact CG-CG2 4.1Å; I202-I239 WeakPolarHBondContact O-CA 3.29Å; I202-F240 HydrophobicContact CB-CD2 3.93Å; I202-F240 HydrophobicContact CB-CE1 4.25Å; I202-F240 HydrophobicContact CB-CE2 3.58Å; I202-F240 HydrophobicContact CB-CG 4.4Å; I202-F240 HydrophobicContact CB-CZ 3.74Å; I202-F240 HydrophobicContact CD1-CD2 4.21Å; I202-F240 HydrophobicContact CD1-CE2 3.65Å; I202-F240 HydrophobicContact CD1-CZ 4.4Å; I202-F240 HydrophobicContact CG1-CD2 4.48Å; I202-F240 HydrophobicContact CG1-CE2 4.13Å; I202-F240 HydrophobicContact CG2-CD2 4.36Å; I202-F240 HydrophobicContact CG2-CE1 3.86Å; I202-F240 HydrophobicContact CG2-CE2 3.56Å; I202-F240 HydrophobicContact CG2-CZ 3.24Å; I202-F240 PolarHBondContact N-O 2.85Å; I202-F240 PolarHBondContact O-N 2.63Å; I202-V245 HydrophobicContact CD1-CG2 4.17Å
203	V	97.3	Very high	95.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	104.8	-178.9	-172.8	0	0	0	0	108.7	F105 F108 E194 I195 F197 I205 I237 D238 I239	F105-V203 HydrophobicContact CD1-CG1 4.37Å; F105-V203 HydrophobicContact CE1-CB 4.4Å; F105-V203 HydrophobicContact CE1-CG1 3.85Å; F108-V203 HydrophobicContact CD2-CG2 3.95Å; F108-V203 HydrophobicContact CE1-CG2 4.42Å; F108-V203 HydrophobicContact CE2-CG2 3.42Å; F108-V203 VanDerWaalsContact CE2-CG2 3.42Å; F108-V203 HydrophobicContact CZ-CG2 3.69Å; E194-V203 CarbonylContact C-O 3.44Å; E194-V203 WeakPolarHBondContact CA-O 3.33Å; I195-V203 PolarHBondContact N-O 3.32Å; I195-V203 PolarHBondContact O-N 3.1Å; F197-V203 HydrophobicContact CE2-CG2 3.89Å; V203-I205 HydrophobicContact CG1-CD1 4.5Å; V203-I205 HydrophobicContact CG1-CG1 4.08Å; V203-I237 HydrophobicContact CG1-CG2 3.4Å; V203-I237 VanDerWaalsContact CG1-CG2 3.4Å; V203-D238 WeakPolarHBondContact CA-O 3.49Å; V203-I239 HydrophobicContact CG1-CG1 4.25Å; V203-I239 HydrophobicContact CG2-CG1 4.36Å
204	K	97.1	Very high	95.5	Very high	84 Å²	84	38.7 Å²	38.7	37%	0.365	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.1	172.9	-76.6	-174.8	174.2	-174.6	0	109.8	R193 E194 I237 D238 F240	R193-K204 WeakPolarHBondContact O-CA 3.49Å; E194-K204 HydrophobicContact CB-CG 4.14Å; E194-K204 HydrophobicContact CG-CG 3.95Å; E194-K204 WeakPolarHBondContact OE2-CE 3.22Å; E194-K204 WeakPolarHBondContact OE2-CG 3.27Å; E194-K204 IonicContact OE2-NZ 3.81Å; K204-I237 CarbonylContact O-C 3.59Å; K204-I237 WeakPolarHBondContact O-CA 3.32Å; K204-D238 HydrophobicContact CB-CB 4.33Å; K204-D238 PolarHBondContact N-O 2.96Å; K204-D238 PolarHBondContact O-N 3.47Å; K204-F240 HydrophobicContact CB-CE1 4.19Å; K204-F240 HydrophobicContact CD-CE1 3.75Å; K204-F240 HydrophobicContact CD-CZ 3.83Å; K204-F240 HydrophobicContact CG-CE1 3.72Å; K204-F240 HydrophobicContact CG-CZ 3.95Å
205	I	96.6	Very high	95.1	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	116.2	-175.5	-49.8	147.7	0	0	0	107.8	F105 R193 I195 V203 R207 G208 Y211 T235 I237	F105-I205 HydrophobicContact CE1-CD1 3.77Å; F105-I205 HydrophobicContact CZ-CD1 3.52Å; F105-I205 HydrophobicContact CZ-CG1 4.49Å; R193-I205 WeakPolarHBondContact CB-O 3.26Å; R193-I205 PolarHBondContact O-N 3.5Å; I195-I205 HydrophobicContact CD1-CD1 4.1Å; I195-I205 HydrophobicContact CG1-CD1 4.41Å; V203-I205 HydrophobicContact CG1-CD1 4.5Å; V203-I205 HydrophobicContact CG1-CG1 4.08Å; I205-R207 PolarHBondContact O-N 3.34Å; I205-G208 WeakPolarHBondContact CG2-O 3.32Å; I205-G208 PolarHBondContact O-N 2.9Å; I205-Y211 HydrophobicContact CG2-CD1 4.17Å; I205-T235 HydrophobicContact CG2-CG2 4.38Å; I205-I237 HydrophobicContact CG1-CG1 4.39Å; I205-I237 HydrophobicContact CG1-CG2 4.26Å; I205-I237 HydrophobicContact CG2-CG1 4.12Å
206	G	94	Very high	94.5	Very high	55 Å²	55	47 Å²	47	57%	0.567	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.3	-176.7	0	0	0	0	0	113.1	R193 T236	R193-G206 PolarHBondContact NH1-O 2.85Å; G206-T236 PolarHBondContact N-O 3.45Å; G206-T236 VanDerWaalsContact N-O 3.11Å
207	R	94.9	Very high	94	Very high	96 Å²	96	48.1 Å²	48.1	36%	0.362	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-6.9	176.6	-72.9	-169.4	77.4	87.6	4.5	115.3	R193 I205 D210 A234 T235	R193-R207 PolarHBondContact NH1-O 3.44Å; I205-R207 PolarHBondContact O-N 3.34Å; R207-D210 PolarHBondContact NE-O 3.22Å; R207-A234 WeakPolarHBondContact CD-O 3.5Å; R207-T235 WeakPolarHBondContact CG-OG1 3.32Å; R207-T235 PolarHBondContact N-OG1 2.87Å; R207-T235 VanDerWaalsContact N-OG1 3.11Å
208	G	95.9	Very high	93.3	Very high	2 Å²	2	56.4 Å²	56.4	2%	0.021	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	66.9	-148.6	-169.6	0	0	0	0	0	110.8	D121 R193 I205 D210 Y211	D121-G208 VanDerWaalsContact OD2-CA 3.26Å; D121-G208 WeakPolarHBondContact OD2-CA 3.25Å; R193-G208 VanDerWaalsContact CD-N 3.29Å; I205-G208 WeakPolarHBondContact CG2-O 3.32Å; I205-G208 PolarHBondContact O-N 2.9Å; G208-D210 PolarHBondContact O-N 2.86Å; G208-Y211 WeakPolarHBondContact O-CD1 3.33Å
209	L	97	Very high	92.8	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-74.9	-8.4	176.9	-68.7	176.2	0	0	0	113.3	Y101 F105 D121 I124 F133 F136 I195 Y211	Y101-L209 HydrophobicContact CD1-CD2 4.22Å; Y101-L209 HydrophobicContact CE1-CD2 3.93Å; Y101-L209 PolarHBondContact OH-O 2.68Å; F105-L209 HydrophobicContact CE2-CD2 3.79Å; F105-L209 HydrophobicContact CZ-CD2 3.98Å; D121-L209 PolarHBondContact OD2-N 3.07Å; I124-L209 HydrophobicContact CD1-CB 4.46Å; I124-L209 HydrophobicContact CD1-CD1 4.43Å; F133-L209 HydrophobicContact CB-CD1 4.31Å; F133-L209 HydrophobicContact CD2-CD1 3.88Å; F136-L209 HydrophobicContact CB-CD1 4.02Å; F136-L209 HydrophobicContact CB-CD2 4.32Å; F136-L209 HydrophobicContact CD1-CD1 4.23Å; F136-L209 HydrophobicContact CD2-CD2 4.32Å; F136-L209 HydrophobicContact CG-CD1 4.17Å; F136-L209 HydrophobicContact CG-CD2 4.24Å; I195-L209 HydrophobicContact CD1-CD2 3.91Å; I195-L209 HydrophobicContact CD1-CG 4.49Å; L209-Y211 VanDerWaalsContact C-N 3.32Å; L209-Y211 PolarHBondContact O-N 3.18Å
210	D	95.6	Very high	92.8	Very high	42 Å²	42	65.1 Å²	65.1	23%	0.225	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-90.1	26.6	-175.9	-161	31.2	0	0	0	114.7	Y128 N132 R207 G208	Y128-D210 VanDerWaalsContact CE2-OD1 3.27Å; Y128-D210 WeakPolarHBondContact CE2-OD1 3.33Å; Y128-D210 PolarHBondContact OH-OD2 3.46Å; N132-D210 PolarHBondContact ND2-OD1 3.44Å; R207-D210 PolarHBondContact NE-O 3.22Å; G208-D210 PolarHBondContact O-N 2.86Å
211	Y	97	Very high	92.8	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-81	-27.3	172.7	70.9	-86.8	0	0	0	112.7	I92 Y99 Y101 V104 I205 G208 L209 C232 S233 T235	I92-Y211 HydrophobicContact CD1-CD2 3.69Å; I92-Y211 HydrophobicContact CD1-CE2 3.59Å; Y99-Y211 VanDerWaalsContact O-CE2 3.24Å; Y99-Y211 WeakPolarHBondContact O-CE2 3.33Å; Y99-Y211 PolarHBondContact O-OH 3.02Å; Y101-Y211 HydrophobicContact CD1-CE1 4.15Å; Y101-Y211 WeakPolarHBondContact CD1-OH 3.5Å; Y101-Y211 AromaticContact CE1-CE1 3.77Å; Y101-Y211 HydrophobicContact CE1-CE1 3.77Å; V104-Y211 WeakPolarHBondContact CG2-OH 3.41Å; I205-Y211 HydrophobicContact CG2-CD1 4.17Å; G208-Y211 WeakPolarHBondContact O-CD1 3.33Å; L209-Y211 VanDerWaalsContact C-N 3.32Å; L209-Y211 PolarHBondContact O-N 3.18Å; Y211-C232 HydrophobicContact CD2-CB 4.2Å; Y211-C232 CarbonylContact O-C 3.5Å; Y211-C232 WeakPolarHBondContact O-CA 3.39Å; Y211-S233 PolarHBondContact O-N 3.31Å; Y211-T235 HydrophobicContact CD2-CG2 4.4Å; Y211-T235 HydrophobicContact CG-CG2 4.04Å
212	I	96.4	Very high	92.7	Very high	2 Å²	2	71.6 Å²	71.6	1%	0.01	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-83	122.9	178.6	-54.8	-177.9	0	0	0	109.1	Y99 Y101 Y227 R230	Y99-I212 WeakPolarHBondContact O-CD1 3.39Å; Y101-I212 HydrophobicContact CD1-CD1 3.72Å; Y101-I212 HydrophobicContact CE1-CD1 3.46Å; Y101-I212 VanDerWaalsContact CE1-CD1 3.46Å; Y101-I212 HydrophobicContact CE1-CG1 4.05Å; Y101-I212 HydrophobicContact CG-CD1 4.43Å; I212-Y227 HydrophobicContact CB-CD1 4.43Å; I212-Y227 HydrophobicContact CD1-CD1 3.97Å; I212-Y227 HydrophobicContact CG2-CD1 3.97Å; I212-R230 HydrophobicContact CG2-CB 3.42Å; I212-R230 VanDerWaalsContact CG2-CB 3.42Å; I212-R230 HydrophobicContact CG2-CG 4.14Å
213	R	94.5	Very high	92.5	Very high	86 Å²	86	71.4 Å²	71.4	33%	0.325	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-72.6	155.5	-177.7	-64	170.8	172.2	-164	-12.5	111	E94 R230 T231 S233	E94-R213 IonicContact OE1-CZ 3.84Å; E94-R213 IonicContact OE1-NH1 3.07Å; E94-R213 PolarHBondContact OE1-NH1 2.89Å; E94-R213 IonicContact OE1-NH2 3.89Å; E94-R213 PolarHBondContact OE1-NH2 3.05Å; E94-R213 IonicContact OE2-CZ 3.48Å; E94-R213 IonicContact OE2-NH2 2.77Å; E94-R213 PolarHBondContact OE2-NH2 3.45Å; E94-R213 VanDerWaalsContact OE2-NH2 3.07Å; R213-R230 WeakPolarHBondContact O-CD 3.3Å; R213-T231 WeakPolarHBondContact CB-O 3.44Å; R213-T231 WeakPolarHBondContact CD-OG1 3.34Å; R213-T231 VanDerWaalsContact CG-O 3.24Å; R213-T231 WeakPolarHBondContact CG-O 3.45Å; R213-T231 PolarHBondContact N-O 3.28Å; R213-S233 PolarHBondContact NE-OG 2.76Å; R213-S233 PolarHBondContact NH2-OG 3.42Å
214	R	91.8	Very high	92.2	Very high	174 Å²	174	72.2 Å²	72.2	66%	0.657	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-57.5	144.8	168.4	-70	-172.8	-72.6	-130.9	-0.1	110.4
215	P	89.9	Confident	91.8	Very high	32 Å²	32	75.7 Å²	75.7	21%	0.208	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-65.7	151.3	177.8	29.7	-34.3	0	0	0	110.5	H217	P215-H217 WeakPolarHBondContact CB-O 3.49Å; P215-H217 WeakPolarHBondContact CG-O 3.32Å; P215-H217 PolarHBondContact O-N 3.13Å
216	E	85.7	Confident	91.6	Very high	170 Å²	170	79 Å²	79	79%	0.794	40%	0.398	S	S	*	.	S	Bend	trans	-64.4	-25.7	176.8	-63.7	-175.5	172.8	0	0	112.3
217	H	86.3	Confident	91.7	Very high	103 Å²	103	76.8 Å²	76.8	48%	0.477	37%	0.373	S	S	.	.			trans	-123	144.3	-179.6	-54.6	-40.1	0	0	0	110.3	P215 C220 V224	P215-H217 WeakPolarHBondContact CB-O 3.49Å; P215-H217 WeakPolarHBondContact CG-O 3.32Å; P215-H217 PolarHBondContact O-N 3.13Å; H217-C220 WeakPolarHBondContact CB-O 3.23Å; H217-V224 WeakPolarHBondContact O-CG2 3.06Å
218	K	82.6	Confident	91.7	Very high	177 Å²	177	74.8 Å²	74.8	77%	0.77	37%	0.369	S	S	*	.	S	Bend	trans	-91	-27.1	-174.8	-67.9	-173.8	178.9	-176.1	0	114.8
219	F	85.2	Confident	91.6	Very high	186 Å²	186	79.6 Å²	79.6	82%	0.816	39%	0.39	S	S	*	.	S	Bend	trans	-124.9	-33.9	-168.1	-60.4	-69.9	0	0	0	114
220	C	90.6	Very high	91.5	Very high	100 Å²	100	79.9 Å²	79.9	68%	0.676	39%	0.391	S	S	*	.	S	Bend	trans	-143.4	147.7	178.9	63	0	0	0	0	110.4	H217	H217-C220 WeakPolarHBondContact CB-O 3.23Å
221	G	90	Very high	91.6	Very high	48 Å²	48	80.2 Å²	80.2	50%	0.495	39%	0.394	S	S	.	.	S	Bend	trans	124	167.7	-176.4	0	0	0	0	0	112.7	V224	G221-V224 WeakPolarHBondContact O-CG2 3.33Å
222	L	92.3	Very high	91.6	Very high	133 Å²	133	80.2 Å²	80.2	70%	0.696	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	143.6	173.7	-62.2	179.6	0	0	0	109.7	V224 F229	L222-V224 VanDerWaalsContact C-N 3.34Å; L222-F229 HydrophobicContact CB-CB 4.02Å; L222-F229 HydrophobicContact CB-CD1 4.15Å; L222-F229 HydrophobicContact CB-CD2 4.49Å; L222-F229 HydrophobicContact CB-CG 3.97Å; L222-F229 HydrophobicContact CD1-CD1 3.99Å; L222-F229 HydrophobicContact CD1-CE1 4.09Å; L222-F229 HydrophobicContact CD2-CD1 4.44Å; L222-F229 HydrophobicContact CD2-CD2 4.44Å; L222-F229 HydrophobicContact CD2-CE1 4.31Å; L222-F229 HydrophobicContact CD2-CE2 4.3Å; L222-F229 HydrophobicContact CD2-CZ 4.23Å; L222-F229 HydrophobicContact CG-CD1 4.43Å
223	G	91.5	Very high	91.6	Very high	2 Å²	2	80.8 Å²	80.8	2%	0.021	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-13.6	-176.5	0	0	0	0	0	114.6	H225 D226 R230	G223-H225 PolarHBondContact O-N 3.42Å; G223-D226 WeakPolarHBondContact CA-O 3.47Å; G223-R230 PolarHBondContact O-NE 3.35Å; G223-R230 PolarHBondContact O-NH2 3.47Å
224	V	91.1	Very high	91.8	Very high	17 Å²	17	79 Å²	79	10%	0.103	40%	0.402	C	S	.	.	S	Bend	trans	-61.7	-48.7	177.4	178.8	0	0	0	0	110.6	H217 G221 L222 R230	H217-V224 WeakPolarHBondContact O-CG2 3.06Å; G221-V224 WeakPolarHBondContact O-CG2 3.33Å; L222-V224 VanDerWaalsContact C-N 3.34Å; V224-R230 PolarHBondContact O-NH2 3.13Å
225	H	89.6	Confident	92.1	Very high	157 Å²	157	71.3 Å²	71.3	73%	0.727	38%	0.375	S	S	*	.	S	Bend	trans	-111.6	-30.7	-176.2	-57.1	-61.1	0	0	0	114.2	G223	G223-H225 PolarHBondContact O-N 3.42Å
226	D	92.3	Very high	92.4	Very high	75 Å²	75	72.1 Å²	72.1	40%	0.401	38%	0.379	S	S	.	.			trans	-106	110.4	-179.2	-179	-7.7	0	0	0	109.7	G223 D228 F229	G223-D226 WeakPolarHBondContact CA-O 3.47Å; D226-D228 PolarHBondContact O-N 2.96Å; D226-D228 WeakPolarHBondContact OD1-CB 3.22Å; D226-D228 PolarHBondContact OD1-N 3.03Å; D226-F229 HydrophobicContact CB-CD2 3.71Å; D226-F229 HydrophobicContact CB-CE2 3.92Å; D226-F229 PolarHBondContact O-N 3.27Å; D226-F229 VanDerWaalsContact OD2-CE2 3.28Å; D226-F229 WeakPolarHBondContact OD2-CE2 3.37Å
227	Y	94.7	Very high	92.9	Very high	8 Å²	8	64.1 Å²	64.1	3%	0.031	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-71.4	-15.6	-173.6	-79.4	-136	0	0	0	112.5	Y101 E131 H135 I212 F229 R230	Y101-Y227 HydrophobicContact CE2-CD1 4.03Å; Y101-Y227 AromaticContact CE2-CE1 3.98Å; Y101-Y227 HydrophobicContact CE2-CE1 3.98Å; E131-Y227 PolarHBondContact OE1-OH 2.91Å; H135-Y227 HydrophobicContact CB-CE1 4.12Å; H135-Y227 HydrophobicContact CB-CE2 4.24Å; H135-Y227 AromaticContact CD2-CD2 3.77Å; H135-Y227 AromaticContact CD2-CE2 3.72Å; H135-Y227 AromaticContact CE1-CD1 3.91Å; H135-Y227 AromaticContact CE1-CD2 3.66Å; H135-Y227 AromaticContact CE1-CG 3.47Å; H135-Y227 VanDerWaalsContact CE1-CG 3.47Å; H135-Y227 AromaticContact CG-CD2 3.94Å; H135-Y227 AromaticContact CG-CE1 3.95Å; H135-Y227 AromaticContact CG-CE2 3.75Å; H135-Y227 AromaticContact CG-CZ 3.77Å; H135-Y227 AromaticContact ND1-CD1 3.55Å; H135-Y227 AromaticContact ND1-CD2 3.85Å; H135-Y227 AromaticContact ND1-CE1 3.8Å; H135-Y227 AromaticContact ND1-CG 3.59Å; H135-Y227 AromaticContact NE2-CD2 3.59Å; H135-Y227 AromaticContact NE2-CG 3.89Å; I212-Y227 HydrophobicContact CB-CD1 4.43Å; I212-Y227 HydrophobicContact CD1-CD1 3.97Å; I212-Y227 HydrophobicContact CG2-CD1 3.97Å; Y227-F229 PolarHBondContact O-N 3.22Å; Y227-R230 VanDerWaalsContact CE1-NH1 3.28Å; Y227-R230 WeakPolarHBondContact O-CB 3.41Å; Y227-R230 PolarHBondContact O-N 3.22Å; Y227-R230 VanDerWaalsContact O-N 3.08Å; Y227-R230 PolarHBondContact OH-NH1 2.81Å; Y227-R230 VanDerWaalsContact OH-NH1 3.11Å
228	D	94.8	Very high	93.4	Very high	54 Å²	54	61.2 Å²	61.2	29%	0.289	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-65.7	-20.4	174	-79.4	-33.1	0	0	0	112.2	G98 G100 D226	G98-D228 WeakPolarHBondContact CA-O 3.34Å; G98-D228 PolarHBondContact N-O 3.27Å; G100-D228 WeakPolarHBondContact CA-OD1 3.38Å; G100-D228 PolarHBondContact N-OD1 3.24Å; D226-D228 PolarHBondContact O-N 2.96Å; D226-D228 WeakPolarHBondContact OD1-CB 3.22Å; D226-D228 PolarHBondContact OD1-N 3.03Å
229	F	95.1	Very high	93.9	Very high	103 Å²	103	52.8 Å²	52.8	45%	0.452	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-86	-9.5	173.9	-64.3	-75.8	0	0	0	114.1	L222 D226 Y227	L222-F229 HydrophobicContact CB-CB 4.02Å; L222-F229 HydrophobicContact CB-CD1 4.15Å; L222-F229 HydrophobicContact CB-CD2 4.49Å; L222-F229 HydrophobicContact CB-CG 3.97Å; L222-F229 HydrophobicContact CD1-CD1 3.99Å; L222-F229 HydrophobicContact CD1-CE1 4.09Å; L222-F229 HydrophobicContact CD2-CD1 4.44Å; L222-F229 HydrophobicContact CD2-CD2 4.44Å; L222-F229 HydrophobicContact CD2-CE1 4.31Å; L222-F229 HydrophobicContact CD2-CE2 4.3Å; L222-F229 HydrophobicContact CD2-CZ 4.23Å; L222-F229 HydrophobicContact CG-CD1 4.43Å; D226-F229 HydrophobicContact CB-CD2 3.71Å; D226-F229 HydrophobicContact CB-CE2 3.92Å; D226-F229 PolarHBondContact O-N 3.27Å; D226-F229 VanDerWaalsContact OD2-CE2 3.28Å; D226-F229 WeakPolarHBondContact OD2-CE2 3.37Å; Y227-F229 PolarHBondContact O-N 3.22Å
230	R	95.1	Very high	94.3	Very high	9 Å²	9	45 Å²	45	3%	0.034	26%	0.259	C	S	.	.	S	Bend	trans	-81.6	141.8	-178.5	-65.8	176	-177.7	-158.7	1.9	110.1	E131 I212 R213 G223 V224 Y227	E131-R230 IonicContact OE1-NH2 2.77Å; I212-R230 HydrophobicContact CG2-CB 3.42Å; I212-R230 VanDerWaalsContact CG2-CB 3.42Å; I212-R230 HydrophobicContact CG2-CG 4.14Å; R213-R230 WeakPolarHBondContact O-CD 3.3Å; G223-R230 PolarHBondContact O-NE 3.35Å; G223-R230 PolarHBondContact O-NH2 3.47Å; V224-R230 PolarHBondContact O-NH2 3.13Å; Y227-R230 VanDerWaalsContact CE1-NH1 3.28Å; Y227-R230 WeakPolarHBondContact O-CB 3.41Å; Y227-R230 PolarHBondContact O-N 3.22Å; Y227-R230 VanDerWaalsContact O-N 3.08Å; Y227-R230 PolarHBondContact OH-NH1 2.81Å; Y227-R230 VanDerWaalsContact OH-NH1 3.11Å
231	T	96.5	Very high	94.3	Very high	49 Å²	49	41.9 Å²	41.9	30%	0.301	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-70.8	144.2	172.3	52.1	0	0	0	0	110.1	A96 T97 R213	A96-T231 CarbonylContact O-C 3.48Å; A96-T231 WeakPolarHBondContact O-CA 3.3Å; T97-T231 HydrophobicContact CG2-CG2 4.06Å; R213-T231 WeakPolarHBondContact CB-O 3.44Å; R213-T231 WeakPolarHBondContact CD-OG1 3.34Å; R213-T231 VanDerWaalsContact CG-O 3.24Å; R213-T231 WeakPolarHBondContact CG-O 3.45Å; R213-T231 PolarHBondContact N-O 3.28Å
232	C	97.5	Very high	94	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-101.8	149.8	178.3	-61.3	0	0	0	0	110.1	I92 G95 A96 Y211	I92-C232 HydrophobicContact CG2-CB 3.44Å; I92-C232 VanDerWaalsContact CG2-CB 3.44Å; G95-C232 WeakPolarHBondContact CA-O 3.46Å; G95-C232 PolarHBondContact N-O 2.72Å; A96-C232 WeakPolarHBondContact O-CB 3.48Å; A96-C232 PolarHBondContact O-N 3.24Å; A96-C232 PolarHBondContact O-SG 2.99Å; A96-C232 VanDerWaalsContact O-SG 3.41Å; Y211-C232 HydrophobicContact CD2-CB 4.2Å; Y211-C232 CarbonylContact O-C 3.5Å; Y211-C232 WeakPolarHBondContact O-CA 3.39Å
233	S	97.4	Very high	93.3	Very high	13 Å²	13	35.8 Å²	35.8	9%	0.091	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-83.3	144.3	163.4	-53.7	0	0	0	0	108.8	E94 Y211 R213 T235	E94-S233 WeakPolarHBondContact OE2-CA 3.44Å; Y211-S233 PolarHBondContact O-N 3.31Å; R213-S233 PolarHBondContact NE-OG 2.76Å; R213-S233 PolarHBondContact NH2-OG 3.42Å; S233-T235 PolarHBondContact O-N 3.47Å
234	A	97.6	Very high	91.8	Very high	49 Å²	49	37.9 Å²	37.9	41%	0.405	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-53.7	129.9	-178.6	0	0	0	0	0	112.1	I92 E94 R207	I92-A234 VanDerWaalsContact O-CA 3.23Å; I92-A234 WeakPolarHBondContact O-CA 3.32Å; E94-A234 HydrophobicContact CB-CB 4.09Å; E94-A234 PolarHBondContact OE2-N 3.32Å; E94-A234 VanDerWaalsContact OE2-N 3.08Å; R207-A234 WeakPolarHBondContact CD-O 3.5Å
235	T	97.3	Very high	90.2	Very high	13 Å²	13	40.8 Å²	40.8	8%	0.08	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	160.8	176	-159.3	0	0	0	0	111.2	I92 I205 R207 Y211 S233 I237	I92-T235 HydrophobicContact CB-CG2 4.16Å; I92-T235 HydrophobicContact CD1-CG2 4.06Å; I92-T235 HydrophobicContact CG1-CG2 4.41Å; I92-T235 PolarHBondContact N-O 3Å; I92-T235 PolarHBondContact O-N 2.9Å; I205-T235 HydrophobicContact CG2-CG2 4.38Å; R207-T235 WeakPolarHBondContact CG-OG1 3.32Å; R207-T235 PolarHBondContact N-OG1 2.87Å; R207-T235 VanDerWaalsContact N-OG1 3.11Å; Y211-T235 HydrophobicContact CD2-CG2 4.4Å; Y211-T235 HydrophobicContact CG-CG2 4.04Å; S233-T235 PolarHBondContact O-N 3.47Å; T235-I237 HydrophobicContact CG2-CG1 4.49Å
236	T	97.1	Very high	88.6	Confident	49 Å²	49	42.6 Å²	42.6	30%	0.301	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.9	172.2	-55.8	0	0	0	0	108.6	Q89 G206	Q89-T236 VanDerWaalsContact CD-CG2 3.49Å; Q89-T236 HydrophobicContact CG-CG2 3.38Å; G206-T236 PolarHBondContact N-O 3.45Å; G206-T236 VanDerWaalsContact N-O 3.11Å
237	I	97	Very high	86.5	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.5	172.7	-55.3	177.5	0	0	0	107.3	Q89 V90 I92 V104 V203 K204 I205 T235 I239	Q89-I237 WeakPolarHBondContact CA-O 3.33Å; V90-I237 HydrophobicContact CB-CB 4.22Å; V90-I237 PolarHBondContact N-O 3.4Å; V90-I237 PolarHBondContact O-N 3.17Å; I92-I237 HydrophobicContact CD1-CD1 3.62Å; I92-I237 HydrophobicContact CD1-CG1 4.3Å; I92-I237 HydrophobicContact CG1-CD1 4.4Å; V104-I237 HydrophobicContact CG1-CD1 3.68Å; V104-I237 HydrophobicContact CG2-CD1 4.17Å; V203-I237 HydrophobicContact CG1-CG2 3.4Å; V203-I237 VanDerWaalsContact CG1-CG2 3.4Å; K204-I237 CarbonylContact O-C 3.59Å; K204-I237 WeakPolarHBondContact O-CA 3.32Å; I205-I237 HydrophobicContact CG1-CG1 4.39Å; I205-I237 HydrophobicContact CG1-CG2 4.26Å; I205-I237 HydrophobicContact CG2-CG1 4.12Å; T235-I237 HydrophobicContact CG2-CG1 4.49Å; I237-I239 HydrophobicContact CG2-CG1 4.12Å
238	D	95.5	Very high	84	Confident	42 Å²	42	51.6 Å²	51.6	23%	0.225	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.6	177.4	-64.3	-72.2	0	0	0	108.8	H87 Q89 V203 K204	H87-D238 IonicContact CE1-OD1 2.57Å; H87-D238 PolarHBondContact CE1-OD1 3.24Å; H87-D238 IonicContact NE2-OD1 3.12Å; Q89-D238 PolarHBondContact NE2-OD1 3.46Å; V203-D238 WeakPolarHBondContact CA-O 3.49Å; K204-D238 HydrophobicContact CB-CB 4.33Å; K204-D238 PolarHBondContact N-O 2.96Å; K204-D238 PolarHBondContact O-N 3.47Å
239	I	94.8	Very high	81.3	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.1	-177	-60.2	159.5	0	0	0	107.9	T27 H87 E88 V90 F108 W201 I202 V203 I237	T27-I239 HydrophobicContact CG2-CG2 4.39Å; H87-I239 WeakPolarHBondContact CA-O 3.25Å; E88-I239 HydrophobicContact CB-CB 4.15Å; E88-I239 HydrophobicContact CG-CD1 4.18Å; E88-I239 PolarHBondContact N-O 3.23Å; E88-I239 PolarHBondContact O-N 2.86Å; V90-I239 HydrophobicContact CG2-CD1 4.15Å; F108-I239 HydrophobicContact CE1-CG2 3.64Å; F108-I239 HydrophobicContact CZ-CB 4.4Å; F108-I239 HydrophobicContact CZ-CD1 3.89Å; F108-I239 HydrophobicContact CZ-CG1 3.94Å; F108-I239 HydrophobicContact CZ-CG2 3.55Å; W201-I239 HydrophobicContact CE3-CG2 4.03Å; W201-I239 HydrophobicContact CZ3-CG2 4.16Å; I202-I239 WeakPolarHBondContact O-CA 3.29Å; V203-I239 HydrophobicContact CG1-CG1 4.25Å; V203-I239 HydrophobicContact CG2-CG1 4.36Å; I237-I239 HydrophobicContact CG2-CG1 4.12Å
240	F	92	Very high	80.7	Confident	22 Å²	22	55 Å²	55	10%	0.096	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	172.9	179.7	57.4	-84.9	0	0	0	110.6	I202 K204 I244 V245	I202-F240 HydrophobicContact CB-CD2 3.93Å; I202-F240 HydrophobicContact CB-CE1 4.25Å; I202-F240 HydrophobicContact CB-CE2 3.58Å; I202-F240 HydrophobicContact CB-CG 4.4Å; I202-F240 HydrophobicContact CB-CZ 3.74Å; I202-F240 HydrophobicContact CD1-CD2 4.21Å; I202-F240 HydrophobicContact CD1-CE2 3.65Å; I202-F240 HydrophobicContact CD1-CZ 4.4Å; I202-F240 HydrophobicContact CG1-CD2 4.48Å; I202-F240 HydrophobicContact CG1-CE2 4.13Å; I202-F240 HydrophobicContact CG2-CD2 4.36Å; I202-F240 HydrophobicContact CG2-CE1 3.86Å; I202-F240 HydrophobicContact CG2-CE2 3.56Å; I202-F240 HydrophobicContact CG2-CZ 3.24Å; I202-F240 PolarHBondContact N-O 2.85Å; I202-F240 PolarHBondContact O-N 2.63Å; K204-F240 HydrophobicContact CB-CE1 4.19Å; K204-F240 HydrophobicContact CD-CE1 3.75Å; K204-F240 HydrophobicContact CD-CZ 3.83Å; K204-F240 HydrophobicContact CG-CE1 3.72Å; K204-F240 HydrophobicContact CG-CZ 3.95Å; F240-I244 HydrophobicContact CB-CD1 3.75Å; F240-V245 HydrophobicContact CE2-CG2 4.19Å
241	H	90.8	Very high	79.9	Confident	35 Å²	35	57.4 Å²	57.4	16%	0.162	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.5	-179.6	-167.1	-91.9	0	0	0	111.1	S199 G200 W201 S243 I244	S199-H241 PolarHBondContact O-NE2 3.43Å; G200-H241 VanDerWaalsContact C-CD2 3.47Å; G200-H241 CarbonylContact O-C 3.52Å; G200-H241 WeakPolarHBondContact O-CA 3.32Å; G200-H241 PolarHBondContact O-CD2 3.44Å; W201-H241 HydrophobicContact CE3-CB 4.43Å; W201-H241 HydrophobicContact CZ3-CB 4.39Å; H241-S243 PolarHBondContact ND1-N 3.33Å; H241-S243 PolarHBondContact ND1-OG 3.39Å; H241-S243 PolarHBondContact O-N 3.18Å; H241-I244 VanDerWaalsContact O-CB 3.26Å; H241-I244 WeakPolarHBondContact O-CB 3.32Å; H241-I244 VanDerWaalsContact O-CG1 3.3Å; H241-I244 WeakPolarHBondContact O-CG1 3.49Å; H241-I244 PolarHBondContact O-N 3.01Å
242	S	84.1	Confident	79	Confident	33 Å²	33	57.8 Å²	57.8	23%	0.231	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.6	-175.5	60.5	0	0	0	0	115.3	G200 I244 V245 R246	G200-S242 WeakPolarHBondContact CA-OG 3.42Å; G200-S242 WeakPolarHBondContact O-CB 3.48Å; G200-S242 PolarHBondContact O-N 3.37Å; G200-S242 PolarHBondContact O-OG 3.43Å; S242-I244 PolarHBondContact O-N 2.88Å; S242-V245 PolarHBondContact O-N 3.42Å; S242-V245 VanDerWaalsContact O-N 3.09Å; S242-R246 PolarHBondContact O-N 3.1Å
243	S	76.7	Confident	77.9	Confident	20 Å²	20	61.2 Å²	61.2	14%	0.14	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.9	169.4	42.3	0	0	0	0	113	S81 H241	S81-S243 VanDerWaalsContact C-OG 3.31Å; S81-S243 VanDerWaalsContact O-CB 3.29Å; S81-S243 WeakPolarHBondContact O-CB 3.5Å; S81-S243 PolarHBondContact O-OG 2.85Å; H241-S243 PolarHBondContact ND1-N 3.33Å; H241-S243 PolarHBondContact ND1-OG 3.39Å; H241-S243 PolarHBondContact O-N 3.18Å
244	I	61.9	Low	76.7	Confident	45 Å²	45	64.3 Å²	64.3	23%	0.231	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-48.6	171.6	-63.7	173.1	0	0	0	110.1	G84 Y86 F240 H241 S242 R246 Q247	G84-I244 VanDerWaalsContact C-CG1 3.49Å; G84-I244 VanDerWaalsContact CA-CG1 3.48Å; G84-I244 WeakPolarHBondContact O-CG1 3.43Å; Y86-I244 WeakPolarHBondContact O-CD1 3.5Å; F240-I244 HydrophobicContact CB-CD1 3.75Å; H241-I244 VanDerWaalsContact O-CB 3.26Å; H241-I244 WeakPolarHBondContact O-CB 3.32Å; H241-I244 VanDerWaalsContact O-CG1 3.3Å; H241-I244 WeakPolarHBondContact O-CG1 3.49Å; H241-I244 PolarHBondContact O-N 3.01Å; S242-I244 PolarHBondContact O-N 2.88Å; I244-R246 VanDerWaalsContact C-N 3.26Å; I244-R246 PolarHBondContact O-N 3.21Å; I244-Q247 PolarHBondContact O-N 3.01Å; I244-Q247 VanDerWaalsContact O-N 3.15Å
245	V	57.2	Low	75.3	Confident	79 Å²	79	65.3 Å²	65.3	48%	0.479	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-65	-32.7	-176.2	-174.4	0	0	0	0	111.5	I202 F240 S242 Q247 D248	I202-V245 HydrophobicContact CD1-CG2 4.17Å; F240-V245 HydrophobicContact CE2-CG2 4.19Å; S242-V245 PolarHBondContact O-N 3.42Å; S242-V245 VanDerWaalsContact O-N 3.09Å; V245-Q247 PolarHBondContact O-N 3.16Å; V245-D248 PolarHBondContact O-N 3.32Å
246	R	54.8	Low	73.7	Confident	194 Å²	194	69 Å²	69	73%	0.732	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-69.1	-14.6	178.3	-70.6	-173	-177.8	-179.1	2.3	114.4	S242 I244 D248	S242-R246 PolarHBondContact O-N 3.1Å; I244-R246 VanDerWaalsContact C-N 3.26Å; I244-R246 PolarHBondContact O-N 3.21Å; R246-D248 VanDerWaalsContact C-N 3.32Å
247	Q	48.4	Very low	71.9	Confident	122 Å²	122	70.5 Å²	70.5	57%	0.57	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-79.1	-17.5	177.6	-70	-175	8.4	0	0	112.8	N83 I244 V245	N83-Q247 PolarHBondContact O-NE2 2.96Å; I244-Q247 PolarHBondContact O-N 3.01Å; I244-Q247 VanDerWaalsContact O-N 3.15Å; V245-Q247 PolarHBondContact O-N 3.16Å
248	D	42.7	Very low	69.8	Low	151 Å²	151	76.3 Å²	76.3	81%	0.807	39%	0.394	S	S	*	.			trans	-99.2	5.8	-177.8	-71.7	-25.9	0	0	0	114.5	V245 R246	V245-D248 PolarHBondContact O-N 3.32Å; R246-D248 VanDerWaalsContact C-N 3.32Å
249	T	38.8	Very low	67.5	Low	172 Å²	172	79.5 Å²	79.5	100%	1.055	41%	0.41	S	S	*	.			trans	-117	0	173.1	49.5	0	0	0	0	111.9

Retrieved 249 of 249 residues in 85.4 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).