A0A096NTY2_PAPAN Loading...

Voltage-dependent calcium channel gamma-1 subunit

Regulatory subunit of the voltage-gated calcium channel that gives rise to L-type calcium currents in skeletal muscle. Regulates channel inactivation kinetics.

AlphaFold DB (A0A2K6JUJ2), UniProt , Accession A0A096NTY2, Species PAPAN (Papio anubis, Olive baboon), Gene CACNG1, Length 222 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	47.3	Very low	73.4	Confident	198 Å²	198	88.7 Å²	88.7	98%	0.975	43%	0.433	S	S	*	.				0	113.6	0	-176.3	172.2	148.6	0	0	107.4	Q3 K5	M1-Q3 PolarHBondContact O-N 3.44Å; M1-K5 HydrophobicContact CE-CB 4.48Å
2	S	57.3	Low	75.1	Confident	34 Å²	34	82.5 Å²	82.5	24%	0.238	40%	0.404	C	S	.	.			trans	-51.2	134.3	-170.7	162.7	0	0	0	0	112.9	T4 K5 D134	S2-T4 PolarHBondContact O-N 2.78Å; S2-T4 VanDerWaalsContact O-N 3.13Å; S2-T4 PolarHBondContact OG-OG1 3.48Å; S2-K5 PolarHBondContact O-N 2.84Å; S2-D134 VanDerWaalsContact CA-OD2 3.3Å; S2-D134 WeakPolarHBondContact CA-OD2 3.1Å; S2-D134 VanDerWaalsContact CB-OD2 3.27Å; S2-D134 WeakPolarHBondContact CB-OD2 3.4Å; S2-D134 PolarHBondContact OG-OD1 3.13Å; S2-D134 PolarHBondContact OG-OD2 3.14Å
3	Q	60.3	Low	76.4	Confident	55 Å²	55	77.9 Å²	77.9	26%	0.257	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-54.8	-33.1	-176.8	-90.7	-168.9	-22.2	0	0	112	M1 K5 T6 D134 F202 S203 L204	M1-Q3 PolarHBondContact O-N 3.44Å; Q3-K5 PolarHBondContact O-N 2.84Å; Q3-T6 WeakPolarHBondContact O-CB 3Å; Q3-T6 PolarHBondContact O-N 3.16Å; Q3-T6 VanDerWaalsContact O-N 3.14Å; Q3-T6 PolarHBondContact O-OG1 3.4Å; Q3-D134 HydrophobicContact CB-CB 4.45Å; Q3-D134 PolarHBondContact N-OD2 3.27Å; Q3-F202 PolarHBondContact NE2-O 3.34Å; Q3-F202 VanDerWaalsContact NE2-O 3.16Å; Q3-S203 PolarHBondContact NE2-O 3.02Å; Q3-S203 VanDerWaalsContact OE1-CA 3.29Å; Q3-S203 PolarHBondContact OE1-O 3.12Å; Q3-S203 VanDerWaalsContact OE1-O 3.04Å; Q3-L204 PolarHBondContact NE2-O 3.16Å
4	T	59.8	Low	77.6	Confident	11 Å²	11	83 Å²	83	7%	0.067	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-63.3	-19.9	178.1	53.8	0	0	0	0	114.8	S2 T6 F129 D134 L137	S2-T4 PolarHBondContact O-N 2.78Å; S2-T4 VanDerWaalsContact O-N 3.13Å; S2-T4 PolarHBondContact OG-OG1 3.48Å; T4-T6 VanDerWaalsContact C-N 3.35Å; T4-F129 HydrophobicContact CG2-CD1 4.25Å; T4-F129 HydrophobicContact CG2-CE1 4.08Å; T4-D134 WeakPolarHBondContact CG2-OD1 3.45Å; T4-D134 PolarHBondContact OG1-OD1 3.49Å; T4-L137 HydrophobicContact CG2-CD1 3.63Å; T4-L137 HydrophobicContact CG2-CG 4.46Å
5	K	64.8	Low	78.7	Confident	131 Å²	131	80.7 Å²	80.7	57%	0.57	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-86.1	-7.3	177.4	-67.4	-172	178.5	-174.5	0	113.4	M1 S2 Q3 L7	M1-K5 HydrophobicContact CE-CB 4.48Å; S2-K5 PolarHBondContact O-N 2.84Å; Q3-K5 PolarHBondContact O-N 2.84Å; K5-L7 PolarHBondContact O-N 3.15Å
6	T	80.2	Confident	79.8	Confident	56 Å²	56	75.8 Å²	75.8	34%	0.344	37%	0.373	S	S	.	.			trans	-69.6	128.2	-179.4	-46.7	0	0	0	0	109.8	Q3 T4 K8 V9 R10	Q3-T6 WeakPolarHBondContact O-CB 3Å; Q3-T6 PolarHBondContact O-N 3.16Å; Q3-T6 VanDerWaalsContact O-N 3.14Å; Q3-T6 PolarHBondContact O-OG1 3.4Å; T4-T6 VanDerWaalsContact C-N 3.35Å; T6-K8 HydrophobicContact CG2-CB 4.14Å; T6-K8 HydrophobicContact CG2-CG 4.39Å; T6-K8 PolarHBondContact O-N 3.14Å; T6-K8 VanDerWaalsContact O-N 3.14Å; T6-V9 PolarHBondContact O-N 3.35Å; T6-R10 PolarHBondContact O-N 3.19Å
7	L	84.2	Confident	80.7	Confident	133 Å²	133	77.4 Å²	77.4	70%	0.696	38%	0.383	S	S	*	.	H	α-helix	trans	-50.8	-41	178.3	-178.1	66.8	0	0	0	111.9	K5 V9 R10 V11	K5-L7 PolarHBondContact O-N 3.15Å; L7-V9 PolarHBondContact O-N 3Å; L7-R10 PolarHBondContact O-N 3.42Å; L7-V11 HydrophobicContact CD1-CG2 4.32Å; L7-V11 HydrophobicContact CG-CG2 4.32Å; L7-V11 WeakPolarHBondContact O-CG2 3.38Å; L7-V11 PolarHBondContact O-N 2.98Å
8	K	87.3	Confident	81.6	Confident	128 Å²	128	75.2 Å²	75.2	56%	0.557	38%	0.378	S	S	*	.	H	α-helix	trans	-55.6	-47.1	177.7	-62.4	-177.6	178.6	-175.6	0	112.4	T6 V11 T12 F202	T6-K8 HydrophobicContact CG2-CB 4.14Å; T6-K8 HydrophobicContact CG2-CG 4.39Å; T6-K8 PolarHBondContact O-N 3.14Å; T6-K8 VanDerWaalsContact O-N 3.14Å; K8-V11 PolarHBondContact O-N 3.22Å; K8-T12 PolarHBondContact O-N 3.4Å; K8-T12 PolarHBondContact O-OG1 2.93Å; K8-F202 HydrophobicContact CB-CD2 4.3Å; K8-F202 HydrophobicContact CB-CE2 4.21Å
9	V	86.5	Confident	82.3	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.024	36%	0.359	C	S	.	.	H	α-helix	trans	-65	-41.9	179.8	174.1	0	0	0	0	110.9	T6 L7 T12 L13 L137 L199 F202	T6-V9 PolarHBondContact O-N 3.35Å; L7-V9 PolarHBondContact O-N 3Å; V9-T12 PolarHBondContact O-N 3.13Å; V9-L13 HydrophobicContact CG1-CD1 4.04Å; V9-L13 HydrophobicContact CG1-CG 4.47Å; V9-L13 WeakPolarHBondContact O-CB 3.3Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.35Å; V9-L13 PolarHBondContact O-N 2.89Å; V9-L137 HydrophobicContact CG1-CD1 4.46Å; V9-L199 HydrophobicContact CG1-CD1 3.93Å; V9-F202 HydrophobicContact CG2-CB 4.09Å
10	R	88	Confident	83	Confident	145 Å²	145	69.4 Å²	69.4	55%	0.547	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-42.8	178	-69.9	-176.1	175.7	-173.2	-4.9	112.7	T6 L7 L13 F14	T6-R10 PolarHBondContact O-N 3.19Å; L7-R10 PolarHBondContact O-N 3.42Å; R10-L13 PolarHBondContact O-N 3.42Å; R10-F14 PolarHBondContact O-N 3.25Å
11	V	92.1	Very high	83.6	Confident	81 Å²	81	69.9 Å²	69.9	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-45.7	175.6	172.3	0	0	0	0	110.1	L7 K8 L13 F14 C15	L7-V11 HydrophobicContact CD1-CG2 4.32Å; L7-V11 HydrophobicContact CG-CG2 4.32Å; L7-V11 WeakPolarHBondContact O-CG2 3.38Å; L7-V11 PolarHBondContact O-N 2.98Å; K8-V11 PolarHBondContact O-N 3.22Å; V11-L13 VanDerWaalsContact C-N 3.34Å; V11-L13 PolarHBondContact O-N 3.02Å; V11-F14 WeakPolarHBondContact O-CB 3.49Å; V11-F14 PolarHBondContact O-N 3.14Å; V11-C15 PolarHBondContact O-N 2.91Å; V11-C15 PolarHBondContact O-SG 2.95Å; V11-C15 VanDerWaalsContact O-SG 3.39Å
12	T	93.1	Very high	85.8	Confident	14 Å²	14	62.9 Å²	62.9	9%	0.086	32%	0.322	C	S	.	.	H	α-helix	trans	-60.6	-42.8	176.5	-55.1	0	0	0	0	112.1	K8 V9 F14 C15 I16 G195 A198 L199 F202	K8-T12 PolarHBondContact O-N 3.4Å; K8-T12 PolarHBondContact O-OG1 2.93Å; V9-T12 PolarHBondContact O-N 3.13Å; T12-F14 VanDerWaalsContact C-N 3.31Å; T12-F14 PolarHBondContact O-N 3.5Å; T12-C15 WeakPolarHBondContact O-CB 3.4Å; T12-C15 PolarHBondContact O-N 3.48Å; T12-I16 HydrophobicContact CG2-CD1 4.17Å; T12-I16 WeakPolarHBondContact O-CG1 3.15Å; T12-I16 PolarHBondContact O-N 3.22Å; T12-G195 VanDerWaalsContact CG2-O 3.32Å; T12-G195 WeakPolarHBondContact CG2-O 3.13Å; T12-A198 HydrophobicContact CG2-CB 4.21Å; T12-L199 HydrophobicContact CG2-CB 3.95Å; T12-L199 HydrophobicContact CG2-CD1 4.43Å; T12-F202 WeakPolarHBondContact OG1-CE2 3.22Å
13	L	91.8	Very high	87.5	Confident	23 Å²	23	61.4 Å²	61.4	12%	0.12	31%	0.312	C	S	.	.	H	α-helix	trans	-63.8	-36	176.6	-73.1	171.5	0	0	0	112.6	V9 R10 V11 I16 L17 V125 F129 L199	V9-L13 HydrophobicContact CG1-CD1 4.04Å; V9-L13 HydrophobicContact CG1-CG 4.47Å; V9-L13 WeakPolarHBondContact O-CB 3.3Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.35Å; V9-L13 PolarHBondContact O-N 2.89Å; R10-L13 PolarHBondContact O-N 3.42Å; V11-L13 VanDerWaalsContact C-N 3.34Å; V11-L13 PolarHBondContact O-N 3.02Å; L13-I16 PolarHBondContact O-N 3.26Å; L13-L17 WeakPolarHBondContact O-CB 3.12Å; L13-L17 PolarHBondContact O-N 3.47Å; L13-V125 HydrophobicContact CD1-CG1 4.36Å; L13-V125 HydrophobicContact CD2-CG1 3.96Å; L13-V125 HydrophobicContact CD2-CG2 4.03Å; L13-F129 HydrophobicContact CD1-CE2 3.83Å; L13-F129 HydrophobicContact CD1-CZ 3.47Å; L13-F129 VanDerWaalsContact CD1-CZ 3.47Å; L13-L199 HydrophobicContact CD2-CD1 4.23Å; L13-L199 HydrophobicContact CD2-CD2 3.86Å; L13-L199 HydrophobicContact CG-CD1 4.27Å
14	F	93.7	Very high	89.1	Confident	149 Å²	149	62.9 Å²	62.9	65%	0.654	32%	0.32	S	S	*	.	H	α-helix	trans	-65.5	-42.2	173.5	-175	-97.7	0	0	0	111.8	R10 V11 T12 I16 L17 A18	R10-F14 PolarHBondContact O-N 3.25Å; V11-F14 WeakPolarHBondContact O-CB 3.49Å; V11-F14 PolarHBondContact O-N 3.14Å; T12-F14 VanDerWaalsContact C-N 3.31Å; T12-F14 PolarHBondContact O-N 3.5Å; F14-I16 VanDerWaalsContact C-N 3.34Å; F14-I16 PolarHBondContact O-N 3Å; F14-L17 WeakPolarHBondContact O-CB 3.18Å; F14-L17 PolarHBondContact O-N 2.83Å; F14-A18 PolarHBondContact O-N 3.42Å
15	C	94.8	Very high	90.6	Very high	49 Å²	49	64.9 Å²	64.9	33%	0.331	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-41.6	173.3	-65.9	0	0	0	0	112.2	V11 T12 L17 A18 G19	V11-C15 PolarHBondContact O-N 2.91Å; V11-C15 PolarHBondContact O-SG 2.95Å; V11-C15 VanDerWaalsContact O-SG 3.39Å; T12-C15 WeakPolarHBondContact O-CB 3.4Å; T12-C15 PolarHBondContact O-N 3.48Å; C15-L17 VanDerWaalsContact C-N 3.33Å; C15-A18 PolarHBondContact O-N 2.9Å; C15-G19 PolarHBondContact O-N 2.84Å
16	I	95.3	Very high	91.9	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-42.9	175	-69.9	169.1	0	0	0	110.2	T12 L13 F14 A18 G19 I20 Y144 L192 L199	T12-I16 HydrophobicContact CG2-CD1 4.17Å; T12-I16 WeakPolarHBondContact O-CG1 3.15Å; T12-I16 PolarHBondContact O-N 3.22Å; L13-I16 PolarHBondContact O-N 3.26Å; F14-I16 VanDerWaalsContact C-N 3.34Å; F14-I16 PolarHBondContact O-N 3Å; I16-A18 VanDerWaalsContact C-N 3.34Å; I16-A18 PolarHBondContact O-N 3.32Å; I16-G19 CarbonylContact O-C 3.53Å; I16-G19 WeakPolarHBondContact O-CA 3.4Å; I16-G19 PolarHBondContact O-N 2.89Å; I16-I20 HydrophobicContact CG2-CD1 4.07Å; I16-I20 HydrophobicContact CG2-CG1 4.36Å; I16-I20 WeakPolarHBondContact O-CG1 3.28Å; I16-I20 PolarHBondContact O-N 3.49Å; I16-Y144 HydrophobicContact CD1-CD2 4Å; I16-Y144 HydrophobicContact CD1-CE2 4.39Å; I16-Y144 HydrophobicContact CG2-CD1 3.88Å; I16-Y144 HydrophobicContact CG2-CD2 3.95Å; I16-Y144 HydrophobicContact CG2-CE1 3.82Å; I16-Y144 HydrophobicContact CG2-CE2 3.87Å; I16-Y144 HydrophobicContact CG2-CG 3.94Å; I16-L192 HydrophobicContact CG2-CD2 4.04Å; I16-L199 HydrophobicContact CD1-CB 4.26Å; I16-L199 HydrophobicContact CD1-CD2 3.84Å
17	L	95.6	Very high	92.3	Very high	103 Å²	103	56.6 Å²	56.6	54%	0.539	29%	0.292	S	S	.	.	H	α-helix	trans	-60.6	-42.1	177.6	-174.5	134.7	0	0	0	112	L13 F14 C15 G19 I20 V21	L13-L17 WeakPolarHBondContact O-CB 3.12Å; L13-L17 PolarHBondContact O-N 3.47Å; F14-L17 WeakPolarHBondContact O-CB 3.18Å; F14-L17 PolarHBondContact O-N 2.83Å; C15-L17 VanDerWaalsContact C-N 3.33Å; L17-G19 VanDerWaalsContact C-N 3.33Å; L17-G19 PolarHBondContact O-N 3.33Å; L17-I20 PolarHBondContact O-N 2.85Å; L17-V21 WeakPolarHBondContact O-CG2 3.3Å; L17-V21 PolarHBondContact O-N 3.15Å; L17-V21 VanDerWaalsContact O-N 3.1Å
18	A	96.4	Very high	92.5	Very high	37 Å²	37	54.9 Å²	54.9	31%	0.306	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-42.4	171.6	0	0	0	0	0	111.8	F14 C15 I16 I20 V21 L22	F14-A18 PolarHBondContact O-N 3.42Å; C15-A18 PolarHBondContact O-N 2.9Å; I16-A18 VanDerWaalsContact C-N 3.34Å; I16-A18 PolarHBondContact O-N 3.32Å; A18-I20 VanDerWaalsContact C-N 3.35Å; A18-I20 PolarHBondContact O-N 3.34Å; A18-V21 PolarHBondContact O-N 3.48Å; A18-L22 WeakPolarHBondContact O-CG 3.47Å; A18-L22 PolarHBondContact O-N 2.89Å
19	G	95.3	Very high	92.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-39.4	174.2	0	0	0	0	0	113.5	C15 I16 L17 L22 A23	C15-G19 PolarHBondContact O-N 2.84Å; I16-G19 CarbonylContact O-C 3.53Å; I16-G19 WeakPolarHBondContact O-CA 3.4Å; I16-G19 PolarHBondContact O-N 2.89Å; L17-G19 VanDerWaalsContact C-N 3.33Å; L17-G19 PolarHBondContact O-N 3.33Å; G19-L22 PolarHBondContact O-N 3.04Å; G19-A23 WeakPolarHBondContact O-CB 3.34Å; G19-A23 PolarHBondContact O-N 3.18Å
20	I	95.6	Very high	92.2	Very high	35 Å²	35	51.1 Å²	51.1	18%	0.179	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-46.3	175.6	-67.6	170	0	0	0	110.7	I16 L17 A18 L22 A23 M24 V118 Y144 L192	I16-I20 HydrophobicContact CG2-CD1 4.07Å; I16-I20 HydrophobicContact CG2-CG1 4.36Å; I16-I20 WeakPolarHBondContact O-CG1 3.28Å; I16-I20 PolarHBondContact O-N 3.49Å; L17-I20 PolarHBondContact O-N 2.85Å; A18-I20 VanDerWaalsContact C-N 3.35Å; A18-I20 PolarHBondContact O-N 3.34Å; I20-L22 VanDerWaalsContact C-N 3.35Å; I20-A23 PolarHBondContact O-N 3.42Å; I20-M24 HydrophobicContact CG2-CG 4.48Å; I20-M24 WeakPolarHBondContact O-CG 3.27Å; I20-M24 PolarHBondContact O-N 3.03Å; I20-V118 HydrophobicContact CB-CG1 4.33Å; I20-V118 HydrophobicContact CD1-CG1 3.89Å; I20-V118 HydrophobicContact CG1-CG1 3.73Å; I20-V118 HydrophobicContact CG2-CG1 3.75Å; I20-Y144 HydrophobicContact CD1-CE1 3.81Å; I20-Y144 HydrophobicContact CG1-CE1 4.44Å; I20-L192 HydrophobicContact CG1-CD2 3.93Å
21	V	95.9	Very high	92	Very high	80 Å²	80	46.7 Å²	46.7	49%	0.485	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-44.6	178.6	175.5	0	0	0	0	110.3	L17 A18 A23 M24 T25	L17-V21 WeakPolarHBondContact O-CG2 3.3Å; L17-V21 PolarHBondContact O-N 3.15Å; L17-V21 VanDerWaalsContact O-N 3.1Å; A18-V21 PolarHBondContact O-N 3.48Å; V21-A23 PolarHBondContact O-N 2.99Å; V21-M24 PolarHBondContact O-N 2.97Å; V21-T25 HydrophobicContact CG1-CG2 4.43Å; V21-T25 WeakPolarHBondContact O-CG2 3.48Å; V21-T25 PolarHBondContact O-N 3.39Å; V21-T25 PolarHBondContact O-OG1 2.93Å
22	L	94.4	Very high	91.7	Very high	51 Å²	51	43.1 Å²	43.1	27%	0.267	24%	0.237	S	C	.	.	H	α-helix	trans	-62	-42.2	176.1	-70.7	171.8	0	0	0	112.1	A18 G19 I20 M24 T25 A26 C184 A187 A188 L191	A18-L22 WeakPolarHBondContact O-CG 3.47Å; A18-L22 PolarHBondContact O-N 2.89Å; G19-L22 PolarHBondContact O-N 3.04Å; I20-L22 VanDerWaalsContact C-N 3.35Å; L22-M24 PolarHBondContact O-N 2.87Å; L22-T25 WeakPolarHBondContact CA-OG1 3.44Å; L22-T25 PolarHBondContact O-N 3.36Å; L22-T25 PolarHBondContact O-OG1 3.39Å; L22-A26 WeakPolarHBondContact O-CB 3.24Å; L22-A26 PolarHBondContact O-N 3.37Å; L22-C184 HydrophobicContact CD2-CB 4.44Å; L22-A187 HydrophobicContact CD1-CB 4.23Å; L22-A188 HydrophobicContact CB-CB 3.89Å; L22-L191 HydrophobicContact CD1-CD1 3.76Å
23	A	93.4	Very high	91.1	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-46.7	174.8	0	0	0	0	0	111.8	G19 I20 V21 A26 V27 I151 A188 L192	G19-A23 WeakPolarHBondContact O-CB 3.34Å; G19-A23 PolarHBondContact O-N 3.18Å; I20-A23 PolarHBondContact O-N 3.42Å; V21-A23 PolarHBondContact O-N 2.99Å; A23-A26 PolarHBondContact O-N 2.91Å; A23-V27 WeakPolarHBondContact O-CG2 3.41Å; A23-V27 PolarHBondContact O-N 2.88Å; A23-I151 HydrophobicContact CB-CD1 3.5Å; A23-A188 HydrophobicContact CB-CB 3.93Å; A23-L192 HydrophobicContact CB-CD1 4.16Å
24	M	92.8	Very high	90.5	Very high	87 Å²	87	41.9 Å²	41.9	43%	0.429	23%	0.231	S	C	.	.	H	α-helix	trans	-61.6	-45.4	177.5	-73.7	-64.5	-65.4	0	0	111.6	I20 V21 L22 A26 V27 V28 L115	I20-M24 HydrophobicContact CG2-CG 4.48Å; I20-M24 WeakPolarHBondContact O-CG 3.27Å; I20-M24 PolarHBondContact O-N 3.03Å; V21-M24 PolarHBondContact O-N 2.97Å; L22-M24 PolarHBondContact O-N 2.87Å; M24-A26 PolarHBondContact O-N 3.3Å; M24-V27 PolarHBondContact O-N 3.34Å; M24-V28 WeakPolarHBondContact O-CB 3.32Å; M24-V28 VanDerWaalsContact O-CG2 3.3Å; M24-V28 WeakPolarHBondContact O-CG2 3.34Å; M24-V28 PolarHBondContact O-N 2.89Å; M24-L115 HydrophobicContact SD-CD1 4.42Å; M24-L115 HydrophobicContact SD-CD2 3.31Å; M24-L115 WeakPolarHBondContact SD-CD2 3.34Å; M24-L115 HydrophobicContact SD-CG 4.49Å
25	T	92.2	Very high	89.4	Confident	52 Å²	52	34.9 Å²	34.9	32%	0.319	20%	0.2	S	C	.	.	H	α-helix	trans	-61.6	-44.3	176.8	57.4	0	0	0	0	111.3	V21 L22 V27 V28 T29	V21-T25 HydrophobicContact CG1-CG2 4.43Å; V21-T25 WeakPolarHBondContact O-CG2 3.48Å; V21-T25 PolarHBondContact O-N 3.39Å; V21-T25 PolarHBondContact O-OG1 2.93Å; L22-T25 WeakPolarHBondContact CA-OG1 3.44Å; L22-T25 PolarHBondContact O-N 3.36Å; L22-T25 PolarHBondContact O-OG1 3.39Å; T25-V27 PolarHBondContact O-N 3.39Å; T25-V28 PolarHBondContact O-N 2.96Å; T25-T29 VanDerWaalsContact O-CB 3.23Å; T25-T29 WeakPolarHBondContact O-CB 3.44Å; T25-T29 WeakPolarHBondContact O-CG2 3.48Å; T25-T29 PolarHBondContact O-N 2.97Å; T25-T29 VanDerWaalsContact O-N 3.09Å; T25-T29 PolarHBondContact O-OG1 3.38Å
26	A	90.8	Very high	88.1	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-44.7	177.2	0	0	0	0	0	112.4	L22 A23 M24 V28 T29 W32 C184 A185	L22-A26 WeakPolarHBondContact O-CB 3.24Å; L22-A26 PolarHBondContact O-N 3.37Å; A23-A26 PolarHBondContact O-N 2.91Å; M24-A26 PolarHBondContact O-N 3.3Å; A26-V28 PolarHBondContact O-N 2.74Å; A26-T29 PolarHBondContact O-N 2.62Å; A26-T29 PolarHBondContact O-OG1 2.84Å; A26-W32 HydrophobicContact CB-CZ2 4.07Å; A26-W32 WeakPolarHBondContact O-CZ2 3.4Å; A26-W32 PolarHBondContact O-NE1 3.25Å; A26-C184 HydrophobicContact CB-CB 4.25Å; A26-A185 HydrophobicContact CB-CB 3.88Å
27	V	89.5	Confident	86.7	Confident	12 Å²	12	36 Å²	36	7%	0.073	21%	0.208	C	C	.	.	H	α-helix	trans	-68.8	-34.3	-178	173.8	0	0	0	0	112.8	A23 M24 T25 L53 W54 A111 L115	A23-V27 WeakPolarHBondContact O-CG2 3.41Å; A23-V27 PolarHBondContact O-N 2.88Å; M24-V27 PolarHBondContact O-N 3.34Å; T25-V27 PolarHBondContact O-N 3.39Å; V27-L53 HydrophobicContact CG1-CD2 4.43Å; V27-W54 HydrophobicContact CG1-CZ2 4.2Å; V27-W54 PolarHBondContact O-NE1 3.25Å; V27-A111 HydrophobicContact CG1-CB 4.46Å; V27-A111 HydrophobicContact CG2-CB 4.16Å; V27-L115 HydrophobicContact CG1-CD1 4.18Å
28	V	88.2	Confident	84.6	Confident	97 Å²	97	36 Å²	36	59%	0.588	21%	0.205	S	C	*	.	H	α-helix	trans	-82.7	-22.8	-178.2	175.3	0	0	0	0	112.3	M24 T25 A26	M24-V28 WeakPolarHBondContact O-CB 3.32Å; M24-V28 VanDerWaalsContact O-CG2 3.3Å; M24-V28 WeakPolarHBondContact O-CG2 3.34Å; M24-V28 PolarHBondContact O-N 2.89Å; T25-V28 PolarHBondContact O-N 2.96Å; A26-V28 PolarHBondContact O-N 2.74Å
29	T	86.8	Confident	82.6	Confident	28 Å²	28	38.7 Å²	38.7	17%	0.172	21%	0.212	C	C	.	.			trans	-93.4	143.1	-171.6	55	0	0	0	0	112.2	T25 A26 H31 W32 W180 S181	T25-T29 VanDerWaalsContact O-CB 3.23Å; T25-T29 WeakPolarHBondContact O-CB 3.44Å; T25-T29 WeakPolarHBondContact O-CG2 3.48Å; T25-T29 PolarHBondContact O-N 2.97Å; T25-T29 VanDerWaalsContact O-N 3.09Å; T25-T29 PolarHBondContact O-OG1 3.38Å; A26-T29 PolarHBondContact O-N 2.62Å; A26-T29 PolarHBondContact O-OG1 2.84Å; T29-H31 VanDerWaalsContact C-N 3.32Å; T29-H31 PolarHBondContact O-N 3.19Å; T29-W32 VanDerWaalsContact O-CD1 3.27Å; T29-W32 PolarHBondContact O-NE1 2.96Å; T29-W180 HydrophobicContact CG2-CH2 3.29Å; T29-W180 HydrophobicContact CG2-CZ2 4.17Å; T29-W180 HydrophobicContact CG2-CZ3 3.86Å; T29-S181 WeakPolarHBondContact CB-OG 3.49Å; T29-S181 VanDerWaalsContact OG1-CB 3.29Å; T29-S181 WeakPolarHBondContact OG1-CB 3.5Å; T29-S181 PolarHBondContact OG1-OG 3.01Å
30	D	81	Confident	80.2	Confident	25 Å²	25	45.7 Å²	45.7	13%	0.134	25%	0.245	C	C	.	.	S	Bend	trans	-95.5	21.7	-175.1	-54.4	-49.8	0	0	0	113.2	F51 G52	D30-F51 CarbonylContact C-O 3.59Å; D30-F51 CarbonylContact O-C 3.5Å; D30-G52 VanDerWaalsContact CA-CA 3.48Å; D30-G52 PolarHBondContact O-N 2.83Å
31	H	84.3	Confident	77.7	Confident	53 Å²	53	51.6 Å²	51.6	25%	0.245	27%	0.272	C	S	.	.			trans	-112.4	54.8	-174.3	-68.7	-75.7	0	0	0	111.7	T29 H50 S179 W180 S181	T29-H31 VanDerWaalsContact C-N 3.32Å; T29-H31 PolarHBondContact O-N 3.19Å; H31-H50 AromaticContact CE1-ND1 3.98Å; H31-H50 AromaticContact ND1-CE1 3.97Å; H31-H50 AromaticContact ND1-ND1 3.54Å; H31-S179 VanDerWaalsContact C-CB 3.46Å; H31-S179 CarbonylContact O-C 3.43Å; H31-S179 WeakPolarHBondContact O-CB 3.31Å; H31-W180 HydrophobicContact CB-CD2 4.39Å; H31-W180 HydrophobicContact CB-CZ2 4.05Å; H31-W180 AromaticContact CD2-CE2 3.9Å; H31-W180 AromaticContact CD2-CZ2 3.59Å; H31-W180 AromaticContact CD2-NE1 3.75Å; H31-W180 AromaticContact CG-CE2 3.94Å; H31-W180 AromaticContact CG-NE1 3.5Å; H31-S181 WeakPolarHBondContact CB-OG 3.4Å; H31-S181 WeakPolarHBondContact O-CB 3.39Å; H31-S181 PolarHBondContact O-N 2.91Å; H31-S181 VanDerWaalsContact O-N 3.11Å; H31-S181 PolarHBondContact O-OG 2.79Å; H31-S181 VanDerWaalsContact O-OG 3.09Å
32	W	85.1	Confident	75.4	Confident	5 Å²	5	57 Å²	57	2%	0.019	29%	0.291	C	S	.	.	S	Bend	trans	-86.3	-47.8	176	-71.8	62.6	0	0	0	111.7	A26 T29 F51 L53 V155 M158 S179 F182 A185	A26-W32 HydrophobicContact CB-CZ2 4.07Å; A26-W32 WeakPolarHBondContact O-CZ2 3.4Å; A26-W32 PolarHBondContact O-NE1 3.25Å; T29-W32 VanDerWaalsContact O-CD1 3.27Å; T29-W32 PolarHBondContact O-NE1 2.96Å; W32-F51 VanDerWaalsContact CB-O 3.31Å; W32-F51 WeakPolarHBondContact CB-O 3.18Å; W32-F51 PolarHBondContact N-O 3.13Å; W32-L53 HydrophobicContact CH2-CD1 4.45Å; W32-L53 HydrophobicContact CZ2-CD1 4.29Å; W32-V155 HydrophobicContact CH2-CG2 4.23Å; W32-V155 HydrophobicContact CZ3-CG2 3.78Å; W32-M158 HydrophobicContact CB-CE 4.32Å; W32-M158 HydrophobicContact CE3-CB 4.42Å; W32-M158 HydrophobicContact CE3-CG 4.06Å; W32-S179 PolarHBondContact O-N 3.25Å; W32-F182 HydrophobicContact CE3-CD2 4.41Å; W32-A185 HydrophobicContact CH2-CB 3.65Å; W32-A185 HydrophobicContact CZ2-CB 4.26Å; W32-A185 HydrophobicContact CZ3-CB 3.97Å
33	A	80.5	Confident	73.5	Confident	2 Å²	2	60.9 Å²	60.9	2%	0.017	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.8	175.9	0	0	0	0	0	110.4	L35 F51 V162 Y177	A33-L35 HydrophobicContact CB-CD1 4.13Å; A33-F51 HydrophobicContact CB-CB 4.38Å; A33-F51 PolarHBondContact O-N 2.75Å; A33-V162 HydrophobicContact CB-CG2 4.14Å; A33-Y177 CarbonylContact C-O 3.6Å; A33-Y177 WeakPolarHBondContact CA-O 3.31Å
34	V	78.6	Confident	71.8	Confident	10 Å²	10	66.2 Å²	66.2	6%	0.061	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.9	168	-166.4	0	0	0	0	107.4	A48 A49 I72 Y176 Y177 S179	V34-A48 HydrophobicContact CG1-CB 4.49Å; V34-A49 WeakPolarHBondContact CA-O 3.44Å; V34-I72 HydrophobicContact CG1-CD1 4.42Å; V34-Y176 WeakPolarHBondContact O-CA 3.46Å; V34-Y177 PolarHBondContact N-O 3.37Å; V34-Y177 PolarHBondContact O-N 3.48Å; V34-S179 WeakPolarHBondContact CG2-OG 3.23Å
35	L	71.5	Confident	70.4	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.2	171	-80.7	69.5	0	0	0	109.3	A33 A49 F51 V162 M165 W173	A33-L35 HydrophobicContact CB-CD1 4.13Å; L35-A49 HydrophobicContact CB-CB 4.48Å; L35-A49 PolarHBondContact N-O 3.42Å; L35-A49 PolarHBondContact O-N 3.11Å; L35-F51 HydrophobicContact CB-CE2 4.1Å; L35-F51 HydrophobicContact CD1-CD2 3.4Å; L35-F51 VanDerWaalsContact CD1-CD2 3.4Å; L35-F51 HydrophobicContact CD1-CE2 3.4Å; L35-F51 HydrophobicContact CD1-CG 4.47Å; L35-F51 HydrophobicContact CD1-CZ 4.47Å; L35-F51 HydrophobicContact CD2-CE2 3.68Å; L35-F51 HydrophobicContact CD2-CZ 4.18Å; L35-F51 HydrophobicContact CG-CD2 4.37Å; L35-F51 HydrophobicContact CG-CE2 3.9Å; L35-V162 HydrophobicContact CD1-CG1 4.38Å; L35-M165 HydrophobicContact CD2-CE 4.43Å; L35-M165 HydrophobicContact CD2-CG 4.35Å; L35-M165 HydrophobicContact CD2-SD 3.22Å; L35-M165 WeakPolarHBondContact CD2-SD 3.3Å; L35-W173 HydrophobicContact CB-CD2 4.27Å; L35-W173 HydrophobicContact CB-CE3 3.71Å; L35-W173 HydrophobicContact CB-CZ3 4.29Å; L35-W173 HydrophobicContact CD2-CB 4.23Å; L35-W173 HydrophobicContact CD2-CG 4.24Å
36	S	68.1	Low	69.1	Low	39 Å²	39	63.3 Å²	63.3	27%	0.273	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.2	173.9	-167.9	0	0	0	0	109.8	W173 E175	S36-W173 VanDerWaalsContact C-CE3 3.43Å; S36-E175 PolarHBondContact N-O 3.03Å; S36-E175 VanDerWaalsContact N-O 3.08Å
37	P	64.7	Low	68	Low	34 Å²	34	66.3 Å²	66.3	22%	0.221	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	154	-179.2	29.7	-22.6	0	0	0	110.2	E47 V172 W173	P37-E47 WeakPolarHBondContact CD-O 3.36Å; P37-E47 VanDerWaalsContact CG-O 3.25Å; P37-E47 WeakPolarHBondContact CG-O 3.32Å; P37-V172 CarbonylContact C-O 3.56Å; P37-W173 HydrophobicContact CB-CD2 3.96Å; P37-W173 HydrophobicContact CB-CE3 3.6Å; P37-W173 HydrophobicContact CB-CH2 4.06Å; P37-W173 HydrophobicContact CB-CZ2 4.39Å; P37-W173 HydrophobicContact CB-CZ3 3.69Å; P37-W173 HydrophobicContact CG-CE3 3.9Å; P37-W173 HydrophobicContact CG-CH2 3.89Å; P37-W173 HydrophobicContact CG-CZ3 3.5Å
38	H	52.3	Low	67.2	Low	103 Å²	103	66.1 Å²	66.1	48%	0.477	35%	0.346	S	S	.	.			trans	-64.6	131.2	166	-163.8	-39	0	0	0	108.3	E40 V172 I174	H38-E40 PolarHBondContact O-N 3.19Å; H38-V172 HydrophobicContact CB-CG1 3.6Å; H38-V172 WeakPolarHBondContact CB-O 3.5Å; H38-V172 PolarHBondContact N-O 3.34Å; H38-V172 VanDerWaalsContact O-CG1 3.22Å; H38-V172 WeakPolarHBondContact O-CG1 3.06Å; H38-I174 HydrophobicContact CB-CD1 3.82Å; H38-I174 HydrophobicContact CB-CG1 4.37Å; H38-I174 WeakPolarHBondContact CD2-CD1 3.36Å
39	M	53.5	Low	66.5	Low	94 Å²	94	61.7 Å²	61.7	46%	0.463	32%	0.32	S	S	.	.			trans	-72.9	97.1	169.4	-63.1	-179.8	-159.5	0	0	108.7	C46 M63 C69	M39-C46 VanDerWaalsContact CE-SG 3.6Å; M39-M63 HydrophobicContact CE-CE 3.2Å; M39-M63 HydrophobicContact SD-CE 3.33Å; M39-M63 WeakPolarHBondContact SD-CE 3.41Å; M39-M63 HydrophobicContact SD-SD 4.28Å; M39-C69 WeakPolarHBondContact CE-SG 3.37Å
40	E	45.3	Very low	66.1	Low	147 Å²	147	61.2 Å²	61.2	69%	0.687	32%	0.315	S	S	*	.			trans	-104.7	102.6	168	-136.5	161.8	-169.9	0	0	108.7	H38	H38-E40 PolarHBondContact O-N 3.19Å
41	H	43.1	Very low	65.9	Low	160 Å²	160	60.5 Å²	60.5	74%	0.741	31%	0.311	S	S	*	.	S	Bend	trans	68.5	105.5	172	-75.5	54.5	0	0	0	118.5	N43	H41-N43 VanDerWaalsContact C-N 3.34Å; H41-N43 PolarHBondContact O-N 3.25Å
42	H	47.5	Very low	65.7	Low	193 Å²	193	58.1 Å²	58.1	89%	0.894	30%	0.3	S	S	*	.			trans	54.9	23.3	142.1	-82.4	30.8	0	0	0	119.4
43	N	54.3	Low	65.3	Low	133 Å²	133	58 Å²	58	71%	0.711	30%	0.3	S	S	*	.			trans	-92.5	136.6	166.2	-83.5	-15	0	0	0	111.7	H41 T45	H41-N43 VanDerWaalsContact C-N 3.34Å; H41-N43 PolarHBondContact O-N 3.25Å; N43-T45 PolarHBondContact O-N 3.07Å; N43-T45 VanDerWaalsContact O-N 3.17Å
44	T	58.4	Low	65.2	Low	114 Å²	114	60.8 Å²	60.8	70%	0.699	31%	0.31	S	S	*	.	S	Bend	trans	-75.1	3.4	-174.9	51.3	0	0	0	0	114.4	M63	T44-M63 WeakPolarHBondContact O-CG 3.36Å; T44-M63 PolarHBondContact O-N 3.48Å; T44-M63 VanDerWaalsContact O-N 3.16Å
45	T	62	Low	65.1	Low	67 Å²	67	64.9 Å²	64.9	41%	0.411	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.3	-171.3	55.2	0	0	0	0	111.7	N43	N43-T45 PolarHBondContact O-N 3.07Å; N43-T45 VanDerWaalsContact O-N 3.17Å
46	C	66.1	Low	65.4	Low	11 Å²	11	66.3 Å²	66.3	7%	0.074	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	140.2	168	-66.3	0	0	0	0	110.8	M39 R60 I61 M63 C69	M39-C46 VanDerWaalsContact CE-SG 3.6Å; C46-R60 CarbonylContact O-C 3.57Å; C46-R60 WeakPolarHBondContact O-CA 3.14Å; C46-I61 HydrophobicContact CB-CB 4.36Å; C46-I61 PolarHBondContact N-O 3.09Å; C46-I61 PolarHBondContact O-N 3.41Å; C46-M63 WeakPolarHBondContact SG-CE 3.32Å; C46-C69 HydrophobicContact CB-CB 3.87Å; C46-C69 WeakPolarHBondContact CB-SG 3.35Å; C46-C69 WeakPolarHBondContact SG-CA 3.32Å; C46-C69 WeakPolarHBondContact SG-CB 3.49Å; C46-C69 CovalentContact SG-SG 2.04Å; C46-C69 PolarHBondContact SG-SG 3.4Å
47	E	67.4	Low	65.8	Low	63 Å²	63	64.6 Å²	64.6	29%	0.294	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.5	171.2	-58.1	-162.6	142.4	0	0	109.6	P37 R60	P37-E47 WeakPolarHBondContact CD-O 3.36Å; P37-E47 VanDerWaalsContact CG-O 3.25Å; P37-E47 WeakPolarHBondContact CG-O 3.32Å; E47-R60 HydrophobicContact CG-CG 4.28Å; E47-R60 IonicContact OE1-CZ 3.17Å; E47-R60 IonicContact OE1-NE 2.76Å; E47-R60 PolarHBondContact OE1-NE 3.22Å; E47-R60 IonicContact OE1-NH2 2.85Å; E47-R60 PolarHBondContact OE1-NH2 3.27Å
48	A	72.1	Confident	66.3	Low	8 Å²	8	65 Å²	65	7%	0.066	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.8	172.3	0	0	0	0	0	109.5	V34 T58 K59 I61	V34-A48 HydrophobicContact CG1-CB 4.49Å; A48-T58 CarbonylContact O-C 3.2Å; A48-T58 WeakPolarHBondContact O-CA 3.48Å; A48-K59 PolarHBondContact N-O 3.23Å; A48-K59 PolarHBondContact O-N 3.35Å; A48-I61 HydrophobicContact CB-CD1 4.46Å
49	A	73.8	Confident	67.4	Low	5 Å²	5	61.6 Å²	61.6	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.8	179.1	0	0	0	0	0	110.8	V34 L35 F51 T58 W173	V34-A49 WeakPolarHBondContact CA-O 3.44Å; L35-A49 HydrophobicContact CB-CB 4.48Å; L35-A49 PolarHBondContact N-O 3.42Å; L35-A49 PolarHBondContact O-N 3.11Å; A49-F51 HydrophobicContact CB-CE2 3.98Å; A49-T58 HydrophobicContact CB-CG2 4.27Å; A49-W173 HydrophobicContact CB-CH2 4.28Å; A49-W173 HydrophobicContact CB-CZ3 4.24Å
50	H	79	Confident	68.2	Low	17 Å²	17	62.2 Å²	62.2	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121	170.9	-66.5	-71.6	0	0	0	109.9	H31 C57	H31-H50 AromaticContact CE1-ND1 3.98Å; H31-H50 AromaticContact ND1-CE1 3.97Å; H31-H50 AromaticContact ND1-ND1 3.54Å; H50-C57 HydrophobicContact CB-CB 4.35Å; H50-C57 PolarHBondContact N-O 3.25Å; H50-C57 PolarHBondContact O-N 2.64Å
51	F	76.3	Confident	69.3	Low	11 Å²	11	55.4 Å²	55.4	5%	0.048	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.3	177.2	-76.5	-94.2	0	0	0	111.1	D30 W32 A33 L35 A49 I56 M158 M165	D30-F51 CarbonylContact C-O 3.59Å; D30-F51 CarbonylContact O-C 3.5Å; W32-F51 VanDerWaalsContact CB-O 3.31Å; W32-F51 WeakPolarHBondContact CB-O 3.18Å; W32-F51 PolarHBondContact N-O 3.13Å; A33-F51 HydrophobicContact CB-CB 4.38Å; A33-F51 PolarHBondContact O-N 2.75Å; L35-F51 HydrophobicContact CB-CE2 4.1Å; L35-F51 HydrophobicContact CD1-CD2 3.4Å; L35-F51 VanDerWaalsContact CD1-CD2 3.4Å; L35-F51 HydrophobicContact CD1-CE2 3.4Å; L35-F51 HydrophobicContact CD1-CG 4.47Å; L35-F51 HydrophobicContact CD1-CZ 4.47Å; L35-F51 HydrophobicContact CD2-CE2 3.68Å; L35-F51 HydrophobicContact CD2-CZ 4.18Å; L35-F51 HydrophobicContact CG-CD2 4.37Å; L35-F51 HydrophobicContact CG-CE2 3.9Å; A49-F51 HydrophobicContact CB-CE2 3.98Å; F51-I56 HydrophobicContact CD1-CD1 4.09Å; F51-I56 HydrophobicContact CD1-CG1 4.45Å; F51-I56 HydrophobicContact CE1-CD1 3.49Å; F51-I56 VanDerWaalsContact CE1-CD1 3.49Å; F51-I56 HydrophobicContact CE1-CG1 4.32Å; F51-I56 HydrophobicContact CE2-CD1 4.17Å; F51-I56 HydrophobicContact CZ-CD1 3.56Å; F51-M158 HydrophobicContact CB-CE 3.59Å; F51-M158 HydrophobicContact CD1-CE 4.42Å; F51-M158 HydrophobicContact CG-CE 4.33Å; F51-M165 HydrophobicContact CD1-CE 4.36Å; F51-M165 HydrophobicContact CE1-CE 3.51Å; F51-M165 HydrophobicContact CE1-SD 4.24Å; F51-M165 HydrophobicContact CE2-CE 4.33Å; F51-M165 HydrophobicContact CE2-SD 4.21Å; F51-M165 HydrophobicContact CZ-CE 3.48Å; F51-M165 VanDerWaalsContact CZ-CE 3.48Å; F51-M165 HydrophobicContact CZ-SD 3.58Å; F51-M165 VanDerWaalsContact CZ-SD 3.58Å
52	G	79.6	Confident	70.3	Confident	2 Å²	2	51.2 Å²	51.2	2%	0.021	26%	0.258	C	S	.	.			trans	-105.4	178.6	163.4	0	0	0	0	0	112.5	D30 R55	D30-G52 VanDerWaalsContact CA-CA 3.48Å; D30-G52 PolarHBondContact O-N 2.83Å; G52-R55 WeakPolarHBondContact CA-O 3.47Å; G52-R55 PolarHBondContact N-O 3.44Å
53	L	76.7	Confident	70.9	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	-75	-32	173.9	-139.1	74.8	0	0	0	112	V27 W32 A107 A108 A111	V27-L53 HydrophobicContact CG1-CD2 4.43Å; W32-L53 HydrophobicContact CH2-CD1 4.45Å; W32-L53 HydrophobicContact CZ2-CD1 4.29Å; L53-A107 HydrophobicContact CD1-CB 4.06Å; L53-A108 HydrophobicContact CD2-CB 4.37Å; L53-A108 HydrophobicContact CG-CB 4.31Å; L53-A111 HydrophobicContact CD2-CB 3.4Å; L53-A111 VanDerWaalsContact CD2-CB 3.4Å
54	W	78.9	Confident	71.1	Confident	59 Å²	59	42.6 Å²	42.6	22%	0.223	22%	0.218	C	C	.	.	S	Bend	trans	-111.5	-31.2	-172.7	-52.7	97.3	0	0	0	113.5	V27 F86 A108 I112	V27-W54 HydrophobicContact CG1-CZ2 4.2Å; V27-W54 PolarHBondContact O-NE1 3.25Å; W54-F86 HydrophobicContact CE3-CE1 4.32Å; W54-F86 HydrophobicContact CE3-CE2 4.05Å; W54-F86 AromaticContact CE3-CZ 3.74Å; W54-F86 HydrophobicContact CE3-CZ 3.74Å; W54-F86 HydrophobicContact CZ3-CE1 4.1Å; W54-F86 HydrophobicContact CZ3-CE2 4.45Å; W54-F86 AromaticContact CZ3-CZ 3.69Å; W54-F86 HydrophobicContact CZ3-CZ 3.69Å; W54-A108 HydrophobicContact CH2-CB 4.39Å; W54-A108 HydrophobicContact CZ3-CB 4.27Å; W54-I112 HydrophobicContact CH2-CD1 3.82Å; W54-I112 HydrophobicContact CH2-CG1 3.79Å; W54-I112 HydrophobicContact CZ2-CG1 4.43Å; W54-I112 HydrophobicContact CZ3-CD1 4.43Å
55	R	77.4	Confident	70.9	Confident	96 Å²	96	45.3 Å²	45.3	36%	0.362	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153	-171.9	-53.3	178.2	-159.4	-159.1	4.9	109.7	G52 Y82	G52-R55 WeakPolarHBondContact CA-O 3.47Å; G52-R55 PolarHBondContact N-O 3.44Å; R55-Y82 HydrophobicContact CG-CD1 3.55Å; R55-Y82 HydrophobicContact CG-CE1 3.61Å; R55-Y82 HydrophobicContact CG-CG 4.09Å; R55-Y82 VanDerWaalsContact NE-CZ 3.29Å; R55-Y82 PolarHBondContact NE-OH 3.41Å; R55-Y82 PolarHBondContact NH1-OH 2.92Å; R55-Y82 VanDerWaalsContact NH1-OH 3.14Å; R55-Y82 PolarHBondContact NH2-OH 3.38Å
56	I	76.5	Confident	70.6	Confident	32 Å²	32	45.6 Å²	45.6	16%	0.164	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.6	164.5	-169.4	171	0	0	0	107.4	F51 C80 S81	F51-I56 HydrophobicContact CD1-CD1 4.09Å; F51-I56 HydrophobicContact CD1-CG1 4.45Å; F51-I56 HydrophobicContact CE1-CD1 3.49Å; F51-I56 VanDerWaalsContact CE1-CD1 3.49Å; F51-I56 HydrophobicContact CE1-CG1 4.32Å; F51-I56 HydrophobicContact CE2-CD1 4.17Å; F51-I56 HydrophobicContact CZ-CD1 3.56Å; I56-C80 WeakPolarHBondContact O-CA 3.23Å; I56-S81 WeakPolarHBondContact CG2-OG 3.44Å; I56-S81 PolarHBondContact N-O 3.45Å; I56-S81 PolarHBondContact O-N 3.43Å
57	C	76.6	Confident	70.2	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113.8	178.1	-71.4	0	0	0	0	109	H50 N79 C80	H50-C57 HydrophobicContact CB-CB 4.35Å; H50-C57 PolarHBondContact N-O 3.25Å; H50-C57 PolarHBondContact O-N 2.64Å; C57-N79 CarbonylContact C-O 3.57Å; C57-N79 WeakPolarHBondContact CA-O 3.19Å; C57-C80 HydrophobicContact CB-CB 4.19Å; C57-C80 WeakPolarHBondContact CB-SG 3.39Å; C57-C80 WeakPolarHBondContact SG-CB 3.46Å; C57-C80 CovalentContact SG-SG 2.04Å; C57-C80 PolarHBondContact SG-SG 3.46Å
58	T	76	Confident	69.6	Low	42 Å²	42	54 Å²	54	26%	0.258	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138	170.6	56.1	0	0	0	0	109.2	A48 A49 N79	A48-T58 CarbonylContact O-C 3.2Å; A48-T58 WeakPolarHBondContact O-CA 3.48Å; A49-T58 HydrophobicContact CB-CG2 4.27Å; T58-N79 PolarHBondContact N-O 3.37Å; T58-N79 PolarHBondContact O-N 3.02Å; T58-N79 PolarHBondContact OG1-O 3.43Å
59	K	74.6	Confident	69	Low	31 Å²	31	55.8 Å²	55.8	14%	0.135	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.3	178.1	-172.7	176.8	-179.1	179.3	0	108.8	A48 I61 I72 L74 E77	A48-K59 PolarHBondContact N-O 3.23Å; A48-K59 PolarHBondContact O-N 3.35Å; K59-I61 HydrophobicContact CD-CG1 4.44Å; K59-I61 HydrophobicContact CG-CG1 4.21Å; K59-I72 PolarHBondContact NZ-O 2.98Å; K59-L74 WeakPolarHBondContact CE-O 3.46Å; K59-L74 PolarHBondContact NZ-O 2.99Å; K59-E77 WeakPolarHBondContact CA-O 3.49Å
60	R	70.9	Confident	68.3	Low	108 Å²	108	55.9 Å²	55.9	41%	0.408	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121	174.2	-63.2	-170.7	166.2	172.3	-0.6	109.3	C46 E47 G76 E77	C46-R60 CarbonylContact O-C 3.57Å; C46-R60 WeakPolarHBondContact O-CA 3.14Å; E47-R60 HydrophobicContact CG-CG 4.28Å; E47-R60 IonicContact OE1-CZ 3.17Å; E47-R60 IonicContact OE1-NE 2.76Å; E47-R60 PolarHBondContact OE1-NE 3.22Å; E47-R60 IonicContact OE1-NH2 2.85Å; E47-R60 PolarHBondContact OE1-NH2 3.27Å; R60-G76 WeakPolarHBondContact O-CA 3.4Å; R60-E77 PolarHBondContact N-O 2.84Å
61	I	69.1	Low	67.3	Low	3 Å²	3	58.9 Å²	58.9	2%	0.015	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.6	-179.2	-53.4	172.1	0	0	0	107.2	C46 A48 K59	C46-I61 HydrophobicContact CB-CB 4.36Å; C46-I61 PolarHBondContact N-O 3.09Å; C46-I61 PolarHBondContact O-N 3.41Å; A48-I61 HydrophobicContact CB-CD1 4.46Å; K59-I61 HydrophobicContact CD-CG1 4.44Å; K59-I61 HydrophobicContact CG-CG1 4.21Å
62	P	62.7	Low	66.5	Low	72 Å²	72	62.5 Å²	62.5	47%	0.468	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	143.2	173	27.5	-32.5	0	0	0	110.2
63	M	60.4	Low	65.4	Low	57 Å²	57	68.3 Å²	68.3	28%	0.281	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-60.6	140.8	174.7	-72.8	-123.2	101	0	0	111.1	M39 T44 C46	M39-M63 HydrophobicContact CE-CE 3.2Å; M39-M63 HydrophobicContact SD-CE 3.33Å; M39-M63 WeakPolarHBondContact SD-CE 3.41Å; M39-M63 HydrophobicContact SD-SD 4.28Å; T44-M63 WeakPolarHBondContact O-CG 3.36Å; T44-M63 PolarHBondContact O-N 3.48Å; T44-M63 VanDerWaalsContact O-N 3.16Å; C46-M63 WeakPolarHBondContact SG-CE 3.32Å
64	D	58.3	Low	64.4	Low	89 Å²	89	71.2 Å²	71.2	48%	0.476	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-82.1	157.6	165.6	-160.7	5.2	0	0	0	109.5	S66 K67 T68	D64-S66 PolarHBondContact O-N 3.44Å; D64-K67 PolarHBondContact O-N 3.41Å; D64-T68 PolarHBondContact N-O 3.34Å
65	D	55	Low	63.2	Low	171 Å²	171	74.3 Å²	74.3	91%	0.914	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.2	-174	-80.5	-26.3	0	0	0	113.4
66	S	55.3	Low	62.3	Low	72 Å²	72	71.2 Å²	71.2	50%	0.503	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	8.6	176.8	57.8	0	0	0	0	115.7	D64 T68	D64-S66 PolarHBondContact O-N 3.44Å; S66-T68 PolarHBondContact O-N 2.83Å; S66-T68 VanDerWaalsContact O-N 3.12Å; S66-T68 PolarHBondContact OG-OG1 2.91Å
67	K	56.9	Low	61.8	Low	173 Å²	173	76.9 Å²	76.9	75%	0.752	43%	0.428	S	S	*	.	S	Bend	trans	59.1	19	-177.4	-55.6	176	178.6	175.4	0	114.1	D64	D64-K67 PolarHBondContact O-N 3.41Å
68	T	54.6	Low	61.5	Low	79 Å²	79	83.1 Å²	83.1	49%	0.485	46%	0.455	S	S	.	.	S	Bend	trans	-110.5	143.8	172.6	48.6	0	0	0	0	108.4	D64 S66 G70	D64-T68 PolarHBondContact N-O 3.34Å; S66-T68 PolarHBondContact O-N 2.83Å; S66-T68 VanDerWaalsContact O-N 3.12Å; S66-T68 PolarHBondContact OG-OG1 2.91Å; T68-G70 PolarHBondContact O-N 3.32Å
69	C	59.9	Low	61.5	Low	45 Å²	45	86.3 Å²	86.3	30%	0.304	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-59.2	125.7	172.3	-56.3	0	0	0	0	108.7	M39 C46	M39-C69 WeakPolarHBondContact CE-SG 3.37Å; C46-C69 HydrophobicContact CB-CB 3.87Å; C46-C69 WeakPolarHBondContact CB-SG 3.35Å; C46-C69 WeakPolarHBondContact SG-CA 3.32Å; C46-C69 WeakPolarHBondContact SG-CB 3.49Å; C46-C69 CovalentContact SG-SG 2.04Å; C46-C69 PolarHBondContact SG-SG 3.4Å
70	G	59.6	Low	61.7	Low	6 Å²	6	87.2 Å²	87.2	6%	0.062	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-58.5	164.3	172.6	0	0	0	0	0	111.3	T68 I72	T68-G70 PolarHBondContact O-N 3.32Å; G70-I72 PolarHBondContact O-N 3.07Å
71	P	58.3	Low	61.7	Low	81 Å²	81	83.7 Å²	83.7	53%	0.526	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-56.1	138.3	-175.4	16.5	-25.1	0	0	0	111.6	T73 L74	P71-T73 PolarHBondContact O-N 3.06Å; P71-L74 HydrophobicContact CB-CD1 4.33Å; P71-L74 HydrophobicContact CG-CD1 3.47Å; P71-L74 VanDerWaalsContact CG-CD1 3.47Å; P71-L74 VanDerWaalsContact O-CD1 3.3Å; P71-L74 WeakPolarHBondContact O-CD1 3.45Å; P71-L74 PolarHBondContact O-N 3.34Å
72	I	58.8	Low	61.6	Low	87 Å²	87	88.6 Å²	88.6	45%	0.446	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-13.4	-175.2	-56.8	161.4	0	0	0	112.2	V34 K59 G70	V34-I72 HydrophobicContact CG1-CD1 4.42Å; K59-I72 PolarHBondContact NZ-O 2.98Å; G70-I72 PolarHBondContact O-N 3.07Å
73	T	56.8	Low	61.4	Low	124 Å²	124	87.1 Å²	87.1	76%	0.761	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.4	174.1	49.7	0	0	0	0	114.9	P71	P71-T73 PolarHBondContact O-N 3.06Å
74	L	55.4	Low	60.9	Low	65 Å²	65	92 Å²	92	34%	0.34	49%	0.492	S	S	.	.	S	Bend	trans	-63.3	139.4	178.2	-94.8	76	0	0	0	111.8	K59 P71 G76	K59-L74 WeakPolarHBondContact CE-O 3.46Å; K59-L74 PolarHBondContact NZ-O 2.99Å; P71-L74 HydrophobicContact CB-CD1 4.33Å; P71-L74 HydrophobicContact CG-CD1 3.47Å; P71-L74 VanDerWaalsContact CG-CD1 3.47Å; P71-L74 VanDerWaalsContact O-CD1 3.3Å; P71-L74 WeakPolarHBondContact O-CD1 3.45Å; P71-L74 PolarHBondContact O-N 3.34Å; L74-G76 PolarHBondContact O-N 3.48Å
75	P	53.1	Low	60.3	Low	124 Å²	124	93.6 Å²	93.6	81%	0.805	50%	0.496	S	S	*	.			trans	-65.5	124.2	174	27.4	-31.6	0	0	0	109.6
76	G	60	Low	59.9	Low	30 Å²	30	90.3 Å²	90.3	31%	0.309	47%	0.474	S	S	.	.			trans	-143.8	164.2	179.7	0	0	0	0	0	109.7	R60 L74 K78	R60-G76 WeakPolarHBondContact O-CA 3.4Å; L74-G76 PolarHBondContact O-N 3.48Å; G76-K78 PolarHBondContact O-N 2.91Å; G76-K78 VanDerWaalsContact O-N 3.16Å
77	E	65.2	Low	59.1	Low	151 Å²	151	91.6 Å²	91.6	71%	0.706	48%	0.475	S	S	*	.			trans	-60	120.5	177.1	-72.5	-176.2	163.7	0	0	109.5	K59 R60	K59-E77 WeakPolarHBondContact CA-O 3.49Å; R60-E77 PolarHBondContact N-O 2.84Å
78	K	70.9	Confident	58.6	Low	136 Å²	136	89 Å²	89	59%	0.591	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	106.3	-179.2	-179	174.4	175.7	174.2	0	107.9	G76 C80	G76-K78 PolarHBondContact O-N 2.91Å; G76-K78 VanDerWaalsContact O-N 3.16Å; K78-C80 WeakPolarHBondContact CE-SG 3.36Å
79	N	76.8	Confident	58.1	Low	108 Å²	108	88.7 Å²	88.7	58%	0.578	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.5	173	-166	-1.2	0	0	0	108.5	C57 T58	C57-N79 CarbonylContact C-O 3.57Å; C57-N79 WeakPolarHBondContact CA-O 3.19Å; T58-N79 PolarHBondContact N-O 3.37Å; T58-N79 PolarHBondContact O-N 3.02Å; T58-N79 PolarHBondContact OG1-O 3.43Å
80	C	78.3	Confident	57.2	Low	50 Å²	50	93.4 Å²	93.4	34%	0.338	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.2	178.6	-67.4	0	0	0	0	109.3	I56 C57 K78	I56-C80 WeakPolarHBondContact O-CA 3.23Å; C57-C80 HydrophobicContact CB-CB 4.19Å; C57-C80 WeakPolarHBondContact CB-SG 3.39Å; C57-C80 WeakPolarHBondContact SG-CB 3.46Å; C57-C80 CovalentContact SG-SG 2.04Å; C57-C80 PolarHBondContact SG-SG 3.46Å; K78-C80 WeakPolarHBondContact CE-SG 3.36Å
81	S	70.3	Confident	56.5	Low	35 Å²	35	99 Å²	99	25%	0.245	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.5	173.8	58.1	0	0	0	0	109.9	I56	I56-S81 WeakPolarHBondContact CG2-OG 3.44Å; I56-S81 PolarHBondContact N-O 3.45Å; I56-S81 PolarHBondContact O-N 3.43Å
82	Y	66.4	Low	55.6	Low	105 Å²	105	96.9 Å²	96.9	41%	0.412	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	150	167.4	-69.5	-97.6	0	0	0	108.9	R55 R84	R55-Y82 HydrophobicContact CG-CD1 3.55Å; R55-Y82 HydrophobicContact CG-CE1 3.61Å; R55-Y82 HydrophobicContact CG-CG 4.09Å; R55-Y82 VanDerWaalsContact NE-CZ 3.29Å; R55-Y82 PolarHBondContact NE-OH 3.41Å; R55-Y82 PolarHBondContact NH1-OH 2.92Å; R55-Y82 VanDerWaalsContact NH1-OH 3.14Å; R55-Y82 PolarHBondContact NH2-OH 3.38Å; Y82-R84 PolarHBondContact O-N 3.39Å
83	F	59.9	Low	54.9	Low	41 Å²	41	100.7 Å²	100.7	18%	0.18	55%	0.548	C	S	.	.			trans	-56.9	128.6	167	-72.1	-75.2	0	0	0	109.2	H85 F86	F83-H85 PolarHBondContact O-N 2.88Å; F83-F86 PolarHBondContact O-N 3.22Å
84	R	49.9	Very low	54.2	Low	160 Å²	160	100.5 Å²	100.5	60%	0.604	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-16	-172	-159	178.9	179.7	158.5	0.5	115.4	Y82 F86	Y82-R84 PolarHBondContact O-N 3.39Å; R84-F86 VanDerWaalsContact C-N 3.29Å; R84-F86 PolarHBondContact O-N 3.5Å
85	H	45	Very low	53.6	Low	122 Å²	122	102.3 Å²	102.3	57%	0.565	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.9	173.4	-171.3	62	0	0	0	113.7	F83	F83-H85 PolarHBondContact O-N 2.88Å
86	F	46.3	Very low	52.8	Low	103 Å²	103	104 Å²	104	45%	0.452	54%	0.544	S	S	.	.	S	Bend	trans	-92.7	-12.4	-176.5	-65.8	-74	0	0	0	114.4	W54 F83 R84	W54-F86 HydrophobicContact CE3-CE1 4.32Å; W54-F86 HydrophobicContact CE3-CE2 4.05Å; W54-F86 AromaticContact CE3-CZ 3.74Å; W54-F86 HydrophobicContact CE3-CZ 3.74Å; W54-F86 HydrophobicContact CZ3-CE1 4.1Å; W54-F86 HydrophobicContact CZ3-CE2 4.45Å; W54-F86 AromaticContact CZ3-CZ 3.69Å; W54-F86 HydrophobicContact CZ3-CZ 3.69Å; F83-F86 PolarHBondContact O-N 3.22Å; R84-F86 VanDerWaalsContact C-N 3.29Å; R84-F86 PolarHBondContact O-N 3.5Å
87	N	38.7	Very low	52.1	Low	98 Å²	98	105.4 Å²	105.4	52%	0.524	54%	0.541	S	S	.	.			trans	-153.2	91.8	177	-148	-2.4	0	0	0	111.3	G89	N87-G89 VanDerWaalsContact C-N 3.34Å; N87-G89 PolarHBondContact O-N 3.38Å
88	P	46.2	Very low	51	Low	118 Å²	118	103.5 Å²	103.5	77%	0.766	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	78.8	-178.7	31.7	-32.6	0	0	0	110.4
89	G	44.8	Very low	49.7	Very low	73 Å²	73	101.1 Å²	101.1	75%	0.753	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-171.1	-17.1	178.7	0	0	0	0	0	117.1	N87	N87-G89 VanDerWaalsContact C-N 3.34Å; N87-G89 PolarHBondContact O-N 3.38Å
90	E	41	Very low	48.5	Very low	144 Å²	144	97.3 Å²	97.3	67%	0.673	52%	0.516	S	S	*	.			trans	-111.2	129	-171.5	-158.5	160.3	-169.1	0	0	111.8	S92	E90-S92 VanDerWaalsContact C-N 3.32Å; E90-S92 PolarHBondContact O-N 2.86Å
91	S	44.6	Very low	47.5	Very low	124 Å²	124	101 Å²	101	87%	0.867	53%	0.526	S	S	*	.			trans	-69.9	83.3	179.2	52.7	0	0	0	0	110.4
92	S	39.8	Very low	47.2	Very low	37 Å²	37	105.6 Å²	105.6	26%	0.259	54%	0.543	S	S	.	.			trans	-95.8	140.5	165.3	41.8	0	0	0	0	109.3	E90 I94	E90-S92 VanDerWaalsContact C-N 3.32Å; E90-S92 PolarHBondContact O-N 2.86Å; S92-I94 PolarHBondContact O-N 2.98Å
93	E	44.6	Very low	47.3	Very low	166 Å²	166	103.9 Å²	103.9	78%	0.776	54%	0.537	S	S	*	.			trans	-48.7	125	-176.2	-66.5	-177.4	159.6	0	0	110.7	F95	E93-F95 VanDerWaalsContact C-N 3.33Å; E93-F95 PolarHBondContact O-N 3.24Å
94	I	40.7	Very low	47.9	Very low	120 Å²	120	102.6 Å²	102.6	62%	0.615	53%	0.533	S	S	*	.			trans	-71.2	89.6	-174.7	-64.9	164.5	0	0	0	106.9	S92 E96	S92-I94 PolarHBondContact O-N 2.98Å; I94-E96 HydrophobicContact CG2-CB 3.75Å; I94-E96 HydrophobicContact CG2-CG 3.97Å; I94-E96 PolarHBondContact O-N 3.47Å; I94-E96 VanDerWaalsContact O-N 3.08Å
95	F	42.7	Very low	49.1	Very low	103 Å²	103	97.9 Å²	97.9	45%	0.452	52%	0.519	S	S	.	.			trans	-77.7	86.7	162.3	-139.7	-93.7	0	0	0	106.8	E93 F97 Q100 T171 W173	E93-F95 VanDerWaalsContact C-N 3.33Å; E93-F95 PolarHBondContact O-N 3.24Å; F95-F97 AromaticContact CD1-CD2 3.67Å; F95-F97 HydrophobicContact CD1-CD2 3.67Å; F95-F97 HydrophobicContact CD1-CE2 4.24Å; F95-F97 AromaticContact CE1-CD2 3.61Å; F95-F97 HydrophobicContact CE1-CD2 3.61Å; F95-F97 AromaticContact CE1-CE2 3.85Å; F95-F97 HydrophobicContact CE1-CE2 3.85Å; F95-F97 HydrophobicContact CZ-CE2 4.45Å; F95-F97 PolarHBondContact O-N 3.28Å; F95-Q100 VanDerWaalsContact CD1-OE1 3.29Å; F95-T171 HydrophobicContact CE1-CG2 4.31Å; F95-T171 HydrophobicContact CZ-CG2 4.29Å; F95-W173 AromaticContact CZ-NE1 3.94Å
96	E	37	Very low	51	Low	161 Å²	161	94.7 Å²	94.7	75%	0.752	51%	0.51	S	S	*	.			trans	-77.1	55.3	-170.3	-150.4	162.5	-179.8	0	0	112.7	I94	I94-E96 HydrophobicContact CG2-CB 3.75Å; I94-E96 HydrophobicContact CG2-CG 3.97Å; I94-E96 PolarHBondContact O-N 3.47Å; I94-E96 VanDerWaalsContact O-N 3.08Å
97	F	45.5	Very low	52.8	Low	58 Å²	58	89.8 Å²	89.8	25%	0.254	49%	0.489	S	S	.	.			trans	-112.7	99.9	167.7	-68	-76.8	0	0	0	109.5	F95 T99 Q100 D170 T171	F95-F97 AromaticContact CD1-CD2 3.67Å; F95-F97 HydrophobicContact CD1-CD2 3.67Å; F95-F97 HydrophobicContact CD1-CE2 4.24Å; F95-F97 AromaticContact CE1-CD2 3.61Å; F95-F97 HydrophobicContact CE1-CD2 3.61Å; F95-F97 AromaticContact CE1-CE2 3.85Å; F95-F97 HydrophobicContact CE1-CE2 3.85Å; F95-F97 HydrophobicContact CZ-CE2 4.45Å; F95-F97 PolarHBondContact O-N 3.28Å; F97-T99 PolarHBondContact O-N 3.06Å; F97-T99 VanDerWaalsContact O-N 3.1Å; F97-Q100 HydrophobicContact CB-CB 4.23Å; F97-Q100 WeakPolarHBondContact O-CB 3.27Å; F97-Q100 PolarHBondContact O-N 3.2Å; F97-D170 HydrophobicContact CE1-CB 4.19Å; F97-D170 HydrophobicContact CZ-CB 3.62Å; F97-T171 HydrophobicContact CE2-CG2 3.91Å; F97-T171 HydrophobicContact CZ-CG2 4.2Å
98	T	42.1	Very low	54.9	Low	112 Å²	112	85.3 Å²	85.3	69%	0.687	47%	0.466	S	S	*	.	H	α-helix	trans	-51.8	-29.6	175.5	46.4	0	0	0	0	112.6
99	T	43.6	Very low	56.9	Low	85 Å²	85	81.6 Å²	81.6	52%	0.521	45%	0.445	S	S	.	.	H	α-helix	trans	-73.8	-33.4	178	53.2	0	0	0	0	113.6	F97 K101 Y103	F97-T99 PolarHBondContact O-N 3.06Å; F97-T99 VanDerWaalsContact O-N 3.1Å; T99-K101 VanDerWaalsContact C-N 3.35Å; T99-Y103 WeakPolarHBondContact O-CD2 3.19Å
100	Q	50.9	Low	59.2	Low	29 Å²	29	79.9 Å²	79.9	14%	0.136	42%	0.418	C	S	.	.	H	α-helix	trans	-67.8	-36	178.4	-177.4	-174.9	-0.8	0	0	112.2	F95 F97 E102 S104	F95-Q100 VanDerWaalsContact CD1-OE1 3.29Å; F97-Q100 HydrophobicContact CB-CB 4.23Å; F97-Q100 WeakPolarHBondContact O-CB 3.27Å; F97-Q100 PolarHBondContact O-N 3.2Å; Q100-E102 VanDerWaalsContact C-N 3.35Å; Q100-E102 PolarHBondContact O-N 3.27Å; Q100-S104 PolarHBondContact O-N 3.14Å; Q100-S104 PolarHBondContact O-OG 3.42Å
101	K	57.6	Low	61.4	Low	126 Å²	126	73.2 Å²	73.2	55%	0.548	39%	0.388	S	S	.	.	H	α-helix	trans	-62.2	-39.1	-177.6	-176.5	179.3	176.1	-174.7	0	112.4	T99 S104 I105	T99-K101 VanDerWaalsContact C-N 3.35Å; K101-S104 PolarHBondContact O-OG 3.41Å; K101-I105 HydrophobicContact CG-CD1 3.82Å; K101-I105 WeakPolarHBondContact O-CB 3.26Å; K101-I105 WeakPolarHBondContact O-CD1 3.22Å; K101-I105 WeakPolarHBondContact O-CG1 3.29Å; K101-I105 PolarHBondContact O-N 3.37Å
102	E	63.3	Low	63.7	Low	132 Å²	132	71.8 Å²	71.8	62%	0.617	37%	0.369	S	S	*	.	H	α-helix	trans	-77	-38.5	-173.1	-63.9	-175.9	166.4	0	0	112.8	Q100 S106	Q100-E102 VanDerWaalsContact C-N 3.35Å; Q100-E102 PolarHBondContact O-N 3.27Å; E102-S106 WeakPolarHBondContact O-CB 3.45Å; E102-S106 PolarHBondContact O-N 3.43Å; E102-S106 PolarHBondContact O-OG 3.44Å
103	Y	69.3	Low	66.2	Low	69 Å²	69	76.5 Å²	76.5	27%	0.271	39%	0.385	S	S	.	.	H	α-helix	trans	-73.3	-38.8	179.5	-68.9	-77.2	0	0	0	112.9	T99 S106 A107 V157 R164	T99-Y103 WeakPolarHBondContact O-CD2 3.19Å; Y103-S106 PolarHBondContact O-N 3.24Å; Y103-A107 PolarHBondContact O-N 2.97Å; Y103-V157 HydrophobicContact CD1-CG1 4.28Å; Y103-V157 WeakPolarHBondContact O-CG1 3.36Å; Y103-R164 VanDerWaalsContact CZ-NH1 3.27Å; Y103-R164 PolarHBondContact OH-NH1 2.96Å
104	S	72.2	Confident	68.6	Low	14 Å²	14	68.7 Å²	68.7	10%	0.098	35%	0.349	C	S	.	.	H	α-helix	trans	-66.7	-40.1	176.1	62.8	0	0	0	0	111.9	Q100 K101 S106 A107 A108	Q100-S104 PolarHBondContact O-N 3.14Å; Q100-S104 PolarHBondContact O-OG 3.42Å; K101-S104 PolarHBondContact O-OG 3.41Å; S104-S106 VanDerWaalsContact C-N 3.33Å; S104-S106 PolarHBondContact O-N 2.93Å; S104-A107 PolarHBondContact O-N 3.45Å; S104-A108 PolarHBondContact O-N 3.31Å
105	I	75.9	Confident	71.1	Confident	62 Å²	62	64.8 Å²	64.8	32%	0.318	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-44.5	173.2	-70.9	170.4	0	0	0	110.8	K101 A108 A109	K101-I105 HydrophobicContact CG-CD1 3.82Å; K101-I105 WeakPolarHBondContact O-CB 3.26Å; K101-I105 WeakPolarHBondContact O-CD1 3.22Å; K101-I105 WeakPolarHBondContact O-CG1 3.29Å; K101-I105 PolarHBondContact O-N 3.37Å; I105-A108 PolarHBondContact O-N 3.19Å; I105-A109 WeakPolarHBondContact O-CB 3.46Å; I105-A109 PolarHBondContact O-N 3.14Å
106	S	83.3	Confident	73.6	Confident	54 Å²	54	61.3 Å²	61.3	38%	0.378	32%	0.323	S	S	.	.	H	α-helix	trans	-62.6	-44.2	178.8	-60.2	0	0	0	0	111.6	E102 Y103 S104 A108 A109 I110	E102-S106 WeakPolarHBondContact O-CB 3.45Å; E102-S106 PolarHBondContact O-N 3.43Å; E102-S106 PolarHBondContact O-OG 3.44Å; Y103-S106 PolarHBondContact O-N 3.24Å; S104-S106 VanDerWaalsContact C-N 3.33Å; S104-S106 PolarHBondContact O-N 2.93Å; S106-A108 PolarHBondContact O-N 3.03Å; S106-A109 PolarHBondContact O-N 3.21Å; S106-I110 WeakPolarHBondContact O-CD1 3.39Å; S106-I110 VanDerWaalsContact O-CG1 3.24Å; S106-I110 WeakPolarHBondContact O-CG1 3.44Å; S106-I110 PolarHBondContact O-N 3.4Å
107	A	84.1	Confident	76.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-41.9	177.6	0	0	0	0	0	112.4	L53 Y103 S104 A111 S154 V157	L53-A107 HydrophobicContact CD1-CB 4.06Å; Y103-A107 PolarHBondContact O-N 2.97Å; S104-A107 PolarHBondContact O-N 3.45Å; A107-A111 WeakPolarHBondContact O-CB 3.4Å; A107-A111 PolarHBondContact O-N 2.89Å; A107-S154 PolarHBondContact O-OG 3.05Å; A107-V157 HydrophobicContact CB-CB 4.22Å; A107-V157 HydrophobicContact CB-CG1 3.84Å
108	A	84.7	Confident	78.8	Confident	5 Å²	5	54.3 Å²	54.3	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-66.5	-42.9	176.5	0	0	0	0	0	112.3	L53 W54 S104 I105 S106 I110 A111 I112	L53-A108 HydrophobicContact CD2-CB 4.37Å; L53-A108 HydrophobicContact CG-CB 4.31Å; W54-A108 HydrophobicContact CH2-CB 4.39Å; W54-A108 HydrophobicContact CZ3-CB 4.27Å; S104-A108 PolarHBondContact O-N 3.31Å; I105-A108 PolarHBondContact O-N 3.19Å; S106-A108 PolarHBondContact O-N 3.03Å; A108-I110 PolarHBondContact O-N 3.48Å; A108-A111 PolarHBondContact O-N 3.24Å; A108-I112 WeakPolarHBondContact O-CG1 3.47Å; A108-I112 PolarHBondContact O-N 3.46Å
109	A	88.1	Confident	81.4	Confident	39 Å²	39	53.7 Å²	53.7	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-44.4	176.2	0	0	0	0	0	111.9	I105 S106 A111 I112 F113	I105-A109 WeakPolarHBondContact O-CB 3.46Å; I105-A109 PolarHBondContact O-N 3.14Å; S106-A109 PolarHBondContact O-N 3.21Å; A109-A111 VanDerWaalsContact C-N 3.34Å; A109-A111 PolarHBondContact O-N 3.21Å; A109-I112 WeakPolarHBondContact O-CB 3.29Å; A109-I112 PolarHBondContact O-N 3.03Å; A109-F113 WeakPolarHBondContact O-CD2 3.35Å; A109-F113 PolarHBondContact O-N 3.29Å; A109-F113 VanDerWaalsContact O-N 3.12Å
110	I	91.4	Very high	83.8	Confident	38 Å²	38	53.5 Å²	53.5	20%	0.195	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-38.6	177.4	-65.5	162.3	0	0	0	111.3	S106 A108 I112 F113 S114 C150 V153 V157	S106-I110 WeakPolarHBondContact O-CD1 3.39Å; S106-I110 VanDerWaalsContact O-CG1 3.24Å; S106-I110 WeakPolarHBondContact O-CG1 3.44Å; S106-I110 PolarHBondContact O-N 3.4Å; A108-I110 PolarHBondContact O-N 3.48Å; I110-I112 VanDerWaalsContact C-N 3.32Å; I110-I112 PolarHBondContact O-N 3.45Å; I110-F113 PolarHBondContact O-N 2.98Å; I110-S114 PolarHBondContact O-N 3.33Å; I110-C150 HydrophobicContact CG2-CB 3.98Å; I110-C150 WeakPolarHBondContact CG2-O 3.11Å; I110-V153 HydrophobicContact CD1-CG1 3.74Å; I110-V153 HydrophobicContact CG2-CB 4.3Å; I110-V157 HydrophobicContact CD1-CG2 4.28Å
111	A	88.9	Confident	85.9	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.033	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-36.8	174.7	0	0	0	0	0	112.2	V27 L53 A107 A108 A109 S114 L115	V27-A111 HydrophobicContact CG1-CB 4.46Å; V27-A111 HydrophobicContact CG2-CB 4.16Å; L53-A111 HydrophobicContact CD2-CB 3.4Å; L53-A111 VanDerWaalsContact CD2-CB 3.4Å; A107-A111 WeakPolarHBondContact O-CB 3.4Å; A107-A111 PolarHBondContact O-N 2.89Å; A108-A111 PolarHBondContact O-N 3.24Å; A109-A111 VanDerWaalsContact C-N 3.34Å; A109-A111 PolarHBondContact O-N 3.21Å; A111-S114 WeakPolarHBondContact O-CB 3.11Å; A111-S114 PolarHBondContact O-N 3.42Å; A111-L115 WeakPolarHBondContact O-CG 3.46Å; A111-L115 PolarHBondContact O-N 2.94Å
112	I	91.1	Very high	87.6	Confident	93 Å²	93	47.9 Å²	47.9	48%	0.477	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-45.9	172.6	-66.6	161.1	0	0	0	110.8	W54 A108 A109 I110 S114 L115 G116	W54-I112 HydrophobicContact CH2-CD1 3.82Å; W54-I112 HydrophobicContact CH2-CG1 3.79Å; W54-I112 HydrophobicContact CZ2-CG1 4.43Å; W54-I112 HydrophobicContact CZ3-CD1 4.43Å; A108-I112 WeakPolarHBondContact O-CG1 3.47Å; A108-I112 PolarHBondContact O-N 3.46Å; A109-I112 WeakPolarHBondContact O-CB 3.29Å; A109-I112 PolarHBondContact O-N 3.03Å; I110-I112 VanDerWaalsContact C-N 3.32Å; I110-I112 PolarHBondContact O-N 3.45Å; I112-S114 VanDerWaalsContact C-N 3.3Å; I112-S114 PolarHBondContact O-N 2.86Å; I112-L115 PolarHBondContact O-N 3.17Å; I112-G116 PolarHBondContact O-N 3.42Å
113	F	93.7	Very high	89	Confident	136 Å²	136	45.8 Å²	45.8	60%	0.596	25%	0.249	S	C	*	.	H	α-helix	trans	-60.3	-41.4	175.9	-72.9	-63.5	0	0	0	112	A109 I110 L115 G116 F117	A109-F113 WeakPolarHBondContact O-CD2 3.35Å; A109-F113 PolarHBondContact O-N 3.29Å; A109-F113 VanDerWaalsContact O-N 3.12Å; I110-F113 PolarHBondContact O-N 2.98Å; F113-L115 PolarHBondContact O-N 3.37Å; F113-G116 PolarHBondContact O-N 3.1Å; F113-F117 VanDerWaalsContact O-CD2 3.28Å; F113-F117 WeakPolarHBondContact O-CD2 3.38Å; F113-F117 PolarHBondContact O-N 3.25Å
114	S	94.1	Very high	90.1	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-57.1	-48.4	173.5	178.7	0	0	0	0	111.9	I110 A111 I112 G116 F117 V118 A147 I151	I110-S114 PolarHBondContact O-N 3.33Å; A111-S114 WeakPolarHBondContact O-CB 3.11Å; A111-S114 PolarHBondContact O-N 3.42Å; I112-S114 VanDerWaalsContact C-N 3.3Å; I112-S114 PolarHBondContact O-N 2.86Å; S114-G116 VanDerWaalsContact C-N 3.3Å; S114-G116 PolarHBondContact O-N 3.45Å; S114-F117 PolarHBondContact O-N 3.07Å; S114-V118 WeakPolarHBondContact O-CG2 3.47Å; S114-V118 PolarHBondContact O-N 3.32Å; S114-A147 PolarHBondContact OG-O 3.3Å; S114-A147 VanDerWaalsContact OG-O 3.12Å; S114-I151 VanDerWaalsContact OG-CG1 3.27Å; S114-I151 WeakPolarHBondContact OG-CG1 3.33Å
115	L	93.5	Very high	91	Very high	38 Å²	38	43.6 Å²	43.6	20%	0.199	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-40.1	177.1	-68.8	-179	0	0	0	111.8	M24 V27 A111 I112 F113 F117 V118 I119	M24-L115 HydrophobicContact SD-CD1 4.42Å; M24-L115 HydrophobicContact SD-CD2 3.31Å; M24-L115 WeakPolarHBondContact SD-CD2 3.34Å; M24-L115 HydrophobicContact SD-CG 4.49Å; V27-L115 HydrophobicContact CG1-CD1 4.18Å; A111-L115 WeakPolarHBondContact O-CG 3.46Å; A111-L115 PolarHBondContact O-N 2.94Å; I112-L115 PolarHBondContact O-N 3.17Å; F113-L115 PolarHBondContact O-N 3.37Å; L115-F117 PolarHBondContact O-N 3.32Å; L115-V118 PolarHBondContact O-N 2.68Å; L115-I119 VanDerWaalsContact O-CG1 3.27Å; L115-I119 WeakPolarHBondContact O-CG1 3.18Å; L115-I119 PolarHBondContact O-N 3.34Å
116	G	95.3	Very high	91.6	Very high	30 Å²	30	46.2 Å²	46.2	31%	0.309	26%	0.258	S	S	.	.	H	α-helix	trans	-56.8	-46.5	173.3	0	0	0	0	0	112.5	I112 F113 S114 I119 L120	I112-G116 PolarHBondContact O-N 3.42Å; F113-G116 PolarHBondContact O-N 3.1Å; S114-G116 VanDerWaalsContact C-N 3.3Å; S114-G116 PolarHBondContact O-N 3.45Å; G116-I119 PolarHBondContact O-N 3.47Å; G116-L120 WeakPolarHBondContact O-CG 3.31Å; G116-L120 PolarHBondContact O-N 2.97Å
117	F	96.1	Very high	91.8	Very high	61 Å²	61	48.6 Å²	48.6	27%	0.268	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-37.4	176.1	-70.3	-48.7	0	0	0	113.1	F113 S114 L115 I119 L120 G121 F143 F146 A147	F113-F117 VanDerWaalsContact O-CD2 3.28Å; F113-F117 WeakPolarHBondContact O-CD2 3.38Å; F113-F117 PolarHBondContact O-N 3.25Å; S114-F117 PolarHBondContact O-N 3.07Å; L115-F117 PolarHBondContact O-N 3.32Å; F117-I119 VanDerWaalsContact C-N 3.34Å; F117-I119 PolarHBondContact O-N 3.29Å; F117-L120 HydrophobicContact CD1-CD1 4.5Å; F117-L120 PolarHBondContact O-N 3.3Å; F117-G121 PolarHBondContact O-N 3.45Å; F117-F143 AromaticContact CD1-CD1 3.71Å; F117-F143 HydrophobicContact CD1-CD1 3.71Å; F117-F143 HydrophobicContact CD1-CE1 4.27Å; F117-F143 HydrophobicContact CE1-CD1 4.24Å; F117-F143 HydrophobicContact CE1-CE1 4.46Å; F117-F146 HydrophobicContact CD2-CB 4.19Å; F117-F146 HydrophobicContact CE2-CB 4.33Å; F117-F146 HydrophobicContact CG-CB 4.49Å; F117-A147 HydrophobicContact CB-CB 3.93Å
118	V	95.9	Very high	92	Very high	10 Å²	10	48.6 Å²	48.6	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-43.5	173.3	169.4	0	0	0	0	111.2	I20 S114 L115 G121 S122 A147	I20-V118 HydrophobicContact CB-CG1 4.33Å; I20-V118 HydrophobicContact CD1-CG1 3.89Å; I20-V118 HydrophobicContact CG1-CG1 3.73Å; I20-V118 HydrophobicContact CG2-CG1 3.75Å; S114-V118 WeakPolarHBondContact O-CG2 3.47Å; S114-V118 PolarHBondContact O-N 3.32Å; L115-V118 PolarHBondContact O-N 2.68Å; V118-G121 PolarHBondContact O-N 2.92Å; V118-S122 WeakPolarHBondContact O-CB 3.49Å; V118-S122 PolarHBondContact O-N 3.42Å; V118-S122 PolarHBondContact O-OG 3.19Å; V118-A147 HydrophobicContact CG2-CB 3.71Å
119	I	95.6	Very high	91.8	Very high	99 Å²	99	52.8 Å²	52.8	51%	0.508	28%	0.283	S	S	.	.	H	α-helix	trans	-64.1	-49.5	178	-66.3	163.3	0	0	0	110.2	L115 G116 F117 G121 S122 L123	L115-I119 VanDerWaalsContact O-CG1 3.27Å; L115-I119 WeakPolarHBondContact O-CG1 3.18Å; L115-I119 PolarHBondContact O-N 3.34Å; G116-I119 PolarHBondContact O-N 3.47Å; F117-I119 VanDerWaalsContact C-N 3.34Å; F117-I119 PolarHBondContact O-N 3.29Å; I119-G121 PolarHBondContact O-N 3.23Å; I119-S122 WeakPolarHBondContact CA-OG 3.49Å; I119-S122 PolarHBondContact O-N 3.32Å; I119-S122 PolarHBondContact O-OG 2.87Å; I119-L123 HydrophobicContact CG2-CD1 4.12Å; I119-L123 WeakPolarHBondContact O-CG 3.45Å; I119-L123 PolarHBondContact O-N 3.31Å
120	L	95.4	Very high	91.2	Very high	82 Å²	82	54.1 Å²	54.1	43%	0.429	30%	0.301	S	S	.	.	H	α-helix	trans	-59.7	-45.2	176.8	-70.8	170.3	0	0	0	112.1	G116 F117 L123 C124 F143	G116-L120 WeakPolarHBondContact O-CG 3.31Å; G116-L120 PolarHBondContact O-N 2.97Å; F117-L120 HydrophobicContact CD1-CD1 4.5Å; F117-L120 PolarHBondContact O-N 3.3Å; L120-L123 PolarHBondContact O-N 2.86Å; L120-C124 PolarHBondContact O-N 3.36Å; L120-C124 PolarHBondContact O-SG 2.91Å; L120-F143 HydrophobicContact CB-CD2 4.21Å; L120-F143 HydrophobicContact CB-CE2 4.33Å; L120-F143 HydrophobicContact CB-CG 4.42Å
121	G	94.5	Very high	90.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-46	177.2	0	0	0	0	0	112.5	F117 V118 I119 C124 V125	F117-G121 PolarHBondContact O-N 3.45Å; V118-G121 PolarHBondContact O-N 2.92Å; I119-G121 PolarHBondContact O-N 3.23Å; G121-C124 WeakPolarHBondContact O-CB 3.37Å; G121-C124 PolarHBondContact O-N 3.13Å; G121-V125 WeakPolarHBondContact O-CG2 3.34Å; G121-V125 PolarHBondContact O-N 2.78Å
122	S	93.1	Very high	89.4	Confident	36 Å²	36	67.3 Å²	67.3	25%	0.252	36%	0.356	S	S	.	.	H	α-helix	trans	-64.9	-39.3	177.9	61	0	0	0	0	112.9	V118 I119 C124 V125 L126 Y144	V118-S122 WeakPolarHBondContact O-CB 3.49Å; V118-S122 PolarHBondContact O-N 3.42Å; V118-S122 PolarHBondContact O-OG 3.19Å; I119-S122 WeakPolarHBondContact CA-OG 3.49Å; I119-S122 PolarHBondContact O-N 3.32Å; I119-S122 PolarHBondContact O-OG 2.87Å; S122-C124 VanDerWaalsContact C-N 3.34Å; S122-C124 PolarHBondContact O-N 3.46Å; S122-V125 PolarHBondContact O-N 3.42Å; S122-L126 WeakPolarHBondContact O-CB 3.36Å; S122-L126 VanDerWaalsContact O-CG 3.27Å; S122-L126 WeakPolarHBondContact O-CG 3.27Å; S122-L126 PolarHBondContact O-N 3.26Å; S122-Y144 VanDerWaalsContact CA-OH 3.22Å; S122-Y144 WeakPolarHBondContact CA-OH 3.49Å; S122-Y144 PolarHBondContact N-OH 2.97Å
123	L	93.6	Very high	88.8	Confident	88 Å²	88	67.7 Å²	67.7	46%	0.461	35%	0.351	S	S	.	.	H	α-helix	trans	-59.3	-44.8	171.7	-72.5	169.6	0	0	0	111.4	I119 L120 V125 L126 L127	I119-L123 HydrophobicContact CG2-CD1 4.12Å; I119-L123 WeakPolarHBondContact O-CG 3.45Å; I119-L123 PolarHBondContact O-N 3.31Å; L120-L123 PolarHBondContact O-N 2.86Å; L123-V125 PolarHBondContact O-N 2.92Å; L123-L126 PolarHBondContact O-N 2.99Å; L123-L127 WeakPolarHBondContact O-CB 3.25Å; L123-L127 VanDerWaalsContact O-CG 3.27Å; L123-L127 WeakPolarHBondContact O-CG 3.43Å; L123-L127 PolarHBondContact O-N 3.47Å
124	C	91.9	Very high	88.1	Confident	24 Å²	24	62.8 Å²	62.8	16%	0.162	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-41.6	176.9	-68.4	0	0	0	0	112.4	L120 G121 S122 S128 A140	L120-C124 PolarHBondContact O-N 3.36Å; L120-C124 PolarHBondContact O-SG 2.91Å; G121-C124 WeakPolarHBondContact O-CB 3.37Å; G121-C124 PolarHBondContact O-N 3.13Å; S122-C124 VanDerWaalsContact C-N 3.34Å; S122-C124 PolarHBondContact O-N 3.46Å; C124-S128 WeakPolarHBondContact O-CB 3.37Å; C124-S128 PolarHBondContact O-N 3.49Å; C124-A140 HydrophobicContact CB-CB 3.6Å
125	V	90.5	Very high	87.6	Confident	13 Å²	13	69 Å²	69	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-63.4	-47.8	175.7	172.8	0	0	0	0	111.4	L13 G121 S122 L123 L127 S128 F129 L137 A140 Y144	L13-V125 HydrophobicContact CD1-CG1 4.36Å; L13-V125 HydrophobicContact CD2-CG1 3.96Å; L13-V125 HydrophobicContact CD2-CG2 4.03Å; G121-V125 WeakPolarHBondContact O-CG2 3.34Å; G121-V125 PolarHBondContact O-N 2.78Å; S122-V125 PolarHBondContact O-N 3.42Å; L123-V125 PolarHBondContact O-N 2.92Å; V125-L127 VanDerWaalsContact C-N 3.35Å; V125-L127 PolarHBondContact O-N 3.1Å; V125-S128 VanDerWaalsContact O-CB 3.29Å; V125-S128 WeakPolarHBondContact O-CB 3.49Å; V125-S128 PolarHBondContact O-N 2.89Å; V125-S128 VanDerWaalsContact O-N 3.14Å; V125-F129 HydrophobicContact CG1-CD2 3.93Å; V125-F129 HydrophobicContact CG1-CE2 3.49Å; V125-F129 VanDerWaalsContact CG1-CE2 3.49Å; V125-F129 VanDerWaalsContact O-CD2 3.23Å; V125-F129 WeakPolarHBondContact O-CD2 3.29Å; V125-F129 PolarHBondContact O-N 3.37Å; V125-L137 HydrophobicContact CG2-CD2 4.46Å; V125-A140 HydrophobicContact CG2-CB 3.74Å; V125-Y144 HydrophobicContact CG2-CE2 3.79Å
126	L	89.6	Confident	87.3	Confident	118 Å²	118	68.8 Å²	68.8	62%	0.618	35%	0.354	S	S	*	.	H	α-helix	trans	-60.7	-44	-179.5	-71.5	171.6	0	0	0	111.7	S122 L123 S128 F129 G130	S122-L126 WeakPolarHBondContact O-CB 3.36Å; S122-L126 VanDerWaalsContact O-CG 3.27Å; S122-L126 WeakPolarHBondContact O-CG 3.27Å; S122-L126 PolarHBondContact O-N 3.26Å; L123-L126 PolarHBondContact O-N 2.99Å; L126-S128 VanDerWaalsContact C-N 3.29Å; L126-S128 PolarHBondContact O-N 3.34Å; L126-F129 PolarHBondContact O-N 2.92Å; L126-G130 PolarHBondContact O-N 3Å
127	L	87.8	Confident	86.9	Confident	104 Å²	104	67.3 Å²	67.3	55%	0.545	34%	0.339	S	S	.	.	H	α-helix	trans	-66.4	-30.4	176.9	-69.1	174.6	0	0	0	112.8	L123 V125 K131 L136	L123-L127 WeakPolarHBondContact O-CB 3.25Å; L123-L127 VanDerWaalsContact O-CG 3.27Å; L123-L127 WeakPolarHBondContact O-CG 3.43Å; L123-L127 PolarHBondContact O-N 3.47Å; V125-L127 VanDerWaalsContact C-N 3.35Å; V125-L127 PolarHBondContact O-N 3.1Å; L127-K131 PolarHBondContact O-N 2.83Å; L127-L136 HydrophobicContact CB-CD1 3.97Å
128	S	86.8	Confident	86.6	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-46.8	175.6	-172.5	0	0	0	0	111.4	C124 V125 L126 K132 R133	C124-S128 WeakPolarHBondContact O-CB 3.37Å; C124-S128 PolarHBondContact O-N 3.49Å; V125-S128 VanDerWaalsContact O-CB 3.29Å; V125-S128 WeakPolarHBondContact O-CB 3.49Å; V125-S128 PolarHBondContact O-N 2.89Å; V125-S128 VanDerWaalsContact O-N 3.14Å; L126-S128 VanDerWaalsContact C-N 3.29Å; L126-S128 PolarHBondContact O-N 3.34Å; S128-K132 PolarHBondContact O-N 3.48Å; S128-R133 WeakPolarHBondContact CB-O 3.5Å; S128-R133 PolarHBondContact O-N 3.38Å; S128-R133 PolarHBondContact OG-O 3.47Å
129	F	80.8	Confident	86.5	Confident	92 Å²	92	69.5 Å²	69.5	40%	0.404	35%	0.35	S	S	.	.	H	α-helix	trans	-67.1	-37.9	178.5	-71.7	-65.9	0	0	0	113.4	T4 L13 V125 L126	T4-F129 HydrophobicContact CG2-CD1 4.25Å; T4-F129 HydrophobicContact CG2-CE1 4.08Å; L13-F129 HydrophobicContact CD1-CE2 3.83Å; L13-F129 HydrophobicContact CD1-CZ 3.47Å; L13-F129 VanDerWaalsContact CD1-CZ 3.47Å; V125-F129 HydrophobicContact CG1-CD2 3.93Å; V125-F129 HydrophobicContact CG1-CE2 3.49Å; V125-F129 VanDerWaalsContact CG1-CE2 3.49Å; V125-F129 VanDerWaalsContact O-CD2 3.23Å; V125-F129 WeakPolarHBondContact O-CD2 3.29Å; V125-F129 PolarHBondContact O-N 3.37Å; L126-F129 PolarHBondContact O-N 2.92Å
130	G	75.1	Confident	86.4	Confident	68 Å²	68	64.8 Å²	64.8	70%	0.701	33%	0.326	S	S	*	.	H	α-helix	trans	-68.9	-34.7	-175.4	0	0	0	0	0	114.8	L126	L126-G130 PolarHBondContact O-N 3Å
131	K	73.3	Confident	86.3	Confident	143 Å²	143	60.9 Å²	60.9	62%	0.622	31%	0.306	S	S	*	.	H	α-helix	trans	-118.1	15.1	-175.2	-70.3	-174.3	178.3	180	0	114.3	L127 R133	L127-K131 PolarHBondContact O-N 2.83Å; K131-R133 HydrophobicContact CB-CG 3.85Å; K131-R133 PolarHBondContact O-N 2.97Å
132	K	69.1	Low	86.3	Confident	175 Å²	175	65.5 Å²	65.5	76%	0.761	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	35.3	-173.2	-59.5	178.2	-178.1	171.3	0	112.8	S128 D134	S128-K132 PolarHBondContact O-N 3.48Å; K132-D134 PolarHBondContact O-N 3.43Å
133	R	79.4	Confident	86.5	Confident	102 Å²	102	66.5 Å²	66.5	39%	0.385	33%	0.329	S	S	.	.			trans	-93.5	75.2	-176.8	-70.8	176.1	175.5	-173	-5	109.2	S128 K131 Y135 L136	S128-R133 WeakPolarHBondContact CB-O 3.5Å; S128-R133 PolarHBondContact O-N 3.38Å; S128-R133 PolarHBondContact OG-O 3.47Å; K131-R133 HydrophobicContact CB-CG 3.85Å; K131-R133 PolarHBondContact O-N 2.97Å; R133-Y135 HydrophobicContact CB-CD1 4.11Å; R133-Y135 HydrophobicContact CB-CE1 3.58Å; R133-Y135 VanDerWaalsContact CD-OH 3.31Å; R133-Y135 WeakPolarHBondContact CD-OH 3.27Å; R133-Y135 HydrophobicContact CG-CE1 3.65Å; R133-Y135 PolarHBondContact O-N 3.4Å; R133-L136 HydrophobicContact CB-CD1 3.74Å; R133-L136 HydrophobicContact CB-CG 4.12Å; R133-L136 WeakPolarHBondContact O-CB 3.48Å; R133-L136 PolarHBondContact O-N 2.96Å; R133-L136 VanDerWaalsContact O-N 3.11Å
134	D	79.6	Confident	86.6	Confident	32 Å²	32	62.7 Å²	62.7	17%	0.171	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-61.3	-26.9	-175.7	-69.2	-13.4	0	0	0	112.1	S2 Q3 T4 K132 L136 L137	S2-D134 VanDerWaalsContact CA-OD2 3.3Å; S2-D134 WeakPolarHBondContact CA-OD2 3.1Å; S2-D134 VanDerWaalsContact CB-OD2 3.27Å; S2-D134 WeakPolarHBondContact CB-OD2 3.4Å; S2-D134 PolarHBondContact OG-OD1 3.13Å; S2-D134 PolarHBondContact OG-OD2 3.14Å; Q3-D134 HydrophobicContact CB-CB 4.45Å; Q3-D134 PolarHBondContact N-OD2 3.27Å; T4-D134 WeakPolarHBondContact CG2-OD1 3.45Å; T4-D134 PolarHBondContact OG1-OD1 3.49Å; K132-D134 PolarHBondContact O-N 3.43Å; D134-L136 PolarHBondContact O-N 2.87Å; D134-L137 WeakPolarHBondContact O-CB 3.44Å; D134-L137 PolarHBondContact O-N 3.36Å; D134-L137 VanDerWaalsContact O-N 3.13Å
135	Y	82.3	Confident	86.8	Confident	135 Å²	135	62.3 Å²	62.3	53%	0.529	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-62.3	-23.5	176.7	66	-94.5	0	0	0	114.1	R133 L137 R138 P139	R133-Y135 HydrophobicContact CB-CD1 4.11Å; R133-Y135 HydrophobicContact CB-CE1 3.58Å; R133-Y135 VanDerWaalsContact CD-OH 3.31Å; R133-Y135 WeakPolarHBondContact CD-OH 3.27Å; R133-Y135 HydrophobicContact CG-CE1 3.65Å; R133-Y135 PolarHBondContact O-N 3.4Å; Y135-L137 PolarHBondContact O-N 3.23Å; Y135-R138 PolarHBondContact O-N 3.46Å; Y135-P139 VanDerWaalsContact O-CD 3.32Å; Y135-P139 WeakPolarHBondContact O-CD 3.34Å
136	L	87.9	Confident	87	Confident	32 Å²	32	66.9 Å²	66.9	17%	0.168	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-72	-14.8	177.6	-71.8	172.8	0	0	0	113.2	L127 R133 D134 R138 P139 A140	L127-L136 HydrophobicContact CB-CD1 3.97Å; R133-L136 HydrophobicContact CB-CD1 3.74Å; R133-L136 HydrophobicContact CB-CG 4.12Å; R133-L136 WeakPolarHBondContact O-CB 3.48Å; R133-L136 PolarHBondContact O-N 2.96Å; R133-L136 VanDerWaalsContact O-N 3.11Å; D134-L136 PolarHBondContact O-N 2.87Å; L136-R138 VanDerWaalsContact C-N 3.28Å; L136-R138 PolarHBondContact O-N 3.35Å; L136-P139 WeakPolarHBondContact O-CD 3.48Å; L136-P139 WeakPolarHBondContact O-CG 3.46Å; L136-A140 WeakPolarHBondContact O-CB 3.27Å; L136-A140 PolarHBondContact O-N 3.26Å
137	L	87.6	Confident	87.4	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.8	-29.1	175.4	-72.2	167.7	0	0	0	112.5	T4 V9 V125 D134 Y135 A140 S141	T4-L137 HydrophobicContact CG2-CD1 3.63Å; T4-L137 HydrophobicContact CG2-CG 4.46Å; V9-L137 HydrophobicContact CG1-CD1 4.46Å; V125-L137 HydrophobicContact CG2-CD2 4.46Å; D134-L137 WeakPolarHBondContact O-CB 3.44Å; D134-L137 PolarHBondContact O-N 3.36Å; D134-L137 VanDerWaalsContact O-N 3.13Å; Y135-L137 PolarHBondContact O-N 3.23Å; L137-A140 PolarHBondContact O-N 2.84Å; L137-S141 WeakPolarHBondContact O-CB 3.45Å; L137-S141 PolarHBondContact O-N 3.43Å; L137-S141 PolarHBondContact O-OG 3.02Å
138	R	90	Very high	87.7	Confident	70 Å²	70	56.3 Å²	56.3	26%	0.264	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-57.2	179.3	-60.1	-179.6	-172	172.3	8	112	Y135 L136 A140 S141 M142 S203	Y135-R138 PolarHBondContact O-N 3.46Å; L136-R138 VanDerWaalsContact C-N 3.28Å; L136-R138 PolarHBondContact O-N 3.35Å; R138-A140 VanDerWaalsContact C-N 3.29Å; R138-A140 PolarHBondContact O-N 2.93Å; R138-S141 PolarHBondContact O-N 2.88Å; R138-S141 PolarHBondContact O-OG 3.12Å; R138-M142 PolarHBondContact O-N 3.41Å; R138-S203 PolarHBondContact NE-O 3.17Å
139	P	92.8	Very high	88.2	Confident	46 Å²	46	59.6 Å²	59.6	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-34.3	176	25	-33.9	0	0	0	112.4	Y135 L136 S141 M142 F143	Y135-P139 VanDerWaalsContact O-CD 3.32Å; Y135-P139 WeakPolarHBondContact O-CD 3.34Å; L136-P139 WeakPolarHBondContact O-CD 3.48Å; L136-P139 WeakPolarHBondContact O-CG 3.46Å; P139-S141 VanDerWaalsContact C-N 3.33Å; P139-S141 PolarHBondContact O-N 3.45Å; P139-M142 PolarHBondContact O-N 3.28Å; P139-F143 HydrophobicContact CB-CE2 4.42Å; P139-F143 WeakPolarHBondContact O-CD2 3.4Å; P139-F143 PolarHBondContact O-N 2.97Å
140	A	93.8	Very high	88.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.2	-45.6	175	0	0	0	0	0	112.3	C124 V125 L136 L137 R138 M142 F143 Y144	C124-A140 HydrophobicContact CB-CB 3.6Å; V125-A140 HydrophobicContact CG2-CB 3.74Å; L136-A140 WeakPolarHBondContact O-CB 3.27Å; L136-A140 PolarHBondContact O-N 3.26Å; L137-A140 PolarHBondContact O-N 2.84Å; R138-A140 VanDerWaalsContact C-N 3.29Å; R138-A140 PolarHBondContact O-N 2.93Å; A140-M142 VanDerWaalsContact C-N 3.31Å; A140-M142 PolarHBondContact O-N 2.94Å; A140-F143 PolarHBondContact O-N 3.23Å; A140-Y144 WeakPolarHBondContact O-CD2 3.36Å; A140-Y144 PolarHBondContact O-N 3.22Å; A140-Y144 VanDerWaalsContact O-N 3.1Å
141	S	93.6	Very high	89.7	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-36.9	179.2	73.4	0	0	0	0	112.7	L137 R138 P139 Y144 A145 G196 L200	L137-S141 WeakPolarHBondContact O-CB 3.45Å; L137-S141 PolarHBondContact O-N 3.43Å; L137-S141 PolarHBondContact O-OG 3.02Å; R138-S141 PolarHBondContact O-N 2.88Å; R138-S141 PolarHBondContact O-OG 3.12Å; P139-S141 VanDerWaalsContact C-N 3.33Å; P139-S141 PolarHBondContact O-N 3.45Å; S141-Y144 PolarHBondContact O-N 3.21Å; S141-A145 PolarHBondContact O-N 2.92Å; S141-A145 VanDerWaalsContact O-N 3.09Å; S141-G196 WeakPolarHBondContact CB-O 3.33Å; S141-L200 WeakPolarHBondContact OG-CA 3.3Å; S141-L200 WeakPolarHBondContact OG-CB 2.96Å; S141-L200 WeakPolarHBondContact OG-CD1 3.33Å
142	M	94.6	Very high	90.7	Very high	96 Å²	96	49.6 Å²	49.6	47%	0.473	23%	0.23	S	C	.	.	H	α-helix	trans	-64.9	-45.5	174.6	-66.9	178.1	173.2	0	0	111.3	R138 P139 A140 Y144 A145 F146 L200	R138-M142 PolarHBondContact O-N 3.41Å; P139-M142 PolarHBondContact O-N 3.28Å; A140-M142 VanDerWaalsContact C-N 3.31Å; A140-M142 PolarHBondContact O-N 2.94Å; M142-Y144 VanDerWaalsContact C-N 3.3Å; M142-Y144 PolarHBondContact O-N 3.46Å; M142-A145 PolarHBondContact O-N 3.43Å; M142-A145 VanDerWaalsContact O-N 3.17Å; M142-F146 HydrophobicContact CB-CD2 4.47Å; M142-F146 HydrophobicContact CB-CE2 4.36Å; M142-F146 WeakPolarHBondContact O-CD2 3.3Å; M142-F146 PolarHBondContact O-N 3.44Å; M142-L200 HydrophobicContact CE-CD1 4.31Å
143	F	96.6	Very high	91.9	Very high	58 Å²	58	44.6 Å²	44.6	25%	0.254	21%	0.214	S	C	.	.	H	α-helix	trans	-60.3	-38.7	177.1	-68.3	-49.1	0	0	0	112.4	F117 L120 P139 A140 F146 A147	F117-F143 AromaticContact CD1-CD1 3.71Å; F117-F143 HydrophobicContact CD1-CD1 3.71Å; F117-F143 HydrophobicContact CD1-CE1 4.27Å; F117-F143 HydrophobicContact CE1-CD1 4.24Å; F117-F143 HydrophobicContact CE1-CE1 4.46Å; L120-F143 HydrophobicContact CB-CD2 4.21Å; L120-F143 HydrophobicContact CB-CE2 4.33Å; L120-F143 HydrophobicContact CB-CG 4.42Å; P139-F143 HydrophobicContact CB-CE2 4.42Å; P139-F143 WeakPolarHBondContact O-CD2 3.4Å; P139-F143 PolarHBondContact O-N 2.97Å; A140-F143 PolarHBondContact O-N 3.23Å; F143-F146 PolarHBondContact O-N 2.83Å; F143-A147 WeakPolarHBondContact O-CB 3.35Å; F143-A147 PolarHBondContact O-N 2.94Å
144	Y	96.3	Very high	92.4	Very high	8 Å²	8	39.8 Å²	39.8	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-66.7	-38.8	174.7	-68.1	-50.8	0	0	0	113.4	I16 I20 S122 V125 A140 S141 M142 A147 G148 L192 L199	I16-Y144 HydrophobicContact CD1-CD2 4Å; I16-Y144 HydrophobicContact CD1-CE2 4.39Å; I16-Y144 HydrophobicContact CG2-CD1 3.88Å; I16-Y144 HydrophobicContact CG2-CD2 3.95Å; I16-Y144 HydrophobicContact CG2-CE1 3.82Å; I16-Y144 HydrophobicContact CG2-CE2 3.87Å; I16-Y144 HydrophobicContact CG2-CG 3.94Å; I20-Y144 HydrophobicContact CD1-CE1 3.81Å; I20-Y144 HydrophobicContact CG1-CE1 4.44Å; S122-Y144 VanDerWaalsContact CA-OH 3.22Å; S122-Y144 WeakPolarHBondContact CA-OH 3.49Å; S122-Y144 PolarHBondContact N-OH 2.97Å; V125-Y144 HydrophobicContact CG2-CE2 3.79Å; A140-Y144 WeakPolarHBondContact O-CD2 3.36Å; A140-Y144 PolarHBondContact O-N 3.22Å; A140-Y144 VanDerWaalsContact O-N 3.1Å; S141-Y144 PolarHBondContact O-N 3.21Å; M142-Y144 VanDerWaalsContact C-N 3.3Å; M142-Y144 PolarHBondContact O-N 3.46Å; Y144-A147 PolarHBondContact O-N 3.49Å; Y144-G148 PolarHBondContact O-N 2.94Å; Y144-L192 HydrophobicContact CD1-CD2 4.35Å; Y144-L199 HydrophobicContact CD2-CD2 4.49Å
145	A	95.6	Very high	92.9	Very high	15 Å²	15	38.6 Å²	38.6	12%	0.124	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-44	175.1	0	0	0	0	0	111.6	S141 M142 G148 L149 F193	S141-A145 PolarHBondContact O-N 2.92Å; S141-A145 VanDerWaalsContact O-N 3.09Å; M142-A145 PolarHBondContact O-N 3.43Å; M142-A145 VanDerWaalsContact O-N 3.17Å; A145-G148 PolarHBondContact O-N 3.05Å; A145-L149 WeakPolarHBondContact O-CG 3.45Å; A145-L149 PolarHBondContact O-N 3.29Å; A145-F193 HydrophobicContact CB-CD2 4.43Å
146	F	95.4	Very high	93.3	Very high	110 Å²	110	35.8 Å²	35.8	48%	0.482	18%	0.182	S	C	.	.	H	α-helix	trans	-64.2	-41.6	175	-74.7	-61.1	0	0	0	112.4	F117 M142 F143 G148 L149 C150	F117-F146 HydrophobicContact CD2-CB 4.19Å; F117-F146 HydrophobicContact CE2-CB 4.33Å; F117-F146 HydrophobicContact CG-CB 4.49Å; M142-F146 HydrophobicContact CB-CD2 4.47Å; M142-F146 HydrophobicContact CB-CE2 4.36Å; M142-F146 WeakPolarHBondContact O-CD2 3.3Å; M142-F146 PolarHBondContact O-N 3.44Å; F143-F146 PolarHBondContact O-N 2.83Å; F146-G148 VanDerWaalsContact C-N 3.32Å; F146-G148 PolarHBondContact O-N 2.95Å; F146-L149 HydrophobicContact CD1-CD1 4.47Å; F146-L149 PolarHBondContact O-N 3.08Å; F146-C150 PolarHBondContact O-N 2.96Å; F146-C150 PolarHBondContact O-SG 3.44Å; F146-C150 VanDerWaalsContact O-SG 3.33Å
147	A	96.3	Very high	93.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.7	-46.6	173.1	0	0	0	0	0	111.4	S114 F117 V118 F143 Y144 L149 C150 I151	S114-A147 PolarHBondContact OG-O 3.3Å; S114-A147 VanDerWaalsContact OG-O 3.12Å; F117-A147 HydrophobicContact CB-CB 3.93Å; V118-A147 HydrophobicContact CG2-CB 3.71Å; F143-A147 WeakPolarHBondContact O-CB 3.35Å; F143-A147 PolarHBondContact O-N 2.94Å; Y144-A147 PolarHBondContact O-N 3.49Å; A147-L149 PolarHBondContact O-N 2.84Å; A147-C150 PolarHBondContact O-N 2.97Å; A147-I151 WeakPolarHBondContact O-CG1 3.47Å; A147-I151 PolarHBondContact O-N 2.96Å
148	G	95.4	Very high	93.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55.5	-50.3	174.3	0	0	0	0	0	112.2	Y144 A145 F146 C150 I151 L152 F189	Y144-G148 PolarHBondContact O-N 2.94Å; A145-G148 PolarHBondContact O-N 3.05Å; F146-G148 VanDerWaalsContact C-N 3.32Å; F146-G148 PolarHBondContact O-N 2.95Å; G148-C150 VanDerWaalsContact C-N 3.33Å; G148-C150 PolarHBondContact O-N 2.91Å; G148-I151 WeakPolarHBondContact O-CB 3.36Å; G148-I151 PolarHBondContact O-N 2.88Å; G148-I151 VanDerWaalsContact O-N 3.14Å; G148-L152 PolarHBondContact O-N 3.09Å; G148-F189 VanDerWaalsContact O-CD2 3.27Å; G148-F189 WeakPolarHBondContact O-CD2 3.44Å
149	L	95.9	Very high	92.8	Very high	68 Å²	68	38.1 Å²	38.1	36%	0.356	19%	0.191	S	C	.	.	H	α-helix	trans	-60.5	-40.3	178	-69.2	173.5	0	0	0	112.5	A145 F146 A147 I151 L152 V153 F189 F193	A145-L149 WeakPolarHBondContact O-CG 3.45Å; A145-L149 PolarHBondContact O-N 3.29Å; F146-L149 HydrophobicContact CD1-CD1 4.47Å; F146-L149 PolarHBondContact O-N 3.08Å; A147-L149 PolarHBondContact O-N 2.84Å; L149-I151 VanDerWaalsContact C-N 3.34Å; L149-I151 PolarHBondContact O-N 3.48Å; L149-L152 WeakPolarHBondContact O-CB 3.5Å; L149-L152 PolarHBondContact O-N 2.63Å; L149-V153 WeakPolarHBondContact O-CG2 3.37Å; L149-V153 PolarHBondContact O-N 3.48Å; L149-F189 HydrophobicContact CD2-CE2 4.45Å; L149-F193 HydrophobicContact CD1-CE2 4.18Å; L149-F193 HydrophobicContact CD2-CD2 4Å; L149-F193 HydrophobicContact CD2-CE2 3.75Å; L149-F193 HydrophobicContact CD2-CZ 4.48Å; L149-F193 HydrophobicContact CG-CD2 3.95Å; L149-F193 HydrophobicContact CG-CE2 3.9Å
150	C	94.7	Very high	92.4	Very high	26 Å²	26	40.2 Å²	40.2	18%	0.176	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-41	175	-69.5	0	0	0	0	111.8	I110 F146 A147 G148 L152 V153 S154	I110-C150 HydrophobicContact CG2-CB 3.98Å; I110-C150 WeakPolarHBondContact CG2-O 3.11Å; F146-C150 PolarHBondContact O-N 2.96Å; F146-C150 PolarHBondContact O-SG 3.44Å; F146-C150 VanDerWaalsContact O-SG 3.33Å; A147-C150 PolarHBondContact O-N 2.97Å; G148-C150 VanDerWaalsContact C-N 3.33Å; G148-C150 PolarHBondContact O-N 2.91Å; C150-L152 VanDerWaalsContact C-N 3.33Å; C150-L152 PolarHBondContact O-N 3.11Å; C150-V153 PolarHBondContact O-N 3.26Å; C150-S154 PolarHBondContact O-N 3.44Å
151	I	93.4	Very high	91.6	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.036	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-43.4	174	-65.3	176.8	0	0	0	110.8	A23 S114 A147 G148 L149 V153 S154 V155 A185 A188 F189 L192	A23-I151 HydrophobicContact CB-CD1 3.5Å; S114-I151 VanDerWaalsContact OG-CG1 3.27Å; S114-I151 WeakPolarHBondContact OG-CG1 3.33Å; A147-I151 WeakPolarHBondContact O-CG1 3.47Å; A147-I151 PolarHBondContact O-N 2.96Å; G148-I151 WeakPolarHBondContact O-CB 3.36Å; G148-I151 PolarHBondContact O-N 2.88Å; G148-I151 VanDerWaalsContact O-N 3.14Å; L149-I151 VanDerWaalsContact C-N 3.34Å; L149-I151 PolarHBondContact O-N 3.48Å; I151-V153 PolarHBondContact O-N 3.09Å; I151-S154 WeakPolarHBondContact O-CB 3.48Å; I151-S154 PolarHBondContact O-N 3.46Å; I151-V155 HydrophobicContact CG2-CG2 4.28Å; I151-V155 VanDerWaalsContact O-CG2 3.29Å; I151-V155 WeakPolarHBondContact O-CG2 3.24Å; I151-V155 PolarHBondContact O-N 3.35Å; I151-A185 HydrophobicContact CG2-CB 4.23Å; I151-A188 HydrophobicContact CD1-CB 4.39Å; I151-F189 HydrophobicContact CG2-CB 4.4Å; I151-L192 HydrophobicContact CD1-CD1 3.77Å
152	L	94.4	Very high	90.7	Very high	61 Å²	61	41 Å²	41	32%	0.319	20%	0.202	S	C	.	.	H	α-helix	trans	-58.2	-47.1	176.3	-174.3	95.2	0	0	0	111.4	G148 L149 C150 S154 V155 E156 F189	G148-L152 PolarHBondContact O-N 3.09Å; L149-L152 WeakPolarHBondContact O-CB 3.5Å; L149-L152 PolarHBondContact O-N 2.63Å; C150-L152 VanDerWaalsContact C-N 3.33Å; C150-L152 PolarHBondContact O-N 3.11Å; L152-S154 VanDerWaalsContact C-N 3.32Å; L152-S154 PolarHBondContact O-N 2.62Å; L152-V155 WeakPolarHBondContact O-CB 3.25Å; L152-V155 PolarHBondContact O-N 3.34Å; L152-E156 PolarHBondContact O-N 3.32Å; L152-F189 HydrophobicContact CB-CD2 3.87Å; L152-F189 HydrophobicContact CB-CE2 4.02Å; L152-F189 HydrophobicContact CB-CG 4.27Å; L152-F189 HydrophobicContact CD1-CD1 3.76Å; L152-F189 HydrophobicContact CD1-CD2 4.17Å; L152-F189 HydrophobicContact CD1-CE1 3.62Å; L152-F189 HydrophobicContact CD1-CE2 4.03Å; L152-F189 HydrophobicContact CD1-CG 4.04Å; L152-F189 HydrophobicContact CD1-CZ 3.75Å; L152-F189 HydrophobicContact CG-CE2 4.44Å
153	V	93.6	Very high	90	Very high	69 Å²	69	43.7 Å²	43.7	42%	0.418	21%	0.212	S	C	.	.	H	α-helix	trans	-62.6	-41.6	177.8	-178.2	0	0	0	0	110.6	I110 L149 C150 I151 V155 E156 V157	I110-V153 HydrophobicContact CD1-CG1 3.74Å; I110-V153 HydrophobicContact CG2-CB 4.3Å; L149-V153 WeakPolarHBondContact O-CG2 3.37Å; L149-V153 PolarHBondContact O-N 3.48Å; C150-V153 PolarHBondContact O-N 3.26Å; I151-V153 PolarHBondContact O-N 3.09Å; V153-V155 VanDerWaalsContact C-N 3.32Å; V153-V155 PolarHBondContact O-N 3.29Å; V153-E156 PolarHBondContact O-N 2.8Å; V153-V157 HydrophobicContact CG1-CG2 4.22Å; V153-V157 WeakPolarHBondContact O-CB 3.38Å; V153-V157 VanDerWaalsContact O-CG2 3.25Å; V153-V157 WeakPolarHBondContact O-CG2 3.44Å; V153-V157 PolarHBondContact O-N 2.97Å
154	S	91.1	Very high	88.8	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.014	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-42.7	175.2	-171.1	0	0	0	0	111.8	A107 C150 I151 L152 V157 M158	A107-S154 PolarHBondContact O-OG 3.05Å; C150-S154 PolarHBondContact O-N 3.44Å; I151-S154 WeakPolarHBondContact O-CB 3.48Å; I151-S154 PolarHBondContact O-N 3.46Å; L152-S154 VanDerWaalsContact C-N 3.32Å; L152-S154 PolarHBondContact O-N 2.62Å; S154-V157 PolarHBondContact O-N 2.88Å; S154-M158 WeakPolarHBondContact O-CB 3.38Å; S154-M158 PolarHBondContact O-N 3.43Å
155	V	90.2	Very high	87.4	Confident	6 Å²	6	47.1 Å²	47.1	4%	0.036	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-44.9	175.1	169.7	0	0	0	0	111.7	W32 I151 L152 V153 M158 R159 F182 A185	W32-V155 HydrophobicContact CH2-CG2 4.23Å; W32-V155 HydrophobicContact CZ3-CG2 3.78Å; I151-V155 HydrophobicContact CG2-CG2 4.28Å; I151-V155 VanDerWaalsContact O-CG2 3.29Å; I151-V155 WeakPolarHBondContact O-CG2 3.24Å; I151-V155 PolarHBondContact O-N 3.35Å; L152-V155 WeakPolarHBondContact O-CB 3.25Å; L152-V155 PolarHBondContact O-N 3.34Å; V153-V155 VanDerWaalsContact C-N 3.32Å; V153-V155 PolarHBondContact O-N 3.29Å; V155-M158 PolarHBondContact O-N 3.2Å; V155-R159 WeakPolarHBondContact O-CB 3.09Å; V155-R159 PolarHBondContact O-N 3.47Å; V155-F182 HydrophobicContact CG1-CD2 4.27Å; V155-F182 HydrophobicContact CG1-CE2 3.49Å; V155-F182 VanDerWaalsContact CG1-CE2 3.49Å; V155-F182 HydrophobicContact CG1-CZ 3.82Å; V155-A185 HydrophobicContact CG2-CB 3.72Å
156	E	90.8	Very high	86	Confident	77 Å²	77	48.9 Å²	48.9	36%	0.36	23%	0.231	S	C	.	.	H	α-helix	trans	-69.2	-39.2	179.1	-70.8	-61.1	161.7	0	0	112.5	L152 V153 M158 R159 Q160	L152-E156 PolarHBondContact O-N 3.32Å; V153-E156 PolarHBondContact O-N 2.8Å; E156-M158 VanDerWaalsContact C-N 3.29Å; E156-M158 PolarHBondContact O-N 3.05Å; E156-R159 PolarHBondContact O-N 3.17Å; E156-R159 IonicContact OE2-NH1 3.9Å; E156-Q160 WeakPolarHBondContact O-CB 3.28Å; E156-Q160 WeakPolarHBondContact O-CG 3.34Å; E156-Q160 PolarHBondContact O-N 3.14Å
157	V	88.2	Confident	84.6	Confident	22 Å²	22	50.3 Å²	50.3	13%	0.133	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-42.2	173.6	173.8	0	0	0	0	110.1	Y103 A107 I110 V153 S154 Q160 S161	Y103-V157 HydrophobicContact CD1-CG1 4.28Å; Y103-V157 WeakPolarHBondContact O-CG1 3.36Å; A107-V157 HydrophobicContact CB-CB 4.22Å; A107-V157 HydrophobicContact CB-CG1 3.84Å; I110-V157 HydrophobicContact CD1-CG2 4.28Å; V153-V157 HydrophobicContact CG1-CG2 4.22Å; V153-V157 WeakPolarHBondContact O-CB 3.38Å; V153-V157 VanDerWaalsContact O-CG2 3.25Å; V153-V157 WeakPolarHBondContact O-CG2 3.44Å; V153-V157 PolarHBondContact O-N 2.97Å; S154-V157 PolarHBondContact O-N 2.88Å; V157-Q160 PolarHBondContact O-N 3.16Å; V157-S161 PolarHBondContact O-N 3.48Å
158	M	82.4	Confident	82.8	Confident	11 Å²	11	52 Å²	52	5%	0.054	26%	0.255	C	S	.	.	H	α-helix	trans	-66.3	-37.7	175.7	-170.4	60.4	-176.1	0	0	112.2	W32 F51 S154 V155 E156 S161 V162	W32-M158 HydrophobicContact CB-CE 4.32Å; W32-M158 HydrophobicContact CE3-CB 4.42Å; W32-M158 HydrophobicContact CE3-CG 4.06Å; F51-M158 HydrophobicContact CB-CE 3.59Å; F51-M158 HydrophobicContact CD1-CE 4.42Å; F51-M158 HydrophobicContact CG-CE 4.33Å; S154-M158 WeakPolarHBondContact O-CB 3.38Å; S154-M158 PolarHBondContact O-N 3.43Å; V155-M158 PolarHBondContact O-N 3.2Å; E156-M158 VanDerWaalsContact C-N 3.29Å; E156-M158 PolarHBondContact O-N 3.05Å; M158-S161 WeakPolarHBondContact CA-OG 3.38Å; M158-S161 PolarHBondContact O-N 3.35Å; M158-S161 PolarHBondContact O-OG 2.96Å; M158-V162 HydrophobicContact CE-CG2 4.25Å; M158-V162 WeakPolarHBondContact O-CG2 3.08Å; M158-V162 PolarHBondContact O-N 3.24Å; M158-V162 VanDerWaalsContact O-N 3.14Å
159	R	84.1	Confident	80.7	Confident	118 Å²	118	61.6 Å²	61.6	45%	0.445	30%	0.3	S	S	.	.	H	α-helix	trans	-64.3	-42.7	174.8	178.9	168.9	-173.3	-130.7	2.6	111.6	V155 E156 K163 Y178	V155-R159 WeakPolarHBondContact O-CB 3.09Å; V155-R159 PolarHBondContact O-N 3.47Å; E156-R159 PolarHBondContact O-N 3.17Å; E156-R159 IonicContact OE2-NH1 3.9Å; R159-K163 WeakPolarHBondContact O-CB 3.29Å; R159-K163 PolarHBondContact O-N 3.46Å; R159-Y178 WeakPolarHBondContact CG-OH 3.33Å
160	Q	83.6	Confident	78.5	Confident	89 Å²	89	64.6 Å²	64.6	42%	0.416	32%	0.316	S	S	.	.	H	α-helix	trans	-68	-35.9	176.9	-72.8	-174.9	14.7	0	0	112.5	E156 V157 K163 R164	E156-Q160 WeakPolarHBondContact O-CB 3.28Å; E156-Q160 WeakPolarHBondContact O-CG 3.34Å; E156-Q160 PolarHBondContact O-N 3.14Å; V157-Q160 PolarHBondContact O-N 3.16Å; Q160-K163 PolarHBondContact O-N 2.99Å; Q160-R164 WeakPolarHBondContact O-CB 2.82Å; Q160-R164 WeakPolarHBondContact O-CG 3.47Å; Q160-R164 PolarHBondContact O-N 2.81Å
161	S	77.9	Confident	76.3	Confident	14 Å²	14	64.2 Å²	64.2	10%	0.098	31%	0.313	C	S	.	.	H	α-helix	trans	-64.8	-44	177.1	70.3	0	0	0	0	111.4	V157 M158 M165	V157-S161 PolarHBondContact O-N 3.48Å; M158-S161 WeakPolarHBondContact CA-OG 3.38Å; M158-S161 PolarHBondContact O-N 3.35Å; M158-S161 PolarHBondContact O-OG 2.96Å; S161-M165 WeakPolarHBondContact O-CB 2.98Å; S161-M165 PolarHBondContact O-N 3.41Å; S161-M165 VanDerWaalsContact O-N 3.16Å
162	V	75.3	Confident	74.4	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.024	33%	0.331	C	S	.	.	H	α-helix	trans	-66.6	-42.2	175.2	176.6	0	0	0	0	111.2	A33 L35 M158 R164 M165 I166 Y176	A33-V162 HydrophobicContact CB-CG2 4.14Å; L35-V162 HydrophobicContact CD1-CG1 4.38Å; M158-V162 HydrophobicContact CE-CG2 4.25Å; M158-V162 WeakPolarHBondContact O-CG2 3.08Å; M158-V162 PolarHBondContact O-N 3.24Å; M158-V162 VanDerWaalsContact O-N 3.14Å; V162-R164 PolarHBondContact O-N 3.03Å; V162-M165 VanDerWaalsContact O-CB 3.31Å; V162-M165 WeakPolarHBondContact O-CB 3.23Å; V162-M165 PolarHBondContact O-N 3.48Å; V162-I166 PolarHBondContact O-N 3.47Å; V162-Y176 HydrophobicContact CG1-CD2 4.31Å; V162-Y176 HydrophobicContact CG1-CG 4.26Å
163	K	78.6	Confident	72.6	Confident	153 Å²	153	66 Å²	66	67%	0.665	32%	0.323	S	S	*	.	H	α-helix	trans	-65.3	-38	179.5	-173.3	171.9	-179.8	177.4	0	113	R159 Q160 M165 I166 D167	R159-K163 WeakPolarHBondContact O-CB 3.29Å; R159-K163 PolarHBondContact O-N 3.46Å; Q160-K163 PolarHBondContact O-N 2.99Å; K163-M165 VanDerWaalsContact C-N 3.28Å; K163-I166 VanDerWaalsContact O-CG2 3.3Å; K163-I166 WeakPolarHBondContact O-CG2 3.3Å; K163-D167 PolarHBondContact O-N 3.2Å
164	R	71.1	Confident	70.8	Confident	121 Å²	121	67.9 Å²	67.9	46%	0.457	33%	0.329	S	S	.	.	H	α-helix	trans	-71	-26.9	174.7	-75.3	-171.8	175.9	98.9	-1.6	112.7	Y103 Q160 V162 S168	Y103-R164 VanDerWaalsContact CZ-NH1 3.27Å; Y103-R164 PolarHBondContact OH-NH1 2.96Å; Q160-R164 WeakPolarHBondContact O-CB 2.82Å; Q160-R164 WeakPolarHBondContact O-CG 3.47Å; Q160-R164 PolarHBondContact O-N 2.81Å; V162-R164 PolarHBondContact O-N 3.03Å; R164-S168 PolarHBondContact O-N 3.21Å
165	M	66.5	Low	69.5	Low	17 Å²	17	72.8 Å²	72.8	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-66.3	-45.2	176.4	-168.2	-176.8	-46.1	0	0	111.4	L35 F51 S161 V162 K163 D167 S168 T171	L35-M165 HydrophobicContact CD2-CE 4.43Å; L35-M165 HydrophobicContact CD2-CG 4.35Å; L35-M165 HydrophobicContact CD2-SD 3.22Å; L35-M165 WeakPolarHBondContact CD2-SD 3.3Å; F51-M165 HydrophobicContact CD1-CE 4.36Å; F51-M165 HydrophobicContact CE1-CE 3.51Å; F51-M165 HydrophobicContact CE1-SD 4.24Å; F51-M165 HydrophobicContact CE2-CE 4.33Å; F51-M165 HydrophobicContact CE2-SD 4.21Å; F51-M165 HydrophobicContact CZ-CE 3.48Å; F51-M165 VanDerWaalsContact CZ-CE 3.48Å; F51-M165 HydrophobicContact CZ-SD 3.58Å; F51-M165 VanDerWaalsContact CZ-SD 3.58Å; S161-M165 WeakPolarHBondContact O-CB 2.98Å; S161-M165 PolarHBondContact O-N 3.41Å; S161-M165 VanDerWaalsContact O-N 3.16Å; V162-M165 VanDerWaalsContact O-CB 3.31Å; V162-M165 WeakPolarHBondContact O-CB 3.23Å; V162-M165 PolarHBondContact O-N 3.48Å; K163-M165 VanDerWaalsContact C-N 3.28Å; M165-D167 VanDerWaalsContact C-N 3.29Å; M165-D167 PolarHBondContact O-N 3.21Å; M165-S168 PolarHBondContact O-N 3.47Å; M165-T171 PolarHBondContact O-OG1 2.9Å; M165-T171 VanDerWaalsContact O-OG1 3.05Å
166	I	66.5	Low	68.5	Low	52 Å²	52	77.2 Å²	77.2	27%	0.267	37%	0.369	S	S	.	.	H	α-helix	trans	-70.7	-26.6	-179.1	-154.4	114	0	0	0	113.2	V162 K163 S168 W173 Y176	V162-I166 PolarHBondContact O-N 3.47Å; K163-I166 VanDerWaalsContact O-CG2 3.3Å; K163-I166 WeakPolarHBondContact O-CG2 3.3Å; I166-S168 VanDerWaalsContact C-N 3.29Å; I166-W173 WeakPolarHBondContact CD1-O 3.32Å; I166-W173 WeakPolarHBondContact CG1-O 3.48Å; I166-Y176 HydrophobicContact CD1-CD1 4.22Å
167	D	65.7	Low	68	Low	140 Å²	140	79.9 Å²	79.9	75%	0.749	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.4	-179.6	-156.1	46.5	0	0	0	112.5	K163 M165 E169	K163-D167 PolarHBondContact O-N 3.2Å; M165-D167 VanDerWaalsContact C-N 3.29Å; M165-D167 PolarHBondContact O-N 3.21Å; D167-E169 PolarHBondContact O-N 3.48Å
168	S	60	Low	67.7	Low	36 Å²	36	82.9 Å²	82.9	25%	0.252	39%	0.386	S	S	.	.			trans	-81.4	115.8	179.1	-163.9	0	0	0	0	110.2	R164 M165 I166 D170 T171	R164-S168 PolarHBondContact O-N 3.21Å; M165-S168 PolarHBondContact O-N 3.47Å; I166-S168 VanDerWaalsContact C-N 3.29Å; S168-D170 PolarHBondContact O-N 3.45Å; S168-T171 PolarHBondContact O-N 2.96Å; S168-T171 VanDerWaalsContact O-N 3.1Å
169	E	50.3	Low	67.7	Low	201 Å²	201	83.4 Å²	83.4	94%	0.939	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-19	-177.3	-75.5	180	150.6	0	0	114.5	D167	D167-E169 PolarHBondContact O-N 3.48Å
170	D	50	Low	67.9	Low	130 Å²	130	84.1 Å²	84.1	70%	0.695	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.7	-180	-66.8	-42.7	0	0	0	114.5	F97 S168	F97-D170 HydrophobicContact CE1-CB 4.19Å; F97-D170 HydrophobicContact CZ-CB 3.62Å; S168-D170 PolarHBondContact O-N 3.45Å
171	T	49.6	Very low	68.2	Low	19 Å²	19	79.9 Å²	79.9	12%	0.117	37%	0.374	C	S	.	.			trans	-117.6	126.1	-175.4	84.6	0	0	0	0	112.7	F95 F97 M165 S168 W173	F95-T171 HydrophobicContact CE1-CG2 4.31Å; F95-T171 HydrophobicContact CZ-CG2 4.29Å; F97-T171 HydrophobicContact CE2-CG2 3.91Å; F97-T171 HydrophobicContact CZ-CG2 4.2Å; M165-T171 PolarHBondContact O-OG1 2.9Å; M165-T171 VanDerWaalsContact O-OG1 3.05Å; S168-T171 PolarHBondContact O-N 2.96Å; S168-T171 VanDerWaalsContact O-N 3.1Å; T171-W173 PolarHBondContact O-N 3.33Å
172	V	52.8	Low	68.7	Low	69 Å²	69	80.9 Å²	80.9	42%	0.418	38%	0.376	S	S	.	.			trans	-73.7	8.9	-174.6	-171.7	0	0	0	0	112.2	P37 H38	P37-V172 CarbonylContact C-O 3.56Å; H38-V172 HydrophobicContact CB-CG1 3.6Å; H38-V172 WeakPolarHBondContact CB-O 3.5Å; H38-V172 PolarHBondContact N-O 3.34Å; H38-V172 VanDerWaalsContact O-CG1 3.22Å; H38-V172 WeakPolarHBondContact O-CG1 3.06Å
173	W	56.3	Low	69.5	Low	36 Å²	36	83.5 Å²	83.5	14%	0.136	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	120.5	-172.9	-46.2	92.2	0	0	0	111.6	L35 S36 P37 A49 F95 I166 T171	L35-W173 HydrophobicContact CB-CD2 4.27Å; L35-W173 HydrophobicContact CB-CE3 3.71Å; L35-W173 HydrophobicContact CB-CZ3 4.29Å; L35-W173 HydrophobicContact CD2-CB 4.23Å; L35-W173 HydrophobicContact CD2-CG 4.24Å; S36-W173 VanDerWaalsContact C-CE3 3.43Å; P37-W173 HydrophobicContact CB-CD2 3.96Å; P37-W173 HydrophobicContact CB-CE3 3.6Å; P37-W173 HydrophobicContact CB-CH2 4.06Å; P37-W173 HydrophobicContact CB-CZ2 4.39Å; P37-W173 HydrophobicContact CB-CZ3 3.69Å; P37-W173 HydrophobicContact CG-CE3 3.9Å; P37-W173 HydrophobicContact CG-CH2 3.89Å; P37-W173 HydrophobicContact CG-CZ3 3.5Å; A49-W173 HydrophobicContact CB-CH2 4.28Å; A49-W173 HydrophobicContact CB-CZ3 4.24Å; F95-W173 AromaticContact CZ-NE1 3.94Å; I166-W173 WeakPolarHBondContact CD1-O 3.32Å; I166-W173 WeakPolarHBondContact CG1-O 3.48Å; T171-W173 PolarHBondContact O-N 3.33Å
174	I	55.7	Low	70.2	Confident	109 Å²	109	77.5 Å²	77.5	56%	0.559	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	-28.2	-174.5	-61.9	178.8	0	0	0	112.4	H38	H38-I174 HydrophobicContact CB-CD1 3.82Å; H38-I174 HydrophobicContact CB-CG1 4.37Å; H38-I174 WeakPolarHBondContact CD2-CD1 3.36Å
175	E	64	Low	71.2	Confident	104 Å²	104	71.7 Å²	71.7	49%	0.486	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.7	179	-69.5	-171.1	-173.7	0	0	111.7	S36 Y177	S36-E175 PolarHBondContact N-O 3.03Å; S36-E175 VanDerWaalsContact N-O 3.08Å; E175-Y177 HydrophobicContact CB-CE2 3.88Å; E175-Y177 WeakPolarHBondContact OE2-CE2 3.15Å; E175-Y177 PolarHBondContact OE2-OH 3.37Å
176	Y	70.2	Confident	72.5	Confident	99 Å²	99	73.1 Å²	73.1	39%	0.388	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.7	171.4	77	-88.1	0	0	0	110.4	V34 V162 I166 Y178	V34-Y176 WeakPolarHBondContact O-CA 3.46Å; V162-Y176 HydrophobicContact CG1-CD2 4.31Å; V162-Y176 HydrophobicContact CG1-CG 4.26Å; I166-Y176 HydrophobicContact CD1-CD1 4.22Å; Y176-Y178 HydrophobicContact CD2-CE2 4.45Å; Y176-Y178 HydrophobicContact CE2-CD2 4.35Å; Y176-Y178 HydrophobicContact CE2-CE1 4.38Å; Y176-Y178 AromaticContact CE2-CE2 3.69Å; Y176-Y178 HydrophobicContact CE2-CE2 3.69Å; Y176-Y178 AromaticContact CE2-CZ 3.69Å
177	Y	78.6	Confident	73.9	Confident	134 Å²	134	72.6 Å²	72.6	53%	0.525	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.3	175.4	-63.9	-88.5	0	0	0	109.5	A33 V34 E175 S179	A33-Y177 CarbonylContact C-O 3.6Å; A33-Y177 WeakPolarHBondContact CA-O 3.31Å; V34-Y177 PolarHBondContact N-O 3.37Å; V34-Y177 PolarHBondContact O-N 3.48Å; E175-Y177 HydrophobicContact CB-CE2 3.88Å; E175-Y177 WeakPolarHBondContact OE2-CE2 3.15Å; E175-Y177 PolarHBondContact OE2-OH 3.37Å; Y177-S179 PolarHBondContact O-N 3.03Å
178	Y	81.6	Confident	75.3	Confident	84 Å²	84	65.9 Å²	65.9	33%	0.329	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.3	170	-65.9	-62.8	0	0	0	109.7	R159 Y176 F182	R159-Y178 WeakPolarHBondContact CG-OH 3.33Å; Y176-Y178 HydrophobicContact CD2-CE2 4.45Å; Y176-Y178 HydrophobicContact CE2-CD2 4.35Å; Y176-Y178 HydrophobicContact CE2-CE1 4.38Å; Y176-Y178 AromaticContact CE2-CE2 3.69Å; Y176-Y178 HydrophobicContact CE2-CE2 3.69Å; Y176-Y178 AromaticContact CE2-CZ 3.69Å; Y178-F182 HydrophobicContact CD1-CB 4.38Å; Y178-F182 HydrophobicContact CD1-CD1 4.14Å; Y178-F182 AromaticContact CD1-CD2 3.69Å; Y178-F182 HydrophobicContact CD1-CD2 3.69Å; Y178-F182 HydrophobicContact CD1-CE1 4.36Å; Y178-F182 AromaticContact CD1-CE2 3.91Å; Y178-F182 HydrophobicContact CD1-CE2 3.91Å; Y178-F182 AromaticContact CD1-CG 3.81Å; Y178-F182 HydrophobicContact CD1-CG 3.81Å; Y178-F182 HydrophobicContact CD1-CZ 4.26Å; Y178-F182 HydrophobicContact CD2-CE1 4.44Å; Y178-F182 HydrophobicContact CE1-CD2 4.03Å; Y178-F182 AromaticContact CE1-CE2 3.82Å; Y178-F182 HydrophobicContact CE1-CE2 3.82Å; Y178-F182 HydrophobicContact CE1-CZ 4.19Å; Y178-F182 HydrophobicContact CG-CD1 4.02Å; Y178-F182 HydrophobicContact CG-CD2 4.39Å; Y178-F182 HydrophobicContact CG-CE1 4.25Å; Y178-F182 HydrophobicContact CG-CG 4.1Å
179	S	83.6	Confident	77	Confident	23 Å²	23	66.1 Å²	66.1	16%	0.161	33%	0.329	C	S	.	.			trans	-96.1	177.3	178.8	-87.2	0	0	0	0	111.7	H31 W32 V34 Y177 S181 F182	H31-S179 VanDerWaalsContact C-CB 3.46Å; H31-S179 CarbonylContact O-C 3.43Å; H31-S179 WeakPolarHBondContact O-CB 3.31Å; W32-S179 PolarHBondContact O-N 3.25Å; V34-S179 WeakPolarHBondContact CG2-OG 3.23Å; Y177-S179 PolarHBondContact O-N 3.03Å; S179-S181 VanDerWaalsContact C-N 3.26Å; S179-S181 PolarHBondContact O-N 3.12Å; S179-F182 WeakPolarHBondContact O-CB 3.31Å; S179-F182 PolarHBondContact O-N 2.73Å; S179-F182 VanDerWaalsContact O-N 3.13Å
180	W	87.8	Confident	79.2	Confident	132 Å²	132	59.9 Å²	59.9	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-26.5	-173.5	57.8	-91.7	0	0	0	114.3	T29 H31 F182 A183 C184	T29-W180 HydrophobicContact CG2-CH2 3.29Å; T29-W180 HydrophobicContact CG2-CZ2 4.17Å; T29-W180 HydrophobicContact CG2-CZ3 3.86Å; H31-W180 HydrophobicContact CB-CD2 4.39Å; H31-W180 HydrophobicContact CB-CZ2 4.05Å; H31-W180 AromaticContact CD2-CE2 3.9Å; H31-W180 AromaticContact CD2-CZ2 3.59Å; H31-W180 AromaticContact CD2-NE1 3.75Å; H31-W180 AromaticContact CG-CE2 3.94Å; H31-W180 AromaticContact CG-NE1 3.5Å; W180-F182 VanDerWaalsContact C-N 3.3Å; W180-F182 PolarHBondContact O-N 2.75Å; W180-A183 PolarHBondContact O-N 3.12Å; W180-C184 PolarHBondContact O-N 3.38Å; W180-C184 PolarHBondContact O-SG 2.83Å
181	S	89.4	Confident	81.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.5	-33.6	176.7	-50.9	0	0	0	0	111.8	T29 H31 S179 C184 A185	T29-S181 WeakPolarHBondContact CB-OG 3.49Å; T29-S181 VanDerWaalsContact OG1-CB 3.29Å; T29-S181 WeakPolarHBondContact OG1-CB 3.5Å; T29-S181 PolarHBondContact OG1-OG 3.01Å; H31-S181 WeakPolarHBondContact CB-OG 3.4Å; H31-S181 WeakPolarHBondContact O-CB 3.39Å; H31-S181 PolarHBondContact O-N 2.91Å; H31-S181 VanDerWaalsContact O-N 3.11Å; H31-S181 PolarHBondContact O-OG 2.79Å; H31-S181 VanDerWaalsContact O-OG 3.09Å; S179-S181 VanDerWaalsContact C-N 3.26Å; S179-S181 PolarHBondContact O-N 3.12Å; S181-C184 PolarHBondContact O-N 3.25Å; S181-A185 WeakPolarHBondContact O-CB 3.48Å; S181-A185 PolarHBondContact O-N 2.04Å
182	F	89.4	Confident	83.6	Confident	35 Å²	35	55.4 Å²	55.4	15%	0.154	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-46.9	174.4	-177.3	-89.6	0	0	0	110.9	W32 V155 Y178 S179 W180 C184 A185 C186	W32-F182 HydrophobicContact CE3-CD2 4.41Å; V155-F182 HydrophobicContact CG1-CD2 4.27Å; V155-F182 HydrophobicContact CG1-CE2 3.49Å; V155-F182 VanDerWaalsContact CG1-CE2 3.49Å; V155-F182 HydrophobicContact CG1-CZ 3.82Å; Y178-F182 HydrophobicContact CD1-CB 4.38Å; Y178-F182 HydrophobicContact CD1-CD1 4.14Å; Y178-F182 AromaticContact CD1-CD2 3.69Å; Y178-F182 HydrophobicContact CD1-CD2 3.69Å; Y178-F182 HydrophobicContact CD1-CE1 4.36Å; Y178-F182 AromaticContact CD1-CE2 3.91Å; Y178-F182 HydrophobicContact CD1-CE2 3.91Å; Y178-F182 AromaticContact CD1-CG 3.81Å; Y178-F182 HydrophobicContact CD1-CG 3.81Å; Y178-F182 HydrophobicContact CD1-CZ 4.26Å; Y178-F182 HydrophobicContact CD2-CE1 4.44Å; Y178-F182 HydrophobicContact CE1-CD2 4.03Å; Y178-F182 AromaticContact CE1-CE2 3.82Å; Y178-F182 HydrophobicContact CE1-CE2 3.82Å; Y178-F182 HydrophobicContact CE1-CZ 4.19Å; Y178-F182 HydrophobicContact CG-CD1 4.02Å; Y178-F182 HydrophobicContact CG-CD2 4.39Å; Y178-F182 HydrophobicContact CG-CE1 4.25Å; Y178-F182 HydrophobicContact CG-CG 4.1Å; S179-F182 WeakPolarHBondContact O-CB 3.31Å; S179-F182 PolarHBondContact O-N 2.73Å; S179-F182 VanDerWaalsContact O-N 3.13Å; W180-F182 VanDerWaalsContact C-N 3.3Å; W180-F182 PolarHBondContact O-N 2.75Å; F182-C184 VanDerWaalsContact C-N 3.31Å; F182-C184 PolarHBondContact O-N 3.5Å; F182-A185 WeakPolarHBondContact O-CB 3.41Å; F182-A185 PolarHBondContact O-N 2.9Å; F182-C186 PolarHBondContact O-N 3.03Å; F182-C186 PolarHBondContact O-SG 2.9Å
183	A	92	Very high	85.7	Confident	59 Å²	59	54.8 Å²	54.8	49%	0.488	27%	0.271	S	S	.	.	H	α-helix	trans	-61.8	-39.7	175.1	0	0	0	0	0	111.9	W180 C186 A187	W180-A183 PolarHBondContact O-N 3.12Å; A183-C186 PolarHBondContact O-N 3.5Å; A183-A187 WeakPolarHBondContact O-CB 3.27Å; A183-A187 PolarHBondContact O-N 3.44Å
184	C	92.9	Very high	87.5	Confident	27 Å²	27	57.8 Å²	57.8	18%	0.182	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-42	173.8	-72.3	0	0	0	0	112.2	L22 A26 W180 S181 F182 A187 A188	L22-C184 HydrophobicContact CD2-CB 4.44Å; A26-C184 HydrophobicContact CB-CB 4.25Å; W180-C184 PolarHBondContact O-N 3.38Å; W180-C184 PolarHBondContact O-SG 2.83Å; S181-C184 PolarHBondContact O-N 3.25Å; F182-C184 VanDerWaalsContact C-N 3.31Å; F182-C184 PolarHBondContact O-N 3.5Å; C184-A187 PolarHBondContact O-N 2.98Å; C184-A188 VanDerWaalsContact O-CB 3.25Å; C184-A188 WeakPolarHBondContact O-CB 3.39Å; C184-A188 PolarHBondContact O-N 3.1Å
185	A	92.8	Very high	89.4	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-44.4	176.7	0	0	0	0	0	111.8	A26 W32 I151 V155 S181 F182 A188 F189	A26-A185 HydrophobicContact CB-CB 3.88Å; W32-A185 HydrophobicContact CH2-CB 3.65Å; W32-A185 HydrophobicContact CZ2-CB 4.26Å; W32-A185 HydrophobicContact CZ3-CB 3.97Å; I151-A185 HydrophobicContact CG2-CB 4.23Å; V155-A185 HydrophobicContact CG2-CB 3.72Å; S181-A185 WeakPolarHBondContact O-CB 3.48Å; S181-A185 PolarHBondContact O-N 2.04Å; F182-A185 WeakPolarHBondContact O-CB 3.41Å; F182-A185 PolarHBondContact O-N 2.9Å; A185-A188 PolarHBondContact O-N 3.01Å; A185-F189 PolarHBondContact O-N 3.05Å
186	C	93.8	Very high	90.8	Very high	46 Å²	46	48.1 Å²	48.1	31%	0.311	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-43.6	175.4	-68.4	0	0	0	0	112	F182 A183 F189 V190	F182-C186 PolarHBondContact O-N 3.03Å; F182-C186 PolarHBondContact O-SG 2.9Å; A183-C186 PolarHBondContact O-N 3.5Å; C186-F189 WeakPolarHBondContact O-CB 3.17Å; C186-F189 PolarHBondContact O-N 2.72Å; C186-V190 WeakPolarHBondContact O-CG2 3.5Å; C186-V190 PolarHBondContact O-N 2.99Å; C186-V190 VanDerWaalsContact O-N 3.07Å
187	A	95.3	Very high	92	Very high	41 Å²	41	46.7 Å²	46.7	34%	0.339	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-41.9	175.8	0	0	0	0	0	111.6	L22 A183 C184 V190 L191	L22-A187 HydrophobicContact CD1-CB 4.23Å; A183-A187 WeakPolarHBondContact O-CB 3.27Å; A183-A187 PolarHBondContact O-N 3.44Å; C184-A187 PolarHBondContact O-N 2.98Å; A187-V190 PolarHBondContact O-N 2.94Å; A187-L191 WeakPolarHBondContact O-CB 3.41Å; A187-L191 WeakPolarHBondContact O-CG 3.14Å; A187-L191 PolarHBondContact O-N 3.37Å
188	A	95.4	Very high	92.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-43.5	175.3	0	0	0	0	0	111.8	L22 A23 I151 C184 A185 V190 L191 L192	L22-A188 HydrophobicContact CB-CB 3.89Å; A23-A188 HydrophobicContact CB-CB 3.93Å; I151-A188 HydrophobicContact CD1-CB 4.39Å; C184-A188 VanDerWaalsContact O-CB 3.25Å; C184-A188 WeakPolarHBondContact O-CB 3.39Å; C184-A188 PolarHBondContact O-N 3.1Å; A185-A188 PolarHBondContact O-N 3.01Å; A188-V190 PolarHBondContact O-N 3.36Å; A188-L191 PolarHBondContact O-N 3.33Å; A188-L192 VanDerWaalsContact O-CB 3.29Å; A188-L192 WeakPolarHBondContact O-CB 2.96Å; A188-L192 VanDerWaalsContact O-CG 3.26Å; A188-L192 WeakPolarHBondContact O-CG 3.09Å; A188-L192 PolarHBondContact O-N 3.02Å
189	F	95.8	Very high	93.1	Very high	41 Å²	41	37.7 Å²	37.7	18%	0.18	21%	0.214	C	C	.	.	H	α-helix	trans	-54.8	-53.6	173.3	158	-111.4	0	0	0	111.1	G148 L149 I151 L152 A185 C186 L191 L192 F193	G148-F189 VanDerWaalsContact O-CD2 3.27Å; G148-F189 WeakPolarHBondContact O-CD2 3.44Å; L149-F189 HydrophobicContact CD2-CE2 4.45Å; I151-F189 HydrophobicContact CG2-CB 4.4Å; L152-F189 HydrophobicContact CB-CD2 3.87Å; L152-F189 HydrophobicContact CB-CE2 4.02Å; L152-F189 HydrophobicContact CB-CG 4.27Å; L152-F189 HydrophobicContact CD1-CD1 3.76Å; L152-F189 HydrophobicContact CD1-CD2 4.17Å; L152-F189 HydrophobicContact CD1-CE1 3.62Å; L152-F189 HydrophobicContact CD1-CE2 4.03Å; L152-F189 HydrophobicContact CD1-CG 4.04Å; L152-F189 HydrophobicContact CD1-CZ 3.75Å; L152-F189 HydrophobicContact CG-CE2 4.44Å; A185-F189 PolarHBondContact O-N 3.05Å; C186-F189 WeakPolarHBondContact O-CB 3.17Å; C186-F189 PolarHBondContact O-N 2.72Å; F189-L191 VanDerWaalsContact C-N 3.33Å; F189-L191 PolarHBondContact O-N 3.45Å; F189-L192 PolarHBondContact O-N 2.92Å; F189-F193 HydrophobicContact CD2-CB 4.05Å; F189-F193 HydrophobicContact CE2-CB 3.76Å; F189-F193 HydrophobicContact CE2-CD1 4.31Å; F189-F193 HydrophobicContact CE2-CD2 4.38Å; F189-F193 AromaticContact CE2-CG 3.9Å; F189-F193 HydrophobicContact CE2-CG 3.9Å; F189-F193 HydrophobicContact CZ-CB 4.39Å; F189-F193 HydrophobicContact CZ-CD1 4.31Å; F189-F193 HydrophobicContact CZ-CG 4.36Å; F189-F193 WeakPolarHBondContact O-CB 2.89Å; F189-F193 PolarHBondContact O-N 2.87Å
190	V	96.6	Very high	93.4	Very high	70 Å²	70	38.3 Å²	38.3	42%	0.424	22%	0.215	S	C	.	.	H	α-helix	trans	-60.1	-45.4	-177.8	174.6	0	0	0	0	110.8	C186 A187 A188 L194	C186-V190 WeakPolarHBondContact O-CG2 3.5Å; C186-V190 PolarHBondContact O-N 2.99Å; C186-V190 VanDerWaalsContact O-N 3.07Å; A187-V190 PolarHBondContact O-N 2.94Å; A188-V190 PolarHBondContact O-N 3.36Å; V190-L194 HydrophobicContact CG1-CD1 3.7Å; V190-L194 HydrophobicContact CG1-CG 4.34Å; V190-L194 VanDerWaalsContact O-CB 3.23Å; V190-L194 WeakPolarHBondContact O-CB 3.19Å; V190-L194 WeakPolarHBondContact O-CG 3.38Å; V190-L194 PolarHBondContact O-N 3.28Å
191	L	96.3	Very high	93.4	Very high	55 Å²	55	38 Å²	38	29%	0.288	22%	0.223	S	C	.	.	H	α-helix	trans	-66.7	-43.4	-179.5	-72.3	172.7	0	0	0	112.9	L22 A187 A188 F189 G195	L22-L191 HydrophobicContact CD1-CD1 3.76Å; A187-L191 WeakPolarHBondContact O-CB 3.41Å; A187-L191 WeakPolarHBondContact O-CG 3.14Å; A187-L191 PolarHBondContact O-N 3.37Å; A188-L191 PolarHBondContact O-N 3.33Å; F189-L191 VanDerWaalsContact C-N 3.33Å; F189-L191 PolarHBondContact O-N 3.45Å; L191-G195 WeakPolarHBondContact O-CA 3.22Å; L191-G195 PolarHBondContact O-N 3.47Å
192	L	95.7	Very high	93.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-72.9	-41.3	-179.5	-69.5	173.6	0	0	0	111.8	I16 I20 A23 Y144 I151 A188 F189 G196	I16-L192 HydrophobicContact CG2-CD2 4.04Å; I20-L192 HydrophobicContact CG1-CD2 3.93Å; A23-L192 HydrophobicContact CB-CD1 4.16Å; Y144-L192 HydrophobicContact CD1-CD2 4.35Å; I151-L192 HydrophobicContact CD1-CD1 3.77Å; A188-L192 VanDerWaalsContact O-CB 3.29Å; A188-L192 WeakPolarHBondContact O-CB 2.96Å; A188-L192 VanDerWaalsContact O-CG 3.26Å; A188-L192 WeakPolarHBondContact O-CG 3.09Å; A188-L192 PolarHBondContact O-N 3.02Å; F189-L192 PolarHBondContact O-N 2.92Å; L192-G196 WeakPolarHBondContact O-CA 3.22Å; L192-G196 PolarHBondContact O-N 2.65Å
193	F	96.2	Very high	93	Very high	55 Å²	55	40.5 Å²	40.5	24%	0.241	23%	0.234	C	C	.	.	H	α-helix	trans	-71.1	-54.6	-179.3	-176	-107.4	0	0	0	111.8	A145 L149 F189 G196 L197	A145-F193 HydrophobicContact CB-CD2 4.43Å; L149-F193 HydrophobicContact CD1-CE2 4.18Å; L149-F193 HydrophobicContact CD2-CD2 4Å; L149-F193 HydrophobicContact CD2-CE2 3.75Å; L149-F193 HydrophobicContact CD2-CZ 4.48Å; L149-F193 HydrophobicContact CG-CD2 3.95Å; L149-F193 HydrophobicContact CG-CE2 3.9Å; F189-F193 HydrophobicContact CD2-CB 4.05Å; F189-F193 HydrophobicContact CE2-CB 3.76Å; F189-F193 HydrophobicContact CE2-CD1 4.31Å; F189-F193 HydrophobicContact CE2-CD2 4.38Å; F189-F193 AromaticContact CE2-CG 3.9Å; F189-F193 HydrophobicContact CE2-CG 3.9Å; F189-F193 HydrophobicContact CZ-CB 4.39Å; F189-F193 HydrophobicContact CZ-CD1 4.31Å; F189-F193 HydrophobicContact CZ-CG 4.36Å; F189-F193 WeakPolarHBondContact O-CB 2.89Å; F189-F193 PolarHBondContact O-N 2.87Å; F193-G196 PolarHBondContact O-N 2.99Å; F193-L197 HydrophobicContact CD1-CD1 4.01Å; F193-L197 HydrophobicContact CE1-CD1 3.52Å; F193-L197 HydrophobicContact CE2-CD1 4.2Å; F193-L197 HydrophobicContact CZ-CD1 3.64Å; F193-L197 WeakPolarHBondContact O-CG 3.38Å; F193-L197 PolarHBondContact O-N 3.47Å
194	L	95.6	Very high	92.5	Very high	99 Å²	99	41 Å²	41	52%	0.518	23%	0.228	S	C	.	.	H	α-helix	trans	-69	-36.7	178.2	-62.1	-178.3	0	0	0	111.5	V190 L197 A198	V190-L194 HydrophobicContact CG1-CD1 3.7Å; V190-L194 HydrophobicContact CG1-CG 4.34Å; V190-L194 VanDerWaalsContact O-CB 3.23Å; V190-L194 WeakPolarHBondContact O-CB 3.19Å; V190-L194 WeakPolarHBondContact O-CG 3.38Å; V190-L194 PolarHBondContact O-N 3.28Å; L194-L197 PolarHBondContact O-N 3.18Å; L194-A198 WeakPolarHBondContact O-CB 3.08Å; L194-A198 PolarHBondContact O-N 2.8Å
195	G	94.4	Very high	91.7	Very high	9 Å²	9	41.7 Å²	41.7	9%	0.093	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-43.8	174.2	0	0	0	0	0	112	T12 L191 A198 L199	T12-G195 VanDerWaalsContact CG2-O 3.32Å; T12-G195 WeakPolarHBondContact CG2-O 3.13Å; L191-G195 WeakPolarHBondContact O-CA 3.22Å; L191-G195 PolarHBondContact O-N 3.47Å; G195-A198 PolarHBondContact O-N 2.88Å; G195-L199 WeakPolarHBondContact O-CB 3.42Å; G195-L199 PolarHBondContact O-N 3.05Å
196	G	94	Very high	90.7	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-49.4	174.2	0	0	0	0	0	112.2	S141 L192 F193 L199 L200	S141-G196 WeakPolarHBondContact CB-O 3.33Å; L192-G196 WeakPolarHBondContact O-CA 3.22Å; L192-G196 PolarHBondContact O-N 2.65Å; F193-G196 PolarHBondContact O-N 2.99Å; G196-L199 PolarHBondContact O-N 2.81Å; G196-L200 WeakPolarHBondContact O-CB 3.46Å; G196-L200 PolarHBondContact O-N 2.97Å
197	L	94.1	Very high	89.8	Confident	69 Å²	69	58.5 Å²	58.5	36%	0.361	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-44.3	176.9	-72.3	173.2	0	0	0	112.6	F193 L194 L199 L200 L201	F193-L197 HydrophobicContact CD1-CD1 4.01Å; F193-L197 HydrophobicContact CE1-CD1 3.52Å; F193-L197 HydrophobicContact CE2-CD1 4.2Å; F193-L197 HydrophobicContact CZ-CD1 3.64Å; F193-L197 WeakPolarHBondContact O-CG 3.38Å; F193-L197 PolarHBondContact O-N 3.47Å; L194-L197 PolarHBondContact O-N 3.18Å; L197-L199 VanDerWaalsContact C-N 3.35Å; L197-L199 PolarHBondContact O-N 3.3Å; L197-L200 WeakPolarHBondContact O-CB 3.18Å; L197-L200 PolarHBondContact O-N 2.74Å; L197-L201 WeakPolarHBondContact O-CG 3.45Å; L197-L201 PolarHBondContact O-N 2.81Å
198	A	92.3	Very high	88.8	Confident	29 Å²	29	59 Å²	59	24%	0.24	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-41.9	177.1	0	0	0	0	0	111.4	T12 L194 G195 L200 L201 F202	T12-A198 HydrophobicContact CG2-CB 4.21Å; L194-A198 WeakPolarHBondContact O-CB 3.08Å; L194-A198 PolarHBondContact O-N 2.8Å; G195-A198 PolarHBondContact O-N 2.88Å; A198-L200 VanDerWaalsContact C-N 3.31Å; A198-L200 PolarHBondContact O-N 2.99Å; A198-L201 PolarHBondContact O-N 3.4Å; A198-F202 HydrophobicContact CB-CE2 4.27Å; A198-F202 WeakPolarHBondContact O-CB 3.45Å; A198-F202 VanDerWaalsContact O-CD2 3.28Å; A198-F202 WeakPolarHBondContact O-CD2 3.46Å; A198-F202 WeakPolarHBondContact O-CG 3.38Å; A198-F202 PolarHBondContact O-N 3.1Å
199	L	91.1	Very high	87.9	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.5	-37.4	176	-171.7	67.3	0	0	0	111.4	V9 T12 L13 I16 Y144 G195 G196 L197 F202 S203	V9-L199 HydrophobicContact CG1-CD1 3.93Å; T12-L199 HydrophobicContact CG2-CB 3.95Å; T12-L199 HydrophobicContact CG2-CD1 4.43Å; L13-L199 HydrophobicContact CD2-CD1 4.23Å; L13-L199 HydrophobicContact CD2-CD2 3.86Å; L13-L199 HydrophobicContact CG-CD1 4.27Å; I16-L199 HydrophobicContact CD1-CB 4.26Å; I16-L199 HydrophobicContact CD1-CD2 3.84Å; Y144-L199 HydrophobicContact CD2-CD2 4.49Å; G195-L199 WeakPolarHBondContact O-CB 3.42Å; G195-L199 PolarHBondContact O-N 3.05Å; G196-L199 PolarHBondContact O-N 2.81Å; L197-L199 VanDerWaalsContact C-N 3.35Å; L197-L199 PolarHBondContact O-N 3.3Å; L199-F202 PolarHBondContact O-N 2.94Å; L199-S203 VanDerWaalsContact O-CB 3.24Å; L199-S203 WeakPolarHBondContact O-CB 3.4Å; L199-S203 PolarHBondContact O-N 2.84Å; L199-S203 PolarHBondContact O-OG 2.04Å
200	L	90.9	Very high	87.2	Confident	37 Å²	37	71.1 Å²	71.1	19%	0.194	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-50.7	173.9	-176.5	63.3	0	0	0	110.6	S141 M142 G196 L197 A198 F202 S203 L204	S141-L200 WeakPolarHBondContact OG-CA 3.3Å; S141-L200 WeakPolarHBondContact OG-CB 2.96Å; S141-L200 WeakPolarHBondContact OG-CD1 3.33Å; M142-L200 HydrophobicContact CE-CD1 4.31Å; G196-L200 WeakPolarHBondContact O-CB 3.46Å; G196-L200 PolarHBondContact O-N 2.97Å; L197-L200 WeakPolarHBondContact O-CB 3.18Å; L197-L200 PolarHBondContact O-N 2.74Å; A198-L200 VanDerWaalsContact C-N 3.31Å; A198-L200 PolarHBondContact O-N 2.99Å; L200-F202 VanDerWaalsContact C-N 3.28Å; L200-F202 PolarHBondContact O-N 3.08Å; L200-S203 WeakPolarHBondContact CA-OG 3.22Å; L200-S203 PolarHBondContact O-N 3.16Å; L200-S203 VanDerWaalsContact O-N 3.15Å; L200-S203 PolarHBondContact O-OG 3.05Å; L200-L204 HydrophobicContact CD1-CD1 4.27Å; L200-L204 HydrophobicContact CD1-CG 4.33Å; L200-L204 HydrophobicContact CG-CD1 3.99Å; L200-L204 HydrophobicContact CG-CG 4.48Å; L200-L204 WeakPolarHBondContact O-CB 3.25Å; L200-L204 VanDerWaalsContact O-CG 3.3Å; L200-L204 WeakPolarHBondContact O-CG 3.46Å; L200-L204 PolarHBondContact O-N 2.82Å
201	L	88.6	Confident	86.4	Confident	125 Å²	125	73.8 Å²	73.8	65%	0.654	37%	0.366	S	S	*	.	H	α-helix	trans	-62.4	-34.1	178.5	-68.2	174.2	0	0	0	112.8	L197 A198	L197-L201 WeakPolarHBondContact O-CG 3.45Å; L197-L201 PolarHBondContact O-N 2.81Å; A198-L201 PolarHBondContact O-N 3.4Å
202	F	86.6	Confident	85.5	Confident	85 Å²	85	80.3 Å²	80.3	37%	0.373	39%	0.387	S	S	.	.	H	α-helix	trans	-79	-23.8	176.8	-62.9	-21.4	0	0	0	113.6	Q3 K8 V9 T12 A198 L199 L200	Q3-F202 PolarHBondContact NE2-O 3.34Å; Q3-F202 VanDerWaalsContact NE2-O 3.16Å; K8-F202 HydrophobicContact CB-CD2 4.3Å; K8-F202 HydrophobicContact CB-CE2 4.21Å; V9-F202 HydrophobicContact CG2-CB 4.09Å; T12-F202 WeakPolarHBondContact OG1-CE2 3.22Å; A198-F202 HydrophobicContact CB-CE2 4.27Å; A198-F202 WeakPolarHBondContact O-CB 3.45Å; A198-F202 VanDerWaalsContact O-CD2 3.28Å; A198-F202 WeakPolarHBondContact O-CD2 3.46Å; A198-F202 WeakPolarHBondContact O-CG 3.38Å; A198-F202 PolarHBondContact O-N 3.1Å; L199-F202 PolarHBondContact O-N 2.94Å; L200-F202 VanDerWaalsContact C-N 3.28Å; L200-F202 PolarHBondContact O-N 3.08Å
203	S	83.3	Confident	84.5	Confident	2 Å²	2	83.9 Å²	83.9	1%	0.014	40%	0.404	C	S	.	.	H	α-helix	trans	-91.4	-17	176.9	62.4	0	0	0	0	113.4	Q3 R138 L199 L200	Q3-S203 PolarHBondContact NE2-O 3.02Å; Q3-S203 VanDerWaalsContact OE1-CA 3.29Å; Q3-S203 PolarHBondContact OE1-O 3.12Å; Q3-S203 VanDerWaalsContact OE1-O 3.04Å; R138-S203 PolarHBondContact NE-O 3.17Å; L199-S203 VanDerWaalsContact O-CB 3.24Å; L199-S203 WeakPolarHBondContact O-CB 3.4Å; L199-S203 PolarHBondContact O-N 2.84Å; L199-S203 PolarHBondContact O-OG 2.04Å; L200-S203 WeakPolarHBondContact CA-OG 3.22Å; L200-S203 PolarHBondContact O-N 3.16Å; L200-S203 VanDerWaalsContact O-N 3.15Å; L200-S203 PolarHBondContact O-OG 3.05Å
204	L	82.2	Confident	83.5	Confident	70 Å²	70	84.9 Å²	84.9	37%	0.366	42%	0.418	S	S	.	.	S	Bend	trans	-72.1	144.9	170.2	-76.1	166.7	0	0	0	110.5	Q3 L200	Q3-L204 PolarHBondContact NE2-O 3.16Å; L200-L204 HydrophobicContact CD1-CD1 4.27Å; L200-L204 HydrophobicContact CD1-CG 4.33Å; L200-L204 HydrophobicContact CG-CD1 3.99Å; L200-L204 HydrophobicContact CG-CG 4.48Å; L200-L204 WeakPolarHBondContact O-CB 3.25Å; L200-L204 VanDerWaalsContact O-CG 3.3Å; L200-L204 WeakPolarHBondContact O-CG 3.46Å; L200-L204 PolarHBondContact O-N 2.82Å
205	P	76.1	Confident	82.2	Confident	42 Å²	42	83.3 Å²	83.3	27%	0.273	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-57.5	145.8	168.5	-21.1	36.5	0	0	0	108.9	C215	P205-C215 WeakPolarHBondContact CB-O 3.36Å; P205-C215 WeakPolarHBondContact CG-O 3.43Å
206	R	70.5	Confident	81	Confident	227 Å²	227	89.8 Å²	89.8	86%	0.857	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-61.8	144.4	176.7	-78.7	-177.1	175.3	155.1	0.3	109.2
207	M	74.5	Confident	79.4	Confident	171 Å²	171	94.2 Å²	94.2	84%	0.842	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-56.2	128.8	173.5	-157.2	174.4	-154.3	0	0	108.6	R209	M207-R209 PolarHBondContact O-N 2.95Å
208	P	75.9	Confident	77.6	Confident	52 Å²	52	95.3 Å²	95.3	34%	0.338	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-60.2	126.9	-179.1	21.8	-30.9	0	0	0	109.2	E213	P208-E213 WeakPolarHBondContact CA-OE2 3.08Å; P208-E213 HydrophobicContact CB-CB 3.5Å; P208-E213 VanDerWaalsContact CB-CB 3.5Å; P208-E213 WeakPolarHBondContact CB-O 3.09Å
209	R	76.3	Confident	75.8	Confident	233 Å²	233	102.2 Å²	102.2	88%	0.879	51%	0.513	S	S	*	.			trans	-95.2	-23.1	-180	-120.4	177.6	-176.6	159	0.1	111.6	M207 E213	M207-R209 PolarHBondContact O-N 2.95Å; R209-E213 PolarHBondContact N-OE2 2.76Å
210	N	79.8	Confident	73.8	Confident	63 Å²	63	107.1 Å²	107.1	34%	0.337	55%	0.546	S	S	.	.	S	Bend	trans	-112.8	149.2	-178.6	-59.5	-54.2	0	0	0	110.1	W212 E213	N210-W212 HydrophobicContact CB-CD2 3.86Å; N210-W212 VanDerWaalsContact CB-CE2 3.43Å; N210-W212 HydrophobicContact CB-CE3 4.24Å; N210-W212 HydrophobicContact CB-CG 4.45Å; N210-W212 HydrophobicContact CB-CH2 3.89Å; N210-W212 HydrophobicContact CB-CZ2 3.47Å; N210-W212 VanDerWaalsContact CB-CZ2 3.47Å; N210-W212 HydrophobicContact CB-CZ3 4.26Å; N210-W212 PolarHBondContact O-N 3.34Å; N210-W212 VanDerWaalsContact O-N 3.14Å; N210-E213 HydrophobicContact CB-CG 4.17Å; N210-E213 PolarHBondContact N-OE2 2.85Å; N210-E213 PolarHBondContact ND2-OE1 3.14Å; N210-E213 PolarHBondContact O-N 2.93Å; N210-E213 VanDerWaalsContact O-N 3.13Å
211	P	80.5	Confident	71.2	Confident	125 Å²	125	114.6 Å²	114.6	81%	0.812	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-12.9	-175.6	23.8	-31.5	0	0	0	114.8
212	W	76.6	Confident	68.8	Low	193 Å²	193	120.4 Å²	120.4	73%	0.731	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-4.5	176	56.5	80.6	0	0	0	113.9	N210	N210-W212 HydrophobicContact CB-CD2 3.86Å; N210-W212 VanDerWaalsContact CB-CE2 3.43Å; N210-W212 HydrophobicContact CB-CE3 4.24Å; N210-W212 HydrophobicContact CB-CG 4.45Å; N210-W212 HydrophobicContact CB-CH2 3.89Å; N210-W212 HydrophobicContact CB-CZ2 3.47Å; N210-W212 VanDerWaalsContact CB-CZ2 3.47Å; N210-W212 HydrophobicContact CB-CZ3 4.26Å; N210-W212 PolarHBondContact O-N 3.34Å; N210-W212 VanDerWaalsContact O-N 3.14Å
213	E	76.1	Confident	67.9	Low	74 Å²	74	122.2 Å²	122.2	35%	0.346	61%	0.614	S	S	.	*			trans	-86.1	126.4	175	-70.9	169.2	-174.9	0	0	109.5	P208 R209 N210 D217	P208-E213 WeakPolarHBondContact CA-OE2 3.08Å; P208-E213 HydrophobicContact CB-CB 3.5Å; P208-E213 VanDerWaalsContact CB-CB 3.5Å; P208-E213 WeakPolarHBondContact CB-O 3.09Å; R209-E213 PolarHBondContact N-OE2 2.76Å; N210-E213 HydrophobicContact CB-CG 4.17Å; N210-E213 PolarHBondContact N-OE2 2.85Å; N210-E213 PolarHBondContact ND2-OE1 3.14Å; N210-E213 PolarHBondContact O-N 2.93Å; N210-E213 VanDerWaalsContact O-N 3.13Å; E213-D217 WeakPolarHBondContact CA-OD2 3.42Å
214	S	75.3	Confident	67.1	Low	76 Å²	76	128.5 Å²	128.5	53%	0.531	65%	0.646	S	S	.	*			trans	-99.6	146.2	167.6	-164.1	0	0	0	0	110.8	M216 D217	S214-M216 PolarHBondContact O-N 2.9Å; S214-D217 WeakPolarHBondContact CB-OD1 3.41Å; S214-D217 VanDerWaalsContact N-CG 3.29Å; S214-D217 PolarHBondContact N-OD1 3.25Å; S214-D217 PolarHBondContact N-OD2 3.44Å; S214-D217 PolarHBondContact O-N 3.2Å; S214-D217 VanDerWaalsContact O-N 3.12Å
215	C	66.5	Low	66.2	Low	66 Å²	66	131.7 Å²	131.7	45%	0.446	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.6	-14.9	-175.9	-152.6	0	0	0	0	113.2	P205	P205-C215 WeakPolarHBondContact CB-O 3.36Å; P205-C215 WeakPolarHBondContact CG-O 3.43Å
216	M	69.4	Low	65.7	Low	145 Å²	145	137 Å²	137	71%	0.714	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137	56.9	170.3	-77	-102.8	-71.3	0	0	109.1	S214 A218	S214-M216 PolarHBondContact O-N 2.9Å; M216-A218 PolarHBondContact O-N 2.97Å
217	D	61.6	Low	65.4	Low	95 Å²	95	131.4 Å²	131.4	51%	0.508	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-61.2	135.7	170.9	-83.5	-29.5	0	0	0	110.6	E213 S214 E219	E213-D217 WeakPolarHBondContact CA-OD2 3.42Å; S214-D217 WeakPolarHBondContact CB-OD1 3.41Å; S214-D217 VanDerWaalsContact N-CG 3.29Å; S214-D217 PolarHBondContact N-OD1 3.25Å; S214-D217 PolarHBondContact N-OD2 3.44Å; S214-D217 PolarHBondContact O-N 3.2Å; S214-D217 VanDerWaalsContact O-N 3.12Å; D217-E219 PolarHBondContact O-N 2.77Å
218	A	55.2	Low	64.7	Low	91 Å²	91	128.7 Å²	128.7	75%	0.752	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-60.2	130.6	169.8	0	0	0	0	0	108.6	M216	M216-A218 PolarHBondContact O-N 2.97Å
219	E	56.1	Low	64	Low	174 Å²	174	134.2 Å²	134.2	81%	0.813	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-55.7	129.5	170.8	-89.4	172.8	149.5	0	0	108.2	D217 E221	D217-E219 PolarHBondContact O-N 2.77Å; E219-E221 PolarHBondContact O-N 2.91Å; E219-E221 VanDerWaalsContact O-N 3.15Å
220	P	47.9	Very low	63	Low	104 Å²	104	126.6 Å²	126.6	68%	0.675	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-61.5	122.6	179.1	23.6	-31.1	0	0	0	108.4	H222	P220-H222 PolarHBondContact O-N 2.98Å
221	E	36.8	Very low	61.6	Low	194 Å²	194	131.9 Å²	131.9	91%	0.907	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-60	121.2	172.9	-58.3	-156.2	177.5	0	0	108.1	E219	E219-E221 PolarHBondContact O-N 2.91Å; E219-E221 VanDerWaalsContact O-N 3.15Å
222	H	37.3	Very low	59.9	Low	246 Å²	246	132.5 Å²	132.5	100%	1.139	69%	0.687	S	S	*	*			trans	-125	0	169.4	-81.7	28.7	0	0	0	107.8	P220	P220-H222 PolarHBondContact O-N 2.98Å

Retrieved 222 of 222 residues in 100.6 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).