A0A3Q0KU14_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KU14, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.6	Low	59.6	Low	213 Å²	213	106.3 Å²	106.3	100%	1.049	57%	0.565	S	S	*	*				0	2.1	0	-79.7	170.1	62.2	0	0	114.2
2	V	55.2	Low	60.1	Low	100 Å²	100	100.8 Å²	100.8	61%	0.606	54%	0.536	S	S	*	.	H	α-helix	trans	-71.6	-34.1	179.7	178.8	0	0	0	0	112.6	L4 V5 W6	V2-L4 PolarHBondContact O-N 3.5Å; V2-V5 PolarHBondContact O-N 3.23Å; V2-W6 PolarHBondContact O-N 3.12Å
3	C	57.7	Low	60.3	Low	93 Å²	93	100.9 Å²	100.9	63%	0.628	54%	0.536	S	S	*	.	H	α-helix	trans	-61.9	-36.5	-176	-59.5	0	0	0	0	114.1	V5 W6 F7	C3-V5 PolarHBondContact O-N 3.33Å; C3-W6 PolarHBondContact O-N 2.71Å; C3-F7 VanDerWaalsContact O-CD2 3.24Å; C3-F7 WeakPolarHBondContact O-CD2 3.45Å; C3-F7 PolarHBondContact O-N 3.32Å
4	L	55.7	Low	60.3	Low	116 Å²	116	101.9 Å²	101.9	61%	0.607	54%	0.54	S	S	*	.	H	α-helix	trans	-65.3	-40.1	-179.5	-88.8	155.2	0	0	0	111.9	V2 F7 H8	V2-L4 PolarHBondContact O-N 3.5Å; L4-F7 PolarHBondContact O-N 3.31Å; L4-H8 PolarHBondContact O-CD2 2.7Å; L4-H8 PolarHBondContact O-N 2.95Å; L4-H8 VanDerWaalsContact O-N 3.13Å
5	V	59.1	Low	60	Low	78 Å²	78	102.3 Å²	102.3	47%	0.473	54%	0.542	S	S	.	.	H	α-helix	trans	-64.1	-45.7	177	-178	0	0	0	0	110	V2 C3 F7 H8 V9	V2-V5 PolarHBondContact O-N 3.23Å; C3-V5 PolarHBondContact O-N 3.33Å; V5-F7 VanDerWaalsContact C-N 3.32Å; V5-F7 PolarHBondContact O-N 3.04Å; V5-H8 PolarHBondContact O-N 3.22Å; V5-V9 HydrophobicContact CG1-CG2 4.35Å; V5-V9 WeakPolarHBondContact O-CG2 3.16Å; V5-V9 PolarHBondContact O-N 3.45Å
6	W	55	Low	59.5	Low	167 Å²	167	98.3 Å²	98.3	63%	0.633	52%	0.521	S	S	*	.	H	α-helix	trans	-61.5	-37.2	177.7	-82.3	72.6	0	0	0	113.2	V2 C3 H8 V9 A10	V2-W6 PolarHBondContact O-N 3.12Å; C3-W6 PolarHBondContact O-N 2.71Å; W6-H8 VanDerWaalsContact C-N 3.34Å; W6-V9 PolarHBondContact O-N 2.62Å; W6-A10 VanDerWaalsContact O-CB 3.25Å; W6-A10 WeakPolarHBondContact O-CB 3.28Å; W6-A10 PolarHBondContact O-N 2.74Å
7	F	60.5	Low	59.1	Low	153 Å²	153	99.6 Å²	99.6	67%	0.671	52%	0.523	S	S	*	.	H	α-helix	trans	-63.8	-39.4	173	-89.3	-71.7	0	0	0	112.2	C3 L4 V5 A11	C3-F7 VanDerWaalsContact O-CD2 3.24Å; C3-F7 WeakPolarHBondContact O-CD2 3.45Å; C3-F7 PolarHBondContact O-N 3.32Å; L4-F7 PolarHBondContact O-N 3.31Å; V5-F7 VanDerWaalsContact C-N 3.32Å; V5-F7 PolarHBondContact O-N 3.04Å; F7-A11 WeakPolarHBondContact O-CB 3.49Å; F7-A11 PolarHBondContact O-N 3.38Å
8	H	59.1	Low	58.5	Low	118 Å²	118	98.1 Å²	98.1	55%	0.546	52%	0.519	S	S	.	.	H	α-helix	trans	-67.6	-42	175.2	-69.4	-55	0	0	0	112	L4 V5 W6 A11 L12	L4-H8 PolarHBondContact O-CD2 2.7Å; L4-H8 PolarHBondContact O-N 2.95Å; L4-H8 VanDerWaalsContact O-N 3.13Å; V5-H8 PolarHBondContact O-N 3.22Å; W6-H8 VanDerWaalsContact C-N 3.34Å; H8-A11 PolarHBondContact O-N 3.35Å; H8-L12 WeakPolarHBondContact O-CB 3.44Å; H8-L12 WeakPolarHBondContact O-CD1 3.39Å; H8-L12 WeakPolarHBondContact O-CG 3.48Å; H8-L12 PolarHBondContact O-N 3.1Å
9	V	64	Low	58.1	Low	36 Å²	36	94.9 Å²	94.9	22%	0.218	51%	0.505	C	S	.	.	H	α-helix	trans	-62.1	-47.5	174.6	179.8	0	0	0	0	111	V5 W6 A11 L12 L13 M49	V5-V9 HydrophobicContact CG1-CG2 4.35Å; V5-V9 WeakPolarHBondContact O-CG2 3.16Å; V5-V9 PolarHBondContact O-N 3.45Å; W6-V9 PolarHBondContact O-N 2.62Å; V9-A11 PolarHBondContact O-N 3.19Å; V9-L12 PolarHBondContact O-N 3.35Å; V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 HydrophobicContact CG1-CG 4.29Å; V9-L13 WeakPolarHBondContact O-CB 3.47Å; V9-L13 WeakPolarHBondContact O-CG 3.5Å; V9-L13 PolarHBondContact O-N 3Å; V9-M49 HydrophobicContact CB-CE 4.43Å; V9-M49 HydrophobicContact CG1-CE 4.25Å; V9-M49 HydrophobicContact CG2-CE 3.55Å
10	A	66.7	Low	57.5	Low	46 Å²	46	95.1 Å²	95.1	38%	0.38	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-40.7	178.4	0	0	0	0	0	111.9	W6 L13 L14	W6-A10 VanDerWaalsContact O-CB 3.25Å; W6-A10 WeakPolarHBondContact O-CB 3.28Å; W6-A10 PolarHBondContact O-N 2.74Å; A10-L13 PolarHBondContact O-N 3.15Å; A10-L14 VanDerWaalsContact O-CB 3.31Å; A10-L14 WeakPolarHBondContact O-CB 3.49Å; A10-L14 WeakPolarHBondContact O-CD1 3.24Å; A10-L14 PolarHBondContact O-N 3.06Å
11	A	68.1	Low	56.6	Low	49 Å²	49	97.6 Å²	97.6	41%	0.405	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-40.1	175.3	0	0	0	0	0	111.9	F7 H8 V9 L14 L15	F7-A11 WeakPolarHBondContact O-CB 3.49Å; F7-A11 PolarHBondContact O-N 3.38Å; H8-A11 PolarHBondContact O-N 3.35Å; V9-A11 PolarHBondContact O-N 3.19Å; A11-L14 PolarHBondContact O-N 2.98Å; A11-L15 VanDerWaalsContact O-CG 3.28Å; A11-L15 WeakPolarHBondContact O-CG 3.42Å; A11-L15 PolarHBondContact O-N 3.27Å
12	L	65.7	Low	56	Low	41 Å²	41	91.3 Å²	91.3	22%	0.215	49%	0.492	C	S	.	.	H	α-helix	trans	-67.2	-40.4	175.2	-81.5	156.7	0	0	0	112.1	H8 V9 L15 L16 A45 M49	H8-L12 WeakPolarHBondContact O-CB 3.44Å; H8-L12 WeakPolarHBondContact O-CD1 3.39Å; H8-L12 WeakPolarHBondContact O-CG 3.48Å; H8-L12 PolarHBondContact O-N 3.1Å; V9-L12 PolarHBondContact O-N 3.35Å; L12-L15 WeakPolarHBondContact O-CB 3.38Å; L12-L15 PolarHBondContact O-N 3.44Å; L12-L16 PolarHBondContact O-N 3.37Å; L12-A45 HydrophobicContact CD2-CB 4.45Å; L12-M49 HydrophobicContact CD1-SD 4.09Å
13	L	62.8	Low	55.7	Low	102 Å²	102	93 Å²	93	53%	0.534	50%	0.498	S	S	.	.	H	α-helix	trans	-65.9	-38.8	173	-72.4	170.9	0	0	0	112	V9 A10 L15 L16 H17	V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 HydrophobicContact CG1-CG 4.29Å; V9-L13 WeakPolarHBondContact O-CB 3.47Å; V9-L13 WeakPolarHBondContact O-CG 3.5Å; V9-L13 PolarHBondContact O-N 3Å; A10-L13 PolarHBondContact O-N 3.15Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L16 HydrophobicContact CD2-CD1 4.1Å; L13-L16 WeakPolarHBondContact O-CB 3.4Å; L13-L16 PolarHBondContact O-N 3.49Å; L13-H17 PolarHBondContact O-N 3.11Å
14	L	59.4	Low	55.5	Low	114 Å²	114	91.4 Å²	91.4	60%	0.597	49%	0.485	S	S	*	.	H	α-helix	trans	-64.2	-37.1	171.9	-93	150.7	0	0	0	111.8	A10 A11 L16 H17 T18	A10-L14 VanDerWaalsContact O-CB 3.31Å; A10-L14 WeakPolarHBondContact O-CB 3.49Å; A10-L14 WeakPolarHBondContact O-CD1 3.24Å; A10-L14 PolarHBondContact O-N 3.06Å; A11-L14 PolarHBondContact O-N 2.98Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-H17 PolarHBondContact O-N 3.46Å; L14-T18 WeakPolarHBondContact O-CB 3.45Å; L14-T18 WeakPolarHBondContact O-CG2 3.43Å; L14-T18 PolarHBondContact O-N 2.96Å; L14-T18 PolarHBondContact O-OG1 3.37Å
15	L	56.2	Low	56	Low	109 Å²	109	91.5 Å²	91.5	57%	0.571	48%	0.482	S	S	*	.	H	α-helix	trans	-65.3	-35.8	172.6	-74	168.2	0	0	0	111.8	A11 L12 L13 T18 S19	A11-L15 VanDerWaalsContact O-CG 3.28Å; A11-L15 WeakPolarHBondContact O-CG 3.42Å; A11-L15 PolarHBondContact O-N 3.27Å; L12-L15 WeakPolarHBondContact O-CB 3.38Å; L12-L15 PolarHBondContact O-N 3.44Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L15-T18 WeakPolarHBondContact CA-OG1 3.42Å; L15-T18 PolarHBondContact O-OG1 2.92Å; L15-T18 VanDerWaalsContact O-OG1 3.13Å; L15-S19 WeakPolarHBondContact O-CB 3.48Å; L15-S19 PolarHBondContact O-N 3.48Å
16	L	52.9	Low	56.8	Low	38 Å²	38	88.3 Å²	88.3	20%	0.199	46%	0.463	C	S	.	.	H	α-helix	trans	-64.6	-47.6	170.8	-82	156.2	0	0	0	111.6	L12 L13 L14 T18 S19 T20 W42	L12-L16 PolarHBondContact O-N 3.37Å; L13-L16 HydrophobicContact CD2-CD1 4.1Å; L13-L16 WeakPolarHBondContact O-CB 3.4Å; L13-L16 PolarHBondContact O-N 3.49Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L16-T18 VanDerWaalsContact C-N 3.27Å; L16-T18 PolarHBondContact O-N 3.41Å; L16-S19 PolarHBondContact O-N 3.48Å; L16-S19 VanDerWaalsContact O-N 3.17Å; L16-T20 WeakPolarHBondContact O-CG2 3.45Å; L16-T20 PolarHBondContact O-N 2.95Å; L16-T20 PolarHBondContact O-OG1 3.37Å; L16-T20 VanDerWaalsContact O-OG1 3.08Å; L16-W42 HydrophobicContact CD1-CZ2 3.91Å; L16-W42 HydrophobicContact CD2-CZ2 4.02Å; L16-W42 HydrophobicContact CG-CZ2 4.39Å
17	H	52.2	Low	57.8	Low	121 Å²	121	87.1 Å²	87.1	56%	0.56	46%	0.462	S	S	*	.	H	α-helix	trans	-66.3	-33.1	-177.1	-139.8	-36.5	0	0	0	112.3	L13 L14 T20 Q21	L13-H17 PolarHBondContact O-N 3.11Å; L14-H17 PolarHBondContact O-N 3.46Å; H17-T20 PolarHBondContact O-OG1 2.96Å; H17-Q21 WeakPolarHBondContact O-CB 3.32Å; H17-Q21 PolarHBondContact O-N 3.48Å
18	T	48.3	Very low	59	Low	72 Å²	72	82.7 Å²	82.7	44%	0.442	45%	0.445	S	S	.	.	H	α-helix	trans	-76.8	-36.3	172.8	51.1	0	0	0	0	112	L14 L15 L16 Q21 T22	L14-T18 WeakPolarHBondContact O-CB 3.45Å; L14-T18 WeakPolarHBondContact O-CG2 3.43Å; L14-T18 PolarHBondContact O-N 2.96Å; L14-T18 PolarHBondContact O-OG1 3.37Å; L15-T18 WeakPolarHBondContact CA-OG1 3.42Å; L15-T18 PolarHBondContact O-OG1 2.92Å; L15-T18 VanDerWaalsContact O-OG1 3.13Å; L16-T18 VanDerWaalsContact C-N 3.27Å; L16-T18 PolarHBondContact O-N 3.41Å; T18-Q21 PolarHBondContact O-N 2.72Å; T18-T22 PolarHBondContact O-N 2.78Å; T18-T22 PolarHBondContact O-OG1 2.84Å
19	S	50.6	Low	60.5	Low	37 Å²	37	77.3 Å²	77.3	26%	0.259	42%	0.421	S	S	.	.	H	α-helix	trans	-67.2	-36	175.9	173.6	0	0	0	0	112.9	L15 L16 T22	L15-S19 WeakPolarHBondContact O-CB 3.48Å; L15-S19 PolarHBondContact O-N 3.48Å; L16-S19 PolarHBondContact O-N 3.48Å; L16-S19 VanDerWaalsContact O-N 3.17Å; S19-T22 PolarHBondContact O-OG1 2.65Å
20	T	45.3	Very low	61.9	Low	98 Å²	98	81.1 Å²	81.1	60%	0.601	44%	0.436	S	S	*	.	H	α-helix	trans	-75.8	-25.7	175.5	54	0	0	0	0	113.1	L16 H17	L16-T20 WeakPolarHBondContact O-CG2 3.45Å; L16-T20 PolarHBondContact O-N 2.95Å; L16-T20 PolarHBondContact O-OG1 3.37Å; L16-T20 VanDerWaalsContact O-OG1 3.08Å; H17-T20 PolarHBondContact O-OG1 2.96Å
21	Q	39.3	Very low	63.1	Low	148 Å²	148	81.2 Å²	81.2	69%	0.692	43%	0.43	S	S	*	.	H	α-helix	trans	-93	-24.7	177.9	-87.7	-173.1	-29.2	0	0	114.8	H17 T18 D23	H17-Q21 WeakPolarHBondContact O-CB 3.32Å; H17-Q21 PolarHBondContact O-N 3.48Å; T18-Q21 PolarHBondContact O-N 2.72Å; Q21-D23 PolarHBondContact O-N 2.93Å
22	T	41.7	Very low	64.3	Low	81 Å²	81	78.9 Å²	78.9	50%	0.497	41%	0.411	S	S	.	.			trans	-73.1	93.9	164.3	51.1	0	0	0	0	106.5	T18 S19 V24	T18-T22 PolarHBondContact O-N 2.78Å; T18-T22 PolarHBondContact O-OG1 2.84Å; S19-T22 PolarHBondContact O-OG1 2.65Å; T22-V24 PolarHBondContact O-N 3.42Å
23	D	49.6	Very low	65.7	Low	136 Å²	136	81.2 Å²	81.2	73%	0.727	42%	0.419	S	S	*	.			trans	-53.8	71.9	149.2	-81.7	-37.1	0	0	0	107	Q21 E25	Q21-D23 PolarHBondContact O-N 2.93Å; D23-E25 PolarHBondContact O-N 3.12Å
24	V	53.5	Low	67.3	Low	59 Å²	59	83.2 Å²	83.2	36%	0.358	42%	0.424	S	S	.	.			trans	-64.6	99.3	166.4	177.6	0	0	0	0	102.3	T22 L26 D31	T22-V24 PolarHBondContact O-N 3.42Å; V24-L26 VanDerWaalsContact C-N 3.29Å; V24-L26 HydrophobicContact CG1-CD2 4.25Å; V24-L26 WeakPolarHBondContact O-CG 3.33Å; V24-L26 PolarHBondContact O-N 3.28Å; V24-D31 HydrophobicContact CG1-CB 4.25Å
25	E	65.2	Low	68.9	Low	118 Å²	118	78.6 Å²	78.6	55%	0.551	40%	0.399	S	S	*	.			trans	-57.1	101.5	173.5	-67	-174.5	128.9	0	0	106.5	D23 K27	D23-E25 PolarHBondContact O-N 3.12Å; E25-K27 HydrophobicContact CB-CD 3.85Å; E25-K27 HydrophobicContact CB-CG 3.93Å; E25-K27 PolarHBondContact O-N 3.31Å; E25-K27 VanDerWaalsContact OE1-CE 3.28Å; E25-K27 WeakPolarHBondContact OE1-CE 3.38Å; E25-K27 IonicContact OE1-NZ 2.74Å; E25-K27 PolarHBondContact OE1-NZ 2.89Å; E25-K27 WeakPolarHBondContact OE2-CD 3.42Å; E25-K27 WeakPolarHBondContact OE2-CE 3.43Å; E25-K27 IonicContact OE2-NZ 2.62Å; E25-K27 PolarHBondContact OE2-NZ 3.1Å
26	L	77.4	Confident	70.9	Confident	11 Å²	11	73.9 Å²	73.9	6%	0.058	37%	0.374	C	S	.	.			trans	-73.2	52.2	-178	-72.9	177.5	0	0	0	109.9	V24 D31 V32 E35 Y105 F109 L180	V24-L26 VanDerWaalsContact C-N 3.29Å; V24-L26 HydrophobicContact CG1-CD2 4.25Å; V24-L26 WeakPolarHBondContact O-CG 3.33Å; V24-L26 PolarHBondContact O-N 3.28Å; L26-D31 HydrophobicContact CD2-CB 4.23Å; L26-V32 HydrophobicContact CB-CG2 3.98Å; L26-V32 HydrophobicContact CD2-CB 4.44Å; L26-V32 HydrophobicContact CD2-CG2 3.97Å; L26-V32 HydrophobicContact CG-CG2 4.41Å; L26-E35 HydrophobicContact CD2-CB 4.15Å; L26-Y105 HydrophobicContact CD1-CE1 4.18Å; L26-F109 HydrophobicContact CB-CE2 4.26Å; L26-F109 HydrophobicContact CB-CZ 3.62Å; L26-F109 HydrophobicContact CD1-CE2 4.43Å; L26-F109 WeakPolarHBondContact O-CZ 3.21Å; L26-L180 HydrophobicContact CD1-CD2 3.53Å
27	K	75.6	Confident	72.9	Confident	143 Å²	143	74.5 Å²	74.5	62%	0.622	38%	0.382	S	S	*	.			trans	-79.7	-26.3	-171.3	-80.3	174.6	176.9	173.2	0	112.5	E25	E25-K27 HydrophobicContact CB-CD 3.85Å; E25-K27 HydrophobicContact CB-CG 3.93Å; E25-K27 PolarHBondContact O-N 3.31Å; E25-K27 VanDerWaalsContact OE1-CE 3.28Å; E25-K27 WeakPolarHBondContact OE1-CE 3.38Å; E25-K27 IonicContact OE1-NZ 2.74Å; E25-K27 PolarHBondContact OE1-NZ 2.89Å; E25-K27 WeakPolarHBondContact OE2-CD 3.42Å; E25-K27 WeakPolarHBondContact OE2-CE 3.43Å; E25-K27 IonicContact OE2-NZ 2.62Å; E25-K27 PolarHBondContact OE2-NZ 3.1Å
28	N	86	Confident	75	Confident	59 Å²	59	72.9 Å²	72.9	32%	0.316	38%	0.377	S	S	.	.	S	Bend	trans	-127.9	158.9	-179.4	74.2	60.8	0	0	0	112.1	E30 D31 V32	N28-E30 PolarHBondContact O-N 3.06Å; N28-E30 WeakPolarHBondContact OD1-CA 3.45Å; N28-E30 WeakPolarHBondContact OD1-CB 3.39Å; N28-E30 PolarHBondContact OD1-N 2.97Å; N28-D31 PolarHBondContact ND2-OD2 3.13Å; N28-D31 PolarHBondContact O-N 3.22Å; N28-D31 PolarHBondContact OD1-N 3.28Å; N28-D31 PolarHBondContact OD1-OD2 3.07Å; N28-V32 PolarHBondContact O-N 3.07Å
29	P	90.2	Very high	77.3	Confident	6 Å²	6	69.6 Å²	69.6	4%	0.039	36%	0.357	C	S	.	.	H	α-helix	trans	-58.6	-30.3	-178.8	-26.8	35.5	0	0	0	115	V32 K33 L184 I187 N188 K191	P29-V32 PolarHBondContact O-N 2.91Å; P29-K33 WeakPolarHBondContact O-CB 3.32Å; P29-K33 VanDerWaalsContact O-CG 3.24Å; P29-K33 WeakPolarHBondContact O-CG 3.47Å; P29-K33 PolarHBondContact O-N 2.93Å; P29-L184 HydrophobicContact CB-CD1 3.75Å; P29-I187 HydrophobicContact CG-CB 4.44Å; P29-I187 HydrophobicContact CG-CG2 3.58Å; P29-N188 WeakPolarHBondContact CG-OD1 3.37Å; P29-K191 VanDerWaalsContact CD-NZ 3.33Å; P29-K191 HydrophobicContact CG-CD 4.29Å
30	E	92.8	Very high	79.4	Confident	116 Å²	116	74.3 Å²	74.3	54%	0.542	37%	0.369	S	S	.	.	H	α-helix	trans	-72.9	-36.3	-177.2	-62	-51.9	132.3	0	0	111.3	N28 K33 K34	N28-E30 PolarHBondContact O-N 3.06Å; N28-E30 WeakPolarHBondContact OD1-CA 3.45Å; N28-E30 WeakPolarHBondContact OD1-CB 3.39Å; N28-E30 PolarHBondContact OD1-N 2.97Å; E30-K33 PolarHBondContact O-N 3.37Å; E30-K33 IonicContact OE1-NZ 2.71Å; E30-K33 PolarHBondContact OE1-NZ 2.72Å; E30-K33 IonicContact OE2-NZ 3.76Å; E30-K34 WeakPolarHBondContact O-CB 3.28Å; E30-K34 PolarHBondContact O-N 2.78Å
31	D	92.3	Very high	81.8	Confident	47 Å²	47	76.4 Å²	76.4	25%	0.251	37%	0.37	S	S	.	.	H	α-helix	trans	-62.5	-44.7	173.1	-60.9	-33.9	0	0	0	110.9	V24 L26 N28 K33 K34 E35	V24-D31 HydrophobicContact CG1-CB 4.25Å; L26-D31 HydrophobicContact CD2-CB 4.23Å; N28-D31 PolarHBondContact ND2-OD2 3.13Å; N28-D31 PolarHBondContact O-N 3.22Å; N28-D31 PolarHBondContact OD1-N 3.28Å; N28-D31 PolarHBondContact OD1-OD2 3.07Å; D31-K33 PolarHBondContact O-N 2.97Å; D31-K34 WeakPolarHBondContact O-CB 3.45Å; D31-K34 PolarHBondContact O-N 3.25Å; D31-E35 PolarHBondContact O-N 2.86Å
32	V	93.7	Very high	84.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.2	-41	177.5	-173.9	0	0	0	0	111.7	L26 N28 P29 K34 E35 I36 L180 I183 L184 I187	L26-V32 HydrophobicContact CB-CG2 3.98Å; L26-V32 HydrophobicContact CD2-CB 4.44Å; L26-V32 HydrophobicContact CD2-CG2 3.97Å; L26-V32 HydrophobicContact CG-CG2 4.41Å; N28-V32 PolarHBondContact O-N 3.07Å; P29-V32 PolarHBondContact O-N 2.91Å; V32-K34 VanDerWaalsContact C-N 3.33Å; V32-K34 PolarHBondContact O-N 3.1Å; V32-E35 PolarHBondContact O-N 3.13Å; V32-I36 HydrophobicContact CG1-CD1 4.1Å; V32-I36 WeakPolarHBondContact O-CB 3.4Å; V32-I36 WeakPolarHBondContact O-CG1 3.46Å; V32-I36 PolarHBondContact O-N 2.93Å; V32-L180 HydrophobicContact CG1-CB 4.27Å; V32-L180 HydrophobicContact CG1-CD2 4.31Å; V32-L180 WeakPolarHBondContact CG1-O 3.5Å; V32-I183 HydrophobicContact CG1-CG2 4.47Å; V32-I183 HydrophobicContact CG2-CG2 4.07Å; V32-L184 HydrophobicContact CB-CB 4.43Å; V32-L184 HydrophobicContact CB-CD1 4.33Å; V32-L184 HydrophobicContact CG1-CB 3.76Å; V32-I187 HydrophobicContact CG2-CD1 3.92Å
33	K	95.5	Very high	87	Confident	90 Å²	90	67.3 Å²	67.3	39%	0.391	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-41.4	174.9	-75.2	169.8	-173.9	173.6	0	111.9	P29 E30 D31 I36 S37 L184	P29-K33 WeakPolarHBondContact O-CB 3.32Å; P29-K33 VanDerWaalsContact O-CG 3.24Å; P29-K33 WeakPolarHBondContact O-CG 3.47Å; P29-K33 PolarHBondContact O-N 2.93Å; E30-K33 PolarHBondContact O-N 3.37Å; E30-K33 IonicContact OE1-NZ 2.71Å; E30-K33 PolarHBondContact OE1-NZ 2.72Å; E30-K33 IonicContact OE2-NZ 3.76Å; D31-K33 PolarHBondContact O-N 2.97Å; K33-I36 PolarHBondContact O-N 2.94Å; K33-S37 PolarHBondContact O-N 3.12Å; K33-L184 HydrophobicContact CG-CD1 4.1Å; K33-L184 HydrophobicContact CG-CD2 3.82Å
34	K	94.9	Very high	89.1	Confident	145 Å²	145	65.5 Å²	65.5	63%	0.63	31%	0.311	S	S	*	.	H	α-helix	trans	-62	-47	177.2	-175.4	-177.7	176.5	-172	0	110.5	E30 D31 V32 S37 L38	E30-K34 WeakPolarHBondContact O-CB 3.28Å; E30-K34 PolarHBondContact O-N 2.78Å; D31-K34 WeakPolarHBondContact O-CB 3.45Å; D31-K34 PolarHBondContact O-N 3.25Å; V32-K34 VanDerWaalsContact C-N 3.33Å; V32-K34 PolarHBondContact O-N 3.1Å; K34-S37 WeakPolarHBondContact O-CB 3.45Å; K34-S37 PolarHBondContact O-N 2.84Å; K34-S37 VanDerWaalsContact O-N 3.13Å; K34-L38 WeakPolarHBondContact O-CG 3.38Å; K34-L38 PolarHBondContact O-N 3.23Å
35	E	94.9	Very high	91	Very high	17 Å²	17	64.4 Å²	64.4	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-45	177.9	-171.9	62.5	-165.5	0	0	111.8	L26 D31 V32 S37 L38 V39 K176 L180	L26-E35 HydrophobicContact CD2-CB 4.15Å; D31-E35 PolarHBondContact O-N 2.86Å; V32-E35 PolarHBondContact O-N 3.13Å; E35-S37 VanDerWaalsContact C-N 3.25Å; E35-S37 PolarHBondContact O-N 3.37Å; E35-L38 PolarHBondContact O-N 3.34Å; E35-V39 WeakPolarHBondContact O-CG2 3.11Å; E35-V39 PolarHBondContact O-N 3.34Å; E35-K176 WeakPolarHBondContact OE1-CE 3.37Å; E35-K176 IonicContact OE1-NZ 2.76Å; E35-K176 PolarHBondContact OE1-NZ 2.8Å; E35-L180 HydrophobicContact CB-CD1 4.24Å; E35-L180 HydrophobicContact CB-CD2 4.49Å; E35-L180 HydrophobicContact CG-CD1 3.59Å; E35-L180 HydrophobicContact CG-CD2 4.07Å
36	I	96.3	Very high	92.4	Very high	9 Å²	9	59.2 Å²	59.2	5%	0.046	28%	0.284	C	S	.	.	H	α-helix	trans	-55.3	-42.6	173	-75.3	170.2	0	0	0	111.4	V32 K33 L38 R40 L180 L184	V32-I36 HydrophobicContact CG1-CD1 4.1Å; V32-I36 WeakPolarHBondContact O-CB 3.4Å; V32-I36 WeakPolarHBondContact O-CG1 3.46Å; V32-I36 PolarHBondContact O-N 2.93Å; K33-I36 PolarHBondContact O-N 2.94Å; I36-L38 VanDerWaalsContact C-N 3.35Å; I36-R40 WeakPolarHBondContact O-CG 3.41Å; I36-R40 PolarHBondContact O-N 3.17Å; I36-R40 VanDerWaalsContact O-N 3.07Å; I36-L180 HydrophobicContact CD1-CB 4Å; I36-L180 HydrophobicContact CG1-CB 3.55Å; I36-L180 HydrophobicContact CG1-CD1 4.14Å; I36-L180 HydrophobicContact CG1-CG 4.47Å; I36-L184 HydrophobicContact CD1-CB 4.45Å; I36-L184 HydrophobicContact CD1-CD2 4.02Å
37	S	96.5	Very high	93.2	Very high	51 Å²	51	63.3 Å²	63.3	36%	0.357	30%	0.302	S	S	.	.	H	α-helix	trans	-66.6	-36.3	177.8	-177.2	0	0	0	0	112.5	K33 K34 E35 K41	K33-S37 PolarHBondContact O-N 3.12Å; K34-S37 WeakPolarHBondContact O-CB 3.45Å; K34-S37 PolarHBondContact O-N 2.84Å; K34-S37 VanDerWaalsContact O-N 3.13Å; E35-S37 VanDerWaalsContact C-N 3.25Å; E35-S37 PolarHBondContact O-N 3.37Å; S37-K41 WeakPolarHBondContact O-CG 3.48Å; S37-K41 PolarHBondContact O-N 3.36Å
38	L	95.5	Very high	94.1	Very high	87 Å²	87	62.9 Å²	62.9	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-67.7	-48.3	177.2	-70.9	173	0	0	0	110.7	K34 E35 I36 R40 K41 W42	K34-L38 WeakPolarHBondContact O-CG 3.38Å; K34-L38 PolarHBondContact O-N 3.23Å; E35-L38 PolarHBondContact O-N 3.34Å; I36-L38 VanDerWaalsContact C-N 3.35Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 3.17Å; L38-K41 PolarHBondContact O-N 3.13Å; L38-W42 WeakPolarHBondContact O-CB 3.27Å; L38-W42 PolarHBondContact O-N 3.31Å
39	V	96	Very high	94.5	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-56.2	-44.8	177	171.6	0	0	0	0	111.3	E35 W42 I43 N173 K176 H177 L180	E35-V39 WeakPolarHBondContact O-CG2 3.11Å; E35-V39 PolarHBondContact O-N 3.34Å; V39-W42 PolarHBondContact O-N 2.87Å; V39-I43 HydrophobicContact CG1-CD1 3.9Å; V39-I43 HydrophobicContact CG1-CG1 4.49Å; V39-I43 VanDerWaalsContact O-CG1 3.32Å; V39-I43 WeakPolarHBondContact O-CG1 3.37Å; V39-I43 PolarHBondContact O-N 3.01Å; V39-N173 HydrophobicContact CG1-CB 4.01Å; V39-N173 VanDerWaalsContact CG1-O 3.27Å; V39-N173 WeakPolarHBondContact CG1-O 3.39Å; V39-K176 HydrophobicContact CG2-CD 3.87Å; V39-K176 HydrophobicContact CG2-CG 4.35Å; V39-H177 HydrophobicContact CG1-CB 3.98Å; V39-L180 HydrophobicContact CG2-CD1 4.08Å
40	R	95.9	Very high	94.8	Very high	135 Å²	135	65 Å²	65	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-50.4	176.8	-76	176.6	-179	156.5	-0.4	113	I36 L38 W42 I43 D44 H177	I36-R40 WeakPolarHBondContact O-CG 3.41Å; I36-R40 PolarHBondContact O-N 3.17Å; I36-R40 VanDerWaalsContact O-N 3.07Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 3.17Å; R40-W42 PolarHBondContact O-N 3.17Å; R40-I43 PolarHBondContact O-N 3.15Å; R40-I43 VanDerWaalsContact O-N 3.15Å; R40-D44 PolarHBondContact O-N 3.39Å; R40-H177 PolarHBondContact NE-NE2 2.79Å; R40-H177 VanDerWaalsContact NE-NE2 3.17Å; R40-H177 PolarHBondContact NH2-NE2 3.03Å; R40-H177 VanDerWaalsContact NH2-NE2 3.17Å
41	K	95.5	Very high	95	Very high	143 Å²	143	61.7 Å²	61.7	62%	0.622	30%	0.302	S	S	*	.	H	α-helix	trans	-59.1	-38.3	178.8	-74.6	177.9	179.8	-178.7	0	111.5	S37 L38 A45	S37-K41 WeakPolarHBondContact O-CG 3.48Å; S37-K41 PolarHBondContact O-N 3.36Å; L38-K41 PolarHBondContact O-N 3.13Å; K41-A45 PolarHBondContact O-N 3.15Å
42	W	93.3	Very high	95.1	Very high	28 Å²	28	62.8 Å²	62.8	11%	0.106	31%	0.31	C	S	.	.	H	α-helix	trans	-66.8	-45.1	177.3	-176.7	100.2	0	0	0	111.2	L16 L38 V39 R40 D44 A45 V46 E169 N173	L16-W42 HydrophobicContact CD1-CZ2 3.91Å; L16-W42 HydrophobicContact CD2-CZ2 4.02Å; L16-W42 HydrophobicContact CG-CZ2 4.39Å; L38-W42 WeakPolarHBondContact O-CB 3.27Å; L38-W42 PolarHBondContact O-N 3.31Å; V39-W42 PolarHBondContact O-N 2.87Å; R40-W42 PolarHBondContact O-N 3.17Å; W42-D44 VanDerWaalsContact C-N 3.26Å; W42-D44 PolarHBondContact O-N 3.06Å; W42-A45 PolarHBondContact O-N 3.3Å; W42-A45 VanDerWaalsContact O-N 3.13Å; W42-V46 HydrophobicContact CD2-CG2 3.63Å; W42-V46 VanDerWaalsContact CE2-CG2 3.45Å; W42-V46 HydrophobicContact CE3-CB 4.28Å; W42-V46 HydrophobicContact CE3-CG2 3.86Å; W42-V46 HydrophobicContact CG-CG2 4.32Å; W42-V46 HydrophobicContact CH2-CB 4.41Å; W42-V46 HydrophobicContact CH2-CG1 4.25Å; W42-V46 HydrophobicContact CH2-CG2 3.94Å; W42-V46 HydrophobicContact CZ2-CG2 3.64Å; W42-V46 HydrophobicContact CZ3-CB 4.17Å; W42-V46 HydrophobicContact CZ3-CG1 4.31Å; W42-V46 HydrophobicContact CZ3-CG2 3.97Å; W42-V46 WeakPolarHBondContact O-CB 3.23Å; W42-V46 WeakPolarHBondContact O-CG2 3.47Å; W42-V46 PolarHBondContact O-N 3.31Å; W42-E169 HydrophobicContact CH2-CB 3.38Å; W42-E169 HydrophobicContact CH2-CG 4.16Å; W42-E169 WeakPolarHBondContact CH2-O 3.42Å; W42-E169 WeakPolarHBondContact CH2-OE2 3.32Å; W42-E169 HydrophobicContact CZ2-CB 3.93Å; W42-E169 HydrophobicContact CZ2-CG 4.29Å; W42-E169 WeakPolarHBondContact CZ2-OE2 3.49Å; W42-E169 HydrophobicContact CZ3-CB 4.39Å; W42-E169 WeakPolarHBondContact CZ3-O 3.37Å; W42-N173 HydrophobicContact CE3-CB 3.88Å; W42-N173 HydrophobicContact CH2-CB 4.37Å; W42-N173 WeakPolarHBondContact CH2-ND2 3.31Å; W42-N173 HydrophobicContact CZ3-CB 3.57Å; W42-N173 WeakPolarHBondContact CZ3-ND2 3.25Å
43	I	95.5	Very high	95.2	Very high	10 Å²	10	64.6 Å²	64.6	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-57.3	-44.1	177.3	-71.8	165.1	0	0	0	110.1	V39 R40 V46 K47 I170 N173 L174	V39-I43 HydrophobicContact CG1-CD1 3.9Å; V39-I43 HydrophobicContact CG1-CG1 4.49Å; V39-I43 VanDerWaalsContact O-CG1 3.32Å; V39-I43 WeakPolarHBondContact O-CG1 3.37Å; V39-I43 PolarHBondContact O-N 3.01Å; R40-I43 PolarHBondContact O-N 3.15Å; R40-I43 VanDerWaalsContact O-N 3.15Å; I43-V46 PolarHBondContact O-N 2.91Å; I43-K47 HydrophobicContact CG2-CD 4.08Å; I43-K47 HydrophobicContact CG2-CG 4.46Å; I43-K47 WeakPolarHBondContact O-CB 3.45Å; I43-K47 VanDerWaalsContact O-CG 3.28Å; I43-K47 WeakPolarHBondContact O-CG 3.33Å; I43-K47 PolarHBondContact O-N 3.1Å; I43-I170 HydrophobicContact CG2-CG2 4.49Å; I43-N173 HydrophobicContact CD1-CB 4.02Å; I43-N173 HydrophobicContact CG1-CB 3.75Å; I43-L174 HydrophobicContact CD1-CD2 4.06Å; I43-L174 HydrophobicContact CD1-CG 4.36Å
44	D	95	Very high	95.3	Very high	97 Å²	97	63.2 Å²	63.2	52%	0.519	32%	0.316	S	S	.	.	H	α-helix	trans	-63.4	-44.4	178.6	-65.5	-25.1	0	0	0	111.5	R40 W42 V46 K47 E48	R40-D44 PolarHBondContact O-N 3.39Å; W42-D44 VanDerWaalsContact C-N 3.26Å; W42-D44 PolarHBondContact O-N 3.06Å; D44-V46 PolarHBondContact O-N 3.24Å; D44-K47 PolarHBondContact O-N 3.04Å; D44-E48 PolarHBondContact O-N 3.37Å
45	A	93.4	Very high	95.5	Very high	37 Å²	37	60.1 Å²	60.1	31%	0.306	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-41.9	177.3	0	0	0	0	0	112.6	L12 K41 W42 E48 M49	L12-A45 HydrophobicContact CD2-CB 4.45Å; K41-A45 PolarHBondContact O-N 3.15Å; W42-A45 PolarHBondContact O-N 3.3Å; W42-A45 VanDerWaalsContact O-N 3.13Å; A45-E48 PolarHBondContact O-N 2.89Å; A45-M49 PolarHBondContact O-N 3.35Å
46	V	93.4	Very high	95.6	Very high	8 Å²	8	61.9 Å²	61.9	5%	0.048	32%	0.322	C	S	.	.	H	α-helix	trans	-73.8	-30	-177.8	176.4	0	0	0	0	111.6	W42 I43 D44 E48 M49 F50 I166 E169 I170	W42-V46 HydrophobicContact CD2-CG2 3.63Å; W42-V46 VanDerWaalsContact CE2-CG2 3.45Å; W42-V46 HydrophobicContact CE3-CB 4.28Å; W42-V46 HydrophobicContact CE3-CG2 3.86Å; W42-V46 HydrophobicContact CG-CG2 4.32Å; W42-V46 HydrophobicContact CH2-CB 4.41Å; W42-V46 HydrophobicContact CH2-CG1 4.25Å; W42-V46 HydrophobicContact CH2-CG2 3.94Å; W42-V46 HydrophobicContact CZ2-CG2 3.64Å; W42-V46 HydrophobicContact CZ3-CB 4.17Å; W42-V46 HydrophobicContact CZ3-CG1 4.31Å; W42-V46 HydrophobicContact CZ3-CG2 3.97Å; W42-V46 WeakPolarHBondContact O-CB 3.23Å; W42-V46 WeakPolarHBondContact O-CG2 3.47Å; W42-V46 PolarHBondContact O-N 3.31Å; I43-V46 PolarHBondContact O-N 2.91Å; D44-V46 PolarHBondContact O-N 3.24Å; V46-E48 VanDerWaalsContact C-N 3.33Å; V46-E48 PolarHBondContact O-N 3.34Å; V46-M49 WeakPolarHBondContact O-CB 3.41Å; V46-M49 PolarHBondContact O-N 2.93Å; V46-F50 PolarHBondContact O-N 2.93Å; V46-I166 HydrophobicContact CG1-CB 4.42Å; V46-I166 HydrophobicContact CG1-CG2 3.45Å; V46-I166 VanDerWaalsContact CG1-CG2 3.45Å; V46-I166 WeakPolarHBondContact O-CG2 3.4Å; V46-E169 HydrophobicContact CG1-CB 4.43Å; V46-I170 HydrophobicContact CB-CG1 4.2Å; V46-I170 HydrophobicContact CG1-CD1 4.05Å; V46-I170 HydrophobicContact CG1-CG1 3.6Å
47	K	95.4	Very high	95.6	Very high	98 Å²	98	62.1 Å²	62.1	43%	0.426	32%	0.324	S	S	.	.	H	α-helix	trans	-60.7	-39.7	170.5	-80.8	173.8	177.3	174.8	0	112.9	I43 D44 M49 F50 A51 I170	I43-K47 HydrophobicContact CG2-CD 4.08Å; I43-K47 HydrophobicContact CG2-CG 4.46Å; I43-K47 WeakPolarHBondContact O-CB 3.45Å; I43-K47 VanDerWaalsContact O-CG 3.28Å; I43-K47 WeakPolarHBondContact O-CG 3.33Å; I43-K47 PolarHBondContact O-N 3.1Å; D44-K47 PolarHBondContact O-N 3.04Å; K47-M49 VanDerWaalsContact C-N 3.32Å; K47-F50 WeakPolarHBondContact O-CB 3.49Å; K47-F50 PolarHBondContact O-N 3.07Å; K47-A51 PolarHBondContact O-N 3.44Å; K47-I170 HydrophobicContact CG-CD1 3.96Å
48	E	94.1	Very high	95.7	Very high	133 Å²	133	64.4 Å²	64.4	62%	0.621	33%	0.329	S	S	*	.	H	α-helix	trans	-64.9	-38.7	175.4	-66.2	-58.8	143.8	0	0	111.5	D44 A45 V46 A51 T52	D44-E48 PolarHBondContact O-N 3.37Å; A45-E48 PolarHBondContact O-N 2.89Å; V46-E48 VanDerWaalsContact C-N 3.33Å; V46-E48 PolarHBondContact O-N 3.34Å; E48-A51 PolarHBondContact O-N 3.35Å; E48-T52 WeakPolarHBondContact O-CB 3.41Å; E48-T52 PolarHBondContact O-N 3.42Å; E48-T52 PolarHBondContact O-OG1 3.09Å
49	M	94.6	Very high	95.8	Very high	46 Å²	46	63.8 Å²	63.8	23%	0.227	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-41.1	173.4	-63.9	176.3	56.8	0	0	111.6	V9 L12 A45 V46 K47 T52 R53 I166	V9-M49 HydrophobicContact CB-CE 4.43Å; V9-M49 HydrophobicContact CG1-CE 4.25Å; V9-M49 HydrophobicContact CG2-CE 3.55Å; L12-M49 HydrophobicContact CD1-SD 4.09Å; A45-M49 PolarHBondContact O-N 3.35Å; V46-M49 WeakPolarHBondContact O-CB 3.41Å; V46-M49 PolarHBondContact O-N 2.93Å; K47-M49 VanDerWaalsContact C-N 3.32Å; M49-T52 WeakPolarHBondContact O-CB 3.35Å; M49-T52 PolarHBondContact O-N 3.07Å; M49-R53 WeakPolarHBondContact O-CG 3.5Å; M49-R53 PolarHBondContact O-N 3.37Å; M49-I166 HydrophobicContact CB-CD1 4.08Å; M49-I166 HydrophobicContact CB-CG2 4.49Å; M49-I166 HydrophobicContact CE-CD1 4.31Å
50	F	95.7	Very high	95.8	Very high	64 Å²	64	65.2 Å²	65.2	28%	0.281	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-48.3	175.3	-173.9	-88.3	0	0	0	111.5	V46 K47 T52 R53 V54 K163 I166 I170	V46-F50 PolarHBondContact O-N 2.93Å; K47-F50 WeakPolarHBondContact O-CB 3.49Å; K47-F50 PolarHBondContact O-N 3.07Å; F50-T52 VanDerWaalsContact C-N 3.32Å; F50-T52 PolarHBondContact O-N 3.02Å; F50-R53 PolarHBondContact O-N 3.44Å; F50-V54 HydrophobicContact CD1-CG2 4.1Å; F50-V54 HydrophobicContact CE1-CG2 3.8Å; F50-V54 HydrophobicContact CZ-CG2 4.43Å; F50-V54 WeakPolarHBondContact O-CG2 3.4Å; F50-V54 PolarHBondContact O-N 3.27Å; F50-K163 HydrophobicContact CD2-CG 4.05Å; F50-K163 VanDerWaalsContact CD2-O 3.3Å; F50-K163 WeakPolarHBondContact CD2-O 3.33Å; F50-K163 HydrophobicContact CE2-CD 4.47Å; F50-K163 HydrophobicContact CE2-CG 3.55Å; F50-K163 VanDerWaalsContact CE2-O 3.28Å; F50-K163 WeakPolarHBondContact CE2-O 3.26Å; F50-K163 HydrophobicContact CZ-CD 4.36Å; F50-K163 HydrophobicContact CZ-CG 3.9Å; F50-I166 HydrophobicContact CB-CG2 3.65Å; F50-I166 HydrophobicContact CD2-CB 4.49Å; F50-I166 HydrophobicContact CD2-CG2 4.05Å; F50-I166 HydrophobicContact CG-CG2 4.37Å; F50-I170 HydrophobicContact CB-CD1 4.23Å
51	A	96.7	Very high	95.9	Very high	47 Å²	47	61.3 Å²	61.3	39%	0.388	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-42.6	177.9	0	0	0	0	0	111.6	K47 E48 R53 V54 S55	K47-A51 PolarHBondContact O-N 3.44Å; E48-A51 PolarHBondContact O-N 3.35Å; A51-R53 VanDerWaalsContact C-N 3.35Å; A51-R53 PolarHBondContact O-N 2.81Å; A51-V54 WeakPolarHBondContact O-CB 3.42Å; A51-V54 PolarHBondContact O-N 2.94Å; A51-S55 PolarHBondContact O-N 2.97Å; A51-S55 PolarHBondContact O-OG 2.97Å
52	T	96	Very high	95.9	Very high	69 Å²	69	57.3 Å²	57.3	42%	0.423	31%	0.309	S	S	.	.	H	α-helix	trans	-57.4	-47.2	174.9	-58.1	0	0	0	0	111.1	E48 M49 F50 V54 S55 D56	E48-T52 WeakPolarHBondContact O-CB 3.41Å; E48-T52 PolarHBondContact O-N 3.42Å; E48-T52 PolarHBondContact O-OG1 3.09Å; M49-T52 WeakPolarHBondContact O-CB 3.35Å; M49-T52 PolarHBondContact O-N 3.07Å; F50-T52 VanDerWaalsContact C-N 3.32Å; F50-T52 PolarHBondContact O-N 3.02Å; T52-V54 VanDerWaalsContact C-N 3.33Å; T52-V54 PolarHBondContact O-N 3.49Å; T52-S55 WeakPolarHBondContact O-CB 3.2Å; T52-S55 PolarHBondContact O-N 3.21Å; T52-S55 VanDerWaalsContact O-N 3.13Å; T52-D56 VanDerWaalsContact O-CG 3.31Å; T52-D56 PolarHBondContact O-N 3.13Å
53	R	96	Very high	96	Very high	39 Å²	39	58.5 Å²	58.5	15%	0.147	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-37.7	177.6	-71.5	-66.7	176.6	-111.2	4.9	113.4	M49 F50 A51 S55 D56 I57 N159 E162 K163 I166	M49-R53 WeakPolarHBondContact O-CG 3.5Å; M49-R53 PolarHBondContact O-N 3.37Å; F50-R53 PolarHBondContact O-N 3.44Å; A51-R53 VanDerWaalsContact C-N 3.35Å; A51-R53 PolarHBondContact O-N 2.81Å; R53-S55 VanDerWaalsContact C-N 3.33Å; R53-S55 PolarHBondContact O-N 3.15Å; R53-D56 IonicContact NH1-OD2 3.76Å; R53-D56 PolarHBondContact NH1-OD2 3.24Å; R53-D56 PolarHBondContact O-N 3.06Å; R53-I57 WeakPolarHBondContact O-CD1 3.47Å; R53-I57 WeakPolarHBondContact O-CG1 3.35Å; R53-I57 PolarHBondContact O-N 3.05Å; R53-N159 WeakPolarHBondContact CD-OD1 3.39Å; R53-N159 PolarHBondContact NE-OD1 2.88Å; R53-E162 IonicContact CZ-OE2 2.75Å; R53-E162 IonicContact NE-OE2 2.81Å; R53-E162 PolarHBondContact NE-OE2 2.89Å; R53-E162 IonicContact NH2-OE2 3.36Å; R53-E162 PolarHBondContact NH2-OE2 3.4Å; R53-K163 HydrophobicContact CB-CB 4.04Å; R53-I166 HydrophobicContact CG-CD1 3.88Å
54	V	97.3	Very high	95.9	Very high	60 Å²	60	58 Å²	58	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-44.5	173.5	172	0	0	0	0	110.9	F50 A51 T52 Q58 K163	F50-V54 HydrophobicContact CD1-CG2 4.1Å; F50-V54 HydrophobicContact CE1-CG2 3.8Å; F50-V54 HydrophobicContact CZ-CG2 4.43Å; F50-V54 WeakPolarHBondContact O-CG2 3.4Å; F50-V54 PolarHBondContact O-N 3.27Å; A51-V54 WeakPolarHBondContact O-CB 3.42Å; A51-V54 PolarHBondContact O-N 2.94Å; T52-V54 VanDerWaalsContact C-N 3.33Å; T52-V54 PolarHBondContact O-N 3.49Å; V54-Q58 PolarHBondContact O-N 3.36Å; V54-K163 HydrophobicContact CG2-CD 3.95Å; V54-K163 HydrophobicContact CG2-CG 4.46Å
55	S	97.8	Very high	95.9	Very high	81 Å²	81	55.6 Å²	55.6	57%	0.566	31%	0.306	S	S	*	.	H	α-helix	trans	-65.7	-41.3	176	-62.1	0	0	0	0	112.9	A51 T52 R53 Q58 S59	A51-S55 PolarHBondContact O-N 2.97Å; A51-S55 PolarHBondContact O-OG 2.97Å; T52-S55 WeakPolarHBondContact O-CB 3.2Å; T52-S55 PolarHBondContact O-N 3.21Å; T52-S55 VanDerWaalsContact O-N 3.13Å; R53-S55 VanDerWaalsContact C-N 3.33Å; R53-S55 PolarHBondContact O-N 3.15Å; S55-Q58 PolarHBondContact O-N 3.03Å; S55-S59 PolarHBondContact O-N 3.43Å
56	D	97.2	Very high	95.9	Very high	53 Å²	53	63.1 Å²	63.1	28%	0.283	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-47.9	177.9	-70.6	-23.2	0	0	0	110.9	T52 R53 Q58 S59 M60	T52-D56 VanDerWaalsContact O-CG 3.31Å; T52-D56 PolarHBondContact O-N 3.13Å; R53-D56 IonicContact NH1-OD2 3.76Å; R53-D56 PolarHBondContact NH1-OD2 3.24Å; R53-D56 PolarHBondContact O-N 3.06Å; D56-Q58 VanDerWaalsContact C-N 3.31Å; D56-Q58 PolarHBondContact O-N 2.88Å; D56-S59 PolarHBondContact O-N 2.91Å; D56-M60 VanDerWaalsContact C-CE 3.45Å; D56-M60 HydrophobicContact CB-CE 3.77Å; D56-M60 VanDerWaalsContact O-CE 3.29Å; D56-M60 WeakPolarHBondContact O-CE 3.47Å; D56-M60 PolarHBondContact O-N 2.82Å
57	I	97.9	Very high	95.8	Very high	14 Å²	14	66 Å²	66	7%	0.072	35%	0.346	C	S	.	.	H	α-helix	trans	-57.1	-45.2	177.7	-67.3	160.5	0	0	0	110.7	R53 M60 R61 I79 M156 N159 I160 K163	R53-I57 WeakPolarHBondContact O-CD1 3.47Å; R53-I57 WeakPolarHBondContact O-CG1 3.35Å; R53-I57 PolarHBondContact O-N 3.05Å; I57-M60 PolarHBondContact O-N 3.08Å; I57-R61 WeakPolarHBondContact O-CB 3.05Å; I57-R61 PolarHBondContact O-N 3.36Å; I57-I79 HydrophobicContact CG2-CG2 4.23Å; I57-M156 HydrophobicContact CG2-CG 4.42Å; I57-N159 HydrophobicContact CG1-CB 3.86Å; I57-I160 HydrophobicContact CD1-CB 4.45Å; I57-I160 HydrophobicContact CD1-CG1 3.9Å; I57-I160 HydrophobicContact CG1-CG1 4.08Å; I57-I160 HydrophobicContact CG2-CG1 4.23Å; I57-K163 HydrophobicContact CD1-CB 4.14Å; I57-K163 HydrophobicContact CD1-CD 3.74Å
58	Q	97.9	Very high	95.5	Very high	99 Å²	99	64.1 Å²	64.1	46%	0.463	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-44.8	178.1	-176.5	59.3	49.6	0	0	111.7	V54 S55 D56 M60 R61 D62	V54-Q58 PolarHBondContact O-N 3.36Å; S55-Q58 PolarHBondContact O-N 3.03Å; D56-Q58 VanDerWaalsContact C-N 3.31Å; D56-Q58 PolarHBondContact O-N 2.88Å; Q58-M60 VanDerWaalsContact C-N 3.34Å; Q58-M60 PolarHBondContact O-N 3.45Å; Q58-R61 WeakPolarHBondContact O-CB 3.5Å; Q58-R61 PolarHBondContact O-N 2.83Å; Q58-D62 PolarHBondContact NE2-OD1 2.84Å; Q58-D62 PolarHBondContact NE2-OD2 3.46Å; Q58-D62 VanDerWaalsContact NE2-OD2 3.11Å; Q58-D62 PolarHBondContact O-N 3.41Å
59	S	97.7	Very high	95	Very high	74 Å²	74	61.8 Å²	61.8	52%	0.517	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-39.9	177.6	-176.7	0	0	0	0	112.4	S55 D56 D62 T63	S55-S59 PolarHBondContact O-N 3.43Å; D56-S59 PolarHBondContact O-N 2.91Å; S59-D62 PolarHBondContact O-N 2.75Å; S59-T63 WeakPolarHBondContact O-CB 3.31Å; S59-T63 PolarHBondContact O-N 3.43Å; S59-T63 PolarHBondContact O-OG1 2.89Å
60	M	96.2	Very high	94.5	Very high	34 Å²	34	67.1 Å²	67.1	17%	0.167	37%	0.365	C	S	.	.	H	α-helix	trans	-65.9	-45.8	175.5	-81.5	179.3	-86.6	0	0	111.6	D56 I57 Q58 D62 T63 I64 L155 M156 N159	D56-M60 VanDerWaalsContact C-CE 3.45Å; D56-M60 HydrophobicContact CB-CE 3.77Å; D56-M60 VanDerWaalsContact O-CE 3.29Å; D56-M60 WeakPolarHBondContact O-CE 3.47Å; D56-M60 PolarHBondContact O-N 2.82Å; I57-M60 PolarHBondContact O-N 3.08Å; Q58-M60 VanDerWaalsContact C-N 3.34Å; Q58-M60 PolarHBondContact O-N 3.45Å; M60-D62 VanDerWaalsContact C-N 3.31Å; M60-D62 PolarHBondContact O-N 2.96Å; M60-T63 WeakPolarHBondContact O-CB 3.43Å; M60-T63 PolarHBondContact O-N 3.02Å; M60-T63 VanDerWaalsContact O-N 3.14Å; M60-I64 VanDerWaalsContact O-CG1 3.3Å; M60-I64 WeakPolarHBondContact O-CG1 3.25Å; M60-I64 PolarHBondContact O-N 3.47Å; M60-L155 HydrophobicContact SD-CB 4.08Å; M60-M156 HydrophobicContact CB-CB 4.28Å; M60-M156 HydrophobicContact CB-CG 4.28Å; M60-M156 HydrophobicContact SD-CB 4.18Å; M60-N159 HydrophobicContact CE-CB 3.61Å; M60-N159 WeakPolarHBondContact CE-ND2 3.22Å
61	R	96.3	Very high	93.8	Very high	54 Å²	54	65.2 Å²	65.2	20%	0.204	36%	0.363	C	S	.	.	H	α-helix	trans	-52.9	-49.5	173.9	179.8	-87.6	-176.9	-153	-5	111.2	I57 Q58 T63 I64 V65 I75 D76 I79 M156	I57-R61 WeakPolarHBondContact O-CB 3.05Å; I57-R61 PolarHBondContact O-N 3.36Å; Q58-R61 WeakPolarHBondContact O-CB 3.5Å; Q58-R61 PolarHBondContact O-N 2.83Å; R61-T63 VanDerWaalsContact C-N 3.3Å; R61-T63 PolarHBondContact O-N 2.94Å; R61-I64 PolarHBondContact O-N 3.43Å; R61-V65 WeakPolarHBondContact O-CG2 3.45Å; R61-V65 PolarHBondContact O-N 2.7Å; R61-I75 HydrophobicContact CG-CG1 4.43Å; R61-I75 HydrophobicContact CG-CG2 4.25Å; R61-D76 IonicContact CZ-OD1 2.74Å; R61-D76 IonicContact CZ-OD2 3.89Å; R61-D76 IonicContact NE-OD1 3.85Å; R61-D76 PolarHBondContact NE-OD1 3.36Å; R61-D76 IonicContact NE-OD2 3.13Å; R61-D76 VanDerWaalsContact NH2-CG 3.35Å; R61-D76 IonicContact NH2-OD1 2.72Å; R61-D76 PolarHBondContact NH2-OD1 2.88Å; R61-D76 VanDerWaalsContact NH2-OD1 3.13Å; R61-D76 IonicContact NH2-OD2 3.88Å; R61-D76 PolarHBondContact NH2-OD2 2.92Å; R61-I79 HydrophobicContact CB-CD1 3.71Å; R61-I79 HydrophobicContact CG-CD1 3.5Å; R61-M156 HydrophobicContact CB-SD 4.4Å
62	D	96	Very high	93.5	Very high	58 Å²	58	63.1 Å²	63.1	31%	0.31	35%	0.346	S	S	.	.	H	α-helix	trans	-67.7	-31.3	-178.6	-68.2	-27.2	0	0	0	112.9	Q58 S59 M60 R66	Q58-D62 PolarHBondContact NE2-OD1 2.84Å; Q58-D62 PolarHBondContact NE2-OD2 3.46Å; Q58-D62 VanDerWaalsContact NE2-OD2 3.11Å; Q58-D62 PolarHBondContact O-N 3.41Å; S59-D62 PolarHBondContact O-N 2.75Å; M60-D62 VanDerWaalsContact C-N 3.31Å; M60-D62 PolarHBondContact O-N 2.96Å; D62-R66 WeakPolarHBondContact O-CB 3.11Å; D62-R66 PolarHBondContact O-N 3.29Å
63	T	95	Very high	93.2	Very high	54 Å²	54	68.1 Å²	68.1	33%	0.331	36%	0.362	S	S	.	.	H	α-helix	trans	-67.4	-47	173.1	-59.7	0	0	0	0	111.1	S59 M60 R61 V65 R66 S67	S59-T63 WeakPolarHBondContact O-CB 3.31Å; S59-T63 PolarHBondContact O-N 3.43Å; S59-T63 PolarHBondContact O-OG1 2.89Å; M60-T63 WeakPolarHBondContact O-CB 3.43Å; M60-T63 PolarHBondContact O-N 3.02Å; M60-T63 VanDerWaalsContact O-N 3.14Å; R61-T63 VanDerWaalsContact C-N 3.3Å; R61-T63 PolarHBondContact O-N 2.94Å; T63-V65 PolarHBondContact O-N 3.4Å; T63-R66 PolarHBondContact O-N 3.46Å; T63-S67 PolarHBondContact O-N 3.36Å; T63-S67 PolarHBondContact O-OG 3.13Å; T63-S67 VanDerWaalsContact O-OG 3.14Å
64	I	94.5	Very high	93.1	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-60.8	-47.1	178.9	-69.8	164.9	0	0	0	111	M60 R61 R66 S67 H68 M72 I75 D152 V153 M156	M60-I64 VanDerWaalsContact O-CG1 3.3Å; M60-I64 WeakPolarHBondContact O-CG1 3.25Å; M60-I64 PolarHBondContact O-N 3.47Å; R61-I64 PolarHBondContact O-N 3.43Å; I64-R66 VanDerWaalsContact C-N 3.29Å; I64-R66 PolarHBondContact O-N 3.3Å; I64-S67 PolarHBondContact O-N 3.42Å; I64-H68 PolarHBondContact O-N 2.95Å; I64-M72 HydrophobicContact CG2-CB 3.79Å; I64-M72 HydrophobicContact CG2-CG 3.53Å; I64-M72 HydrophobicContact CG2-SD 4.18Å; I64-I75 HydrophobicContact CD1-CD1 4.47Å; I64-I75 HydrophobicContact CG2-CD1 4.17Å; I64-I75 HydrophobicContact CG2-CG1 4.28Å; I64-D152 HydrophobicContact CD1-CB 4.07Å; I64-D152 HydrophobicContact CG1-CB 3.66Å; I64-V153 HydrophobicContact CD1-CG2 4.1Å; I64-M156 HydrophobicContact CD1-CB 4.41Å; I64-M156 HydrophobicContact CD1-CE 4.18Å; I64-M156 HydrophobicContact CD1-SD 3.91Å
65	V	94	Very high	93.1	Very high	46 Å²	46	66.6 Å²	66.6	28%	0.279	35%	0.354	S	S	.	.	H	α-helix	trans	-60.1	-40.5	178.3	171.1	0	0	0	0	111.3	R61 T63 P69 I75	R61-V65 WeakPolarHBondContact O-CG2 3.45Å; R61-V65 PolarHBondContact O-N 2.7Å; T63-V65 PolarHBondContact O-N 3.4Å; V65-P69 VanDerWaalsContact O-CA 3.23Å; V65-P69 WeakPolarHBondContact O-CA 3.28Å; V65-I75 HydrophobicContact CG2-CG2 3.61Å
66	R	93.4	Very high	93	Very high	195 Å²	195	66.7 Å²	66.7	74%	0.736	35%	0.348	S	S	*	.	H	α-helix	trans	-68.4	-40.6	178.9	-168.4	-175.3	-53.9	151.5	8.4	112.3	D62 T63 I64	D62-R66 WeakPolarHBondContact O-CB 3.11Å; D62-R66 PolarHBondContact O-N 3.29Å; T63-R66 PolarHBondContact O-N 3.46Å; I64-R66 VanDerWaalsContact C-N 3.29Å; I64-R66 PolarHBondContact O-N 3.3Å
67	S	92.2	Very high	93	Very high	67 Å²	67	69 Å²	69	47%	0.469	36%	0.358	S	S	.	.	H	α-helix	trans	-74.2	-32.1	-179.2	-63.1	0	0	0	0	112.8	T63 I64	T63-S67 PolarHBondContact O-N 3.36Å; T63-S67 PolarHBondContact O-OG 3.13Å; T63-S67 VanDerWaalsContact O-OG 3.14Å; I64-S67 PolarHBondContact O-N 3.42Å
68	H	88.6	Confident	93	Very high	59 Å²	59	68.3 Å²	68.3	27%	0.273	35%	0.354	S	S	.	.			trans	-136.1	58.5	-172.8	-58.8	-75.6	0	0	0	113.1	I64 N70 G71 M72 Y148	I64-H68 PolarHBondContact O-N 2.95Å; H68-N70 VanDerWaalsContact C-N 3.27Å; H68-N70 PolarHBondContact O-N 3.48Å; H68-N70 VanDerWaalsContact O-N 3.1Å; H68-G71 PolarHBondContact O-N 3.23Å; H68-G71 VanDerWaalsContact O-N 3.08Å; H68-M72 HydrophobicContact CB-CB 4.31Å; H68-M72 HydrophobicContact CB-CG 3.68Å; H68-M72 PolarHBondContact O-N 2.87Å; H68-Y148 PolarHBondContact ND1-OH 2.95Å
69	P	83.2	Confident	93	Very high	85 Å²	85	64.9 Å²	64.9	55%	0.552	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-34.8	-167.5	21.8	-33.9	0	0	0	114.2	V65	V65-P69 VanDerWaalsContact O-CA 3.23Å; V65-P69 WeakPolarHBondContact O-CA 3.28Å
70	N	84.1	Confident	93.1	Very high	157 Å²	157	66.3 Å²	66.3	84%	0.84	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-28.6	178.6	-64.6	-27.1	0	0	0	113.2	H68	H68-N70 VanDerWaalsContact C-N 3.27Å; H68-N70 PolarHBondContact O-N 3.48Å; H68-N70 VanDerWaalsContact O-N 3.1Å
71	G	82.7	Confident	93.2	Very high	24 Å²	24	65.2 Å²	65.2	25%	0.247	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-27	-176.9	0	0	0	0	0	113	H68 P147	H68-G71 PolarHBondContact O-N 3.23Å; H68-G71 VanDerWaalsContact O-N 3.08Å; G71-P147 WeakPolarHBondContact O-CD 3.44Å; G71-P147 WeakPolarHBondContact O-CG 3.47Å
72	M	90.3	Very high	93.3	Very high	3 Å²	3	63 Å²	63	2%	0.015	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	36	-170.9	-65.1	-67.9	-172.9	0	0	112.3	I64 H68 N74 I75 I146 Y148 T150 V153	I64-M72 HydrophobicContact CG2-CB 3.79Å; I64-M72 HydrophobicContact CG2-CG 3.53Å; I64-M72 HydrophobicContact CG2-SD 4.18Å; H68-M72 HydrophobicContact CB-CB 4.31Å; H68-M72 HydrophobicContact CB-CG 3.68Å; H68-M72 PolarHBondContact O-N 2.87Å; M72-N74 PolarHBondContact O-N 3.23Å; M72-I75 HydrophobicContact CB-CB 4.43Å; M72-I75 WeakPolarHBondContact O-CB 3.48Å; M72-I75 WeakPolarHBondContact O-CG2 3.32Å; M72-I75 PolarHBondContact O-N 3.28Å; M72-I146 HydrophobicContact SD-CB 4.23Å; M72-I146 HydrophobicContact SD-CG2 4.11Å; M72-Y148 HydrophobicContact CE-CD2 3.83Å; M72-Y148 HydrophobicContact CE-CE2 3.55Å; M72-Y148 WeakPolarHBondContact CE-O 3.39Å; M72-T150 HydrophobicContact CE-CG2 4Å; M72-V153 HydrophobicContact CE-CG2 3.71Å; M72-V153 HydrophobicContact SD-CG2 4.39Å
73	K	88.2	Confident	93.4	Very high	175 Å²	175	61.1 Å²	61.1	76%	0.761	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.9	-175.8	-168	179.3	176.6	-172.9	0	113.3
74	N	94.9	Very high	93.6	Very high	65 Å²	65	61.6 Å²	61.6	35%	0.348	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	20	-176.5	-62.5	-4	0	0	0	112.6	M72 D76 E77 Y78 L145	M72-N74 PolarHBondContact O-N 3.23Å; N74-D76 PolarHBondContact O-N 3.29Å; N74-E77 WeakPolarHBondContact CA-OE2 3.07Å; N74-E77 WeakPolarHBondContact CB-OE2 3.03Å; N74-E77 PolarHBondContact O-N 3.49Å; N74-E77 PolarHBondContact OD1-OE2 3.2Å; N74-Y78 WeakPolarHBondContact O-CB 3.22Å; N74-Y78 PolarHBondContact O-N 3.27Å; N74-L145 VanDerWaalsContact CB-O 3.25Å; N74-L145 WeakPolarHBondContact CB-O 3.45Å; N74-L145 PolarHBondContact ND2-O 3.44Å
75	I	96	Very high	93.8	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-32.3	-175.5	-166.7	62.5	0	0	0	112.9	R61 I64 V65 M72 Y78 I79 I146 M156	R61-I75 HydrophobicContact CG-CG1 4.43Å; R61-I75 HydrophobicContact CG-CG2 4.25Å; I64-I75 HydrophobicContact CD1-CD1 4.47Å; I64-I75 HydrophobicContact CG2-CD1 4.17Å; I64-I75 HydrophobicContact CG2-CG1 4.28Å; V65-I75 HydrophobicContact CG2-CG2 3.61Å; M72-I75 HydrophobicContact CB-CB 4.43Å; M72-I75 WeakPolarHBondContact O-CB 3.48Å; M72-I75 WeakPolarHBondContact O-CG2 3.32Å; M72-I75 PolarHBondContact O-N 3.28Å; I75-Y78 HydrophobicContact CD1-CD1 4.15Å; I75-Y78 WeakPolarHBondContact O-CB 3.16Å; I75-Y78 PolarHBondContact O-N 2.98Å; I75-I79 HydrophobicContact CG1-CD1 4.17Å; I75-I79 WeakPolarHBondContact O-CD1 3.28Å; I75-I79 VanDerWaalsContact O-CG1 3.25Å; I75-I79 WeakPolarHBondContact O-CG1 3.28Å; I75-I79 PolarHBondContact O-N 3.46Å; I75-I146 HydrophobicContact CD1-CG2 4.36Å; I75-M156 HydrophobicContact CD1-CE 3.56Å; I75-M156 HydrophobicContact CD1-SD 4.47Å; I75-M156 HydrophobicContact CG1-CE 4.25Å
76	D	97	Very high	94	Very high	82 Å²	82	62.9 Å²	62.9	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-69.4	-43.5	179.2	-65.4	-30.9	0	0	0	111	R61 N74 Y78 I79 E80	R61-D76 IonicContact CZ-OD1 2.74Å; R61-D76 IonicContact CZ-OD2 3.89Å; R61-D76 IonicContact NE-OD1 3.85Å; R61-D76 PolarHBondContact NE-OD1 3.36Å; R61-D76 IonicContact NE-OD2 3.13Å; R61-D76 VanDerWaalsContact NH2-CG 3.35Å; R61-D76 IonicContact NH2-OD1 2.72Å; R61-D76 PolarHBondContact NH2-OD1 2.88Å; R61-D76 VanDerWaalsContact NH2-OD1 3.13Å; R61-D76 IonicContact NH2-OD2 3.88Å; R61-D76 PolarHBondContact NH2-OD2 2.92Å; N74-D76 PolarHBondContact O-N 3.29Å; D76-Y78 VanDerWaalsContact C-N 3.28Å; D76-Y78 PolarHBondContact O-N 3.5Å; D76-I79 PolarHBondContact O-N 2.91Å; D76-E80 WeakPolarHBondContact O-CB 3.47Å; D76-E80 PolarHBondContact O-N 3.4Å
77	E	97.7	Very high	94.2	Very high	102 Å²	102	59.2 Å²	59.2	48%	0.477	30%	0.304	S	S	.	.	H	α-helix	trans	-63.8	-37	175.2	-65.3	149.5	175.7	0	0	110.9	N74 C81 L145	N74-E77 WeakPolarHBondContact CA-OE2 3.07Å; N74-E77 WeakPolarHBondContact CB-OE2 3.03Å; N74-E77 PolarHBondContact O-N 3.49Å; N74-E77 PolarHBondContact OD1-OE2 3.2Å; E77-C81 VanDerWaalsContact O-CB 3.25Å; E77-C81 WeakPolarHBondContact O-CB 3.37Å; E77-C81 PolarHBondContact O-N 3.29Å; E77-L145 HydrophobicContact CB-CD1 4.27Å
78	Y	97.7	Very high	94.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-51.7	173.4	179.2	-98.9	0	0	0	112.4	N74 I75 D76 E80 C81 K82 C142 D143 L145 I146 Q149 V153 M156 D157	N74-Y78 WeakPolarHBondContact O-CB 3.22Å; N74-Y78 PolarHBondContact O-N 3.27Å; I75-Y78 HydrophobicContact CD1-CD1 4.15Å; I75-Y78 WeakPolarHBondContact O-CB 3.16Å; I75-Y78 PolarHBondContact O-N 2.98Å; D76-Y78 VanDerWaalsContact C-N 3.28Å; D76-Y78 PolarHBondContact O-N 3.5Å; Y78-E80 VanDerWaalsContact C-N 3.31Å; Y78-E80 PolarHBondContact O-N 2.89Å; Y78-C81 PolarHBondContact O-N 3.3Å; Y78-K82 HydrophobicContact CD1-CG 4.4Å; Y78-K82 HydrophobicContact CE1-CG 4.02Å; Y78-K82 HydrophobicContact CE2-CG 4.22Å; Y78-K82 WeakPolarHBondContact O-CG 3.43Å; Y78-K82 PolarHBondContact O-N 2.89Å; Y78-K82 WeakPolarHBondContact OH-CE 3.42Å; Y78-C142 HydrophobicContact CD2-CB 4.49Å; Y78-C142 WeakPolarHBondContact CD2-O 3.34Å; Y78-C142 HydrophobicContact CE2-CB 4.44Å; Y78-D143 PolarHBondContact OH-OD1 3.24Å; Y78-L145 HydrophobicContact CD2-CB 4.37Å; Y78-I146 HydrophobicContact CD1-CG2 4.46Å; Y78-I146 HydrophobicContact CD2-CB 4.49Å; Y78-I146 HydrophobicContact CD2-CD1 4.04Å; Y78-I146 HydrophobicContact CD2-CG1 3.94Å; Y78-I146 HydrophobicContact CD2-CG2 3.85Å; Y78-I146 HydrophobicContact CE1-CD1 4.24Å; Y78-I146 HydrophobicContact CE2-CD1 3.59Å; Y78-I146 HydrophobicContact CE2-CG1 3.81Å; Y78-I146 HydrophobicContact CE2-CG2 4.49Å; Y78-I146 HydrophobicContact CG-CG2 3.81Å; Y78-Q149 PolarHBondContact OH-NE2 2.91Å; Y78-Q149 VanDerWaalsContact OH-NE2 3.1Å; Y78-V153 HydrophobicContact CE1-CG1 3.89Å; Y78-M156 HydrophobicContact CD1-CE 3.75Å; Y78-M156 HydrophobicContact CE1-CE 3.83Å; Y78-D157 VanDerWaalsContact CE1-OD1 3.31Å; Y78-D157 WeakPolarHBondContact CE1-OD1 3.38Å; Y78-D157 VanDerWaalsContact OH-CG 3.31Å; Y78-D157 PolarHBondContact OH-OD1 3.36Å; Y78-D157 PolarHBondContact OH-OD2 3.49Å
79	I	98.1	Very high	94.9	Very high	26 Å²	26	57.6 Å²	57.6	13%	0.133	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-43	178.4	-68.8	163.2	0	0	0	110.4	I57 R61 I75 D76 S83 M156 I160	I57-I79 HydrophobicContact CG2-CG2 4.23Å; R61-I79 HydrophobicContact CB-CD1 3.71Å; R61-I79 HydrophobicContact CG-CD1 3.5Å; I75-I79 HydrophobicContact CG1-CD1 4.17Å; I75-I79 WeakPolarHBondContact O-CD1 3.28Å; I75-I79 VanDerWaalsContact O-CG1 3.25Å; I75-I79 WeakPolarHBondContact O-CG1 3.28Å; I75-I79 PolarHBondContact O-N 3.46Å; D76-I79 PolarHBondContact O-N 2.91Å; I79-S83 WeakPolarHBondContact O-CB 3.39Å; I79-S83 PolarHBondContact O-N 3.39Å; I79-S83 PolarHBondContact O-OG 3.25Å; I79-M156 HydrophobicContact CD1-CE 4.11Å; I79-M156 HydrophobicContact CD1-SD 3.6Å; I79-M156 VanDerWaalsContact CD1-SD 3.6Å; I79-M156 HydrophobicContact CG1-CE 3.62Å; I79-M156 HydrophobicContact CG1-SD 3.67Å; I79-I160 HydrophobicContact CB-CD1 4.44Å; I79-I160 HydrophobicContact CG1-CD1 4.27Å; I79-I160 HydrophobicContact CG2-CD1 4.16Å
80	E	98.4	Very high	95.6	Very high	105 Å²	105	54.9 Å²	54.9	49%	0.491	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-46.7	176.8	-172.8	-176.7	167.4	0	0	111.3	D76 Y78 S83 K84	D76-E80 WeakPolarHBondContact O-CB 3.47Å; D76-E80 PolarHBondContact O-N 3.4Å; Y78-E80 VanDerWaalsContact C-N 3.31Å; Y78-E80 PolarHBondContact O-N 2.89Å; E80-S83 PolarHBondContact O-N 3.42Å; E80-K84 HydrophobicContact CG-CD 4.45Å; E80-K84 WeakPolarHBondContact O-CG 3.29Å; E80-K84 PolarHBondContact O-N 3.08Å; E80-K84 WeakPolarHBondContact OE1-CE 3.48Å; E80-K84 IonicContact OE1-NZ 2.76Å; E80-K84 PolarHBondContact OE1-NZ 3.3Å
81	C	98.7	Very high	96.2	Very high	10 Å²	10	48 Å²	48	7%	0.068	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-53.2	178.5	-173.7	0	0	0	0	111.6	E77 Y78 S83 K84 Y85 C142 L145	E77-C81 VanDerWaalsContact O-CB 3.25Å; E77-C81 WeakPolarHBondContact O-CB 3.37Å; E77-C81 PolarHBondContact O-N 3.29Å; Y78-C81 PolarHBondContact O-N 3.3Å; C81-S83 VanDerWaalsContact C-N 3.28Å; C81-S83 PolarHBondContact O-N 3.46Å; C81-K84 PolarHBondContact O-N 2.96Å; C81-Y85 PolarHBondContact O-N 3.36Å; C81-C142 HydrophobicContact CB-CB 3.76Å; C81-C142 WeakPolarHBondContact CB-SG 3.31Å; C81-C142 WeakPolarHBondContact SG-CA 3.34Å; C81-C142 WeakPolarHBondContact SG-CB 3.24Å; C81-C142 CovalentContact SG-SG 2.04Å; C81-C142 PolarHBondContact SG-SG 3.3Å; C81-L145 HydrophobicContact CB-CD1 3.81Å
82	K	98.3	Very high	96.8	Very high	7 Å²	7	50.8 Å²	50.8	3%	0.03	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-40.6	176.7	-70.5	-71.6	-168.8	175.3	0	111.6	Y78 K84 Y85 F86 I139 C142 D143 D157 I160	Y78-K82 HydrophobicContact CD1-CG 4.4Å; Y78-K82 HydrophobicContact CE1-CG 4.02Å; Y78-K82 HydrophobicContact CE2-CG 4.22Å; Y78-K82 WeakPolarHBondContact O-CG 3.43Å; Y78-K82 PolarHBondContact O-N 2.89Å; Y78-K82 WeakPolarHBondContact OH-CE 3.42Å; K82-K84 PolarHBondContact O-N 3.03Å; K82-Y85 WeakPolarHBondContact O-CB 3.34Å; K82-Y85 PolarHBondContact O-N 3.49Å; K82-F86 HydrophobicContact CB-CD2 4.39Å; K82-F86 HydrophobicContact CB-CE2 4.42Å; K82-F86 HydrophobicContact CD-CE2 4.31Å; K82-F86 WeakPolarHBondContact O-CD2 3.47Å; K82-F86 PolarHBondContact O-N 2.82Å; K82-I139 HydrophobicContact CD-CD1 3.79Å; K82-C142 HydrophobicContact CD-CB 4.01Å; K82-C142 HydrophobicContact CG-CB 4.14Å; K82-D143 VanDerWaalsContact CE-OD1 3.25Å; K82-D143 WeakPolarHBondContact CE-OD1 3.45Å; K82-D143 IonicContact NZ-OD1 2.88Å; K82-D143 PolarHBondContact NZ-OD1 3.39Å; K82-D143 IonicContact NZ-OD2 2.92Å; K82-D157 IonicContact NZ-OD2 3.36Å; K82-I160 HydrophobicContact CB-CD1 4.15Å; K82-I160 HydrophobicContact CB-CG2 4.25Å
83	S	98.5	Very high	97.1	Very high	20 Å²	20	53.1 Å²	53.1	14%	0.14	25%	0.25	C	C	.	.	H	α-helix	trans	-63.2	-41.6	178.5	-66.4	0	0	0	0	112.2	I79 E80 C81 K87 F164	I79-S83 WeakPolarHBondContact O-CB 3.39Å; I79-S83 PolarHBondContact O-N 3.39Å; I79-S83 PolarHBondContact O-OG 3.25Å; E80-S83 PolarHBondContact O-N 3.42Å; C81-S83 VanDerWaalsContact C-N 3.28Å; C81-S83 PolarHBondContact O-N 3.46Å; S83-K87 WeakPolarHBondContact O-CB 3.47Å; S83-K87 PolarHBondContact O-N 3.19Å; S83-F164 WeakPolarHBondContact O-CE2 3.41Å; S83-F164 WeakPolarHBondContact O-CZ 3.41Å
84	K	98.5	Very high	97.5	Very high	64 Å²	64	44.9 Å²	44.9	28%	0.278	21%	0.214	S	C	.	.	H	α-helix	trans	-65.2	-42.1	175.9	-73.2	179.4	-175.7	167.9	0	111.7	E80 C81 K82 A88 V133 Y137	E80-K84 HydrophobicContact CG-CD 4.45Å; E80-K84 WeakPolarHBondContact O-CG 3.29Å; E80-K84 PolarHBondContact O-N 3.08Å; E80-K84 WeakPolarHBondContact OE1-CE 3.48Å; E80-K84 IonicContact OE1-NZ 2.76Å; E80-K84 PolarHBondContact OE1-NZ 3.3Å; C81-K84 PolarHBondContact O-N 2.96Å; K82-K84 PolarHBondContact O-N 3.03Å; K84-A88 WeakPolarHBondContact O-CB 3.08Å; K84-A88 PolarHBondContact O-N 2.81Å; K84-A88 VanDerWaalsContact O-N 3.07Å; K84-V133 HydrophobicContact CB-CG1 4.42Å; K84-Y137 HydrophobicContact CB-CD1 4.28Å; K84-Y137 HydrophobicContact CB-CD2 3.79Å; K84-Y137 HydrophobicContact CB-CE2 4.26Å; K84-Y137 HydrophobicContact CB-CG 3.8Å; K84-Y137 HydrophobicContact CD-CD1 3.9Å; K84-Y137 HydrophobicContact CD-CD2 3.88Å; K84-Y137 HydrophobicContact CD-CE1 3.53Å; K84-Y137 HydrophobicContact CD-CE2 3.5Å; K84-Y137 VanDerWaalsContact CD-CE2 3.5Å; K84-Y137 HydrophobicContact CD-CG 4.06Å; K84-Y137 HydrophobicContact CG-CD2 4.47Å; K84-Y137 HydrophobicContact CG-CE2 4.46Å; K84-Y137 PolarHBondContact NZ-OH 2.89Å; K84-Y137 VanDerWaalsContact NZ-OH 3.14Å
85	Y	98.6	Very high	97.6	Very high	47 Å²	47	43.4 Å²	43.4	18%	0.184	20%	0.203	C	C	.	.	H	α-helix	trans	-57.8	-58.1	174.5	-179.3	-94.2	0	0	0	112	C81 K82 K87 A88 Y89 M134 Y137 I139	C81-Y85 PolarHBondContact O-N 3.36Å; K82-Y85 WeakPolarHBondContact O-CB 3.34Å; K82-Y85 PolarHBondContact O-N 3.49Å; Y85-K87 VanDerWaalsContact C-N 3.33Å; Y85-K87 PolarHBondContact O-N 3.25Å; Y85-A88 PolarHBondContact O-N 2.59Å; Y85-Y89 WeakPolarHBondContact O-CB 3.41Å; Y85-Y89 PolarHBondContact O-N 3.45Å; Y85-M134 HydrophobicContact CD2-CB 4.26Å; Y85-M134 HydrophobicContact CD2-CG 4.29Å; Y85-M134 HydrophobicContact CE2-CB 4.15Å; Y85-M134 HydrophobicContact CE2-CE 4.11Å; Y85-M134 HydrophobicContact CE2-CG 4.25Å; Y85-Y137 WeakPolarHBondContact CB-O 3.46Å; Y85-Y137 WeakPolarHBondContact CD2-O 3.18Å; Y85-I139 HydrophobicContact CD1-CD1 3.47Å; Y85-I139 VanDerWaalsContact CD1-CD1 3.47Å; Y85-I139 HydrophobicContact CD1-CG1 3.89Å; Y85-I139 HydrophobicContact CD2-CD1 4.44Å; Y85-I139 HydrophobicContact CD2-CG1 4.25Å; Y85-I139 HydrophobicContact CE1-CD1 3.65Å; Y85-I139 HydrophobicContact CE1-CG1 3.63Å; Y85-I139 HydrophobicContact CE2-CG1 4.01Å; Y85-I139 HydrophobicContact CG-CD1 3.9Å; Y85-I139 HydrophobicContact CG-CG1 4.19Å
86	F	98.5	Very high	97.6	Very high	26 Å²	26	46 Å²	46	11%	0.114	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-35.8	-175.8	-74	-60.5	0	0	0	112	K82 A88 Y89 R90 I139 I160 N161 F164	K82-F86 HydrophobicContact CB-CD2 4.39Å; K82-F86 HydrophobicContact CB-CE2 4.42Å; K82-F86 HydrophobicContact CD-CE2 4.31Å; K82-F86 WeakPolarHBondContact O-CD2 3.47Å; K82-F86 PolarHBondContact O-N 2.82Å; F86-A88 PolarHBondContact O-N 2.83Å; F86-Y89 PolarHBondContact O-N 3.42Å; F86-R90 WeakPolarHBondContact O-CB 3.39Å; F86-R90 VanDerWaalsContact O-CG 3.23Å; F86-R90 WeakPolarHBondContact O-CG 3.35Å; F86-R90 PolarHBondContact O-N 2.95Å; F86-I139 HydrophobicContact CZ-CD1 4.29Å; F86-I160 HydrophobicContact CD2-CG2 3.76Å; F86-I160 HydrophobicContact CE2-CG2 4.38Å; F86-N161 HydrophobicContact CD1-CB 4.16Å; F86-N161 HydrophobicContact CD2-CB 4.35Å; F86-N161 HydrophobicContact CE1-CB 3.89Å; F86-N161 HydrophobicContact CE2-CB 4.07Å; F86-N161 HydrophobicContact CG-CB 4.4Å; F86-N161 HydrophobicContact CZ-CB 3.83Å; F86-F164 HydrophobicContact CB-CB 4.12Å; F86-F164 HydrophobicContact CB-CD2 3.67Å; F86-F164 HydrophobicContact CB-CE2 4.46Å; F86-F164 HydrophobicContact CB-CG 4.1Å
87	K	98	Very high	97.5	Very high	118 Å²	118	44.7 Å²	44.7	51%	0.513	22%	0.217	S	C	.	.	H	α-helix	trans	-57.2	-51.1	171.8	-173	179.2	177.2	-176.7	0	111.3	S83 Y85 R90 S91 F164	S83-K87 WeakPolarHBondContact O-CB 3.47Å; S83-K87 PolarHBondContact O-N 3.19Å; Y85-K87 VanDerWaalsContact C-N 3.33Å; Y85-K87 PolarHBondContact O-N 3.25Å; K87-R90 PolarHBondContact O-N 3.39Å; K87-S91 PolarHBondContact O-N 2.58Å; K87-S91 PolarHBondContact O-OG 3.22Å; K87-F164 HydrophobicContact CB-CD1 3.79Å; K87-F164 HydrophobicContact CB-CE1 3.5Å; K87-F164 VanDerWaalsContact CB-CE1 3.5Å; K87-F164 HydrophobicContact CB-CZ 4.01Å; K87-F164 HydrophobicContact CD-CE1 4.25Å; K87-F164 HydrophobicContact CG-CD1 4.17Å; K87-F164 HydrophobicContact CG-CE1 3.85Å
88	A	98	Very high	97.4	Very high	5 Å²	5	39.9 Å²	39.9	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-44.9	-179.4	0	0	0	0	0	111.9	K84 Y85 F86 R90 S91 N92 S130 V133 M134	K84-A88 WeakPolarHBondContact O-CB 3.08Å; K84-A88 PolarHBondContact O-N 2.81Å; K84-A88 VanDerWaalsContact O-N 3.07Å; Y85-A88 PolarHBondContact O-N 2.59Å; F86-A88 PolarHBondContact O-N 2.83Å; A88-R90 VanDerWaalsContact C-N 3.35Å; A88-R90 PolarHBondContact O-N 3.32Å; A88-S91 WeakPolarHBondContact O-CB 3.36Å; A88-S91 PolarHBondContact O-N 2.98Å; A88-N92 PolarHBondContact O-N 3.01Å; A88-S130 VanDerWaalsContact O-CB 3.26Å; A88-S130 WeakPolarHBondContact O-CB 3.45Å; A88-V133 HydrophobicContact CB-CB 3.8Å; A88-V133 HydrophobicContact CB-CG1 3.61Å; A88-M134 HydrophobicContact CB-CG 3.68Å
89	Y	97.8	Very high	97.3	Very high	87 Å²	87	44.4 Å²	44.4	34%	0.341	22%	0.216	S	C	.	.	H	α-helix	trans	-55.4	-49.1	175.5	178.5	-107.7	0	0	0	111.9	Y85 F86 N92 E93 M134	Y85-Y89 WeakPolarHBondContact O-CB 3.41Å; Y85-Y89 PolarHBondContact O-N 3.45Å; F86-Y89 PolarHBondContact O-N 3.42Å; Y89-N92 PolarHBondContact O-N 3.23Å; Y89-E93 PolarHBondContact O-N 3.36Å; Y89-E93 PolarHBondContact OH-OE1 3.18Å; Y89-M134 HydrophobicContact CD2-CE 3.81Å; Y89-M134 HydrophobicContact CD2-SD 4.36Å
90	R	97.7	Very high	97.1	Very high	28 Å²	28	47.9 Å²	47.9	11%	0.106	23%	0.234	C	C	.	.	H	α-helix	trans	-68.7	-35.4	178.8	-64.4	-55.1	179.1	-173.3	8.7	112.9	F86 K87 A88 N92 E93 T94 N161 F164 E165 K168	F86-R90 WeakPolarHBondContact O-CB 3.39Å; F86-R90 VanDerWaalsContact O-CG 3.23Å; F86-R90 WeakPolarHBondContact O-CG 3.35Å; F86-R90 PolarHBondContact O-N 2.95Å; K87-R90 PolarHBondContact O-N 3.39Å; A88-R90 VanDerWaalsContact C-N 3.35Å; A88-R90 PolarHBondContact O-N 3.32Å; R90-N92 PolarHBondContact O-N 2.95Å; R90-E93 VanDerWaalsContact CD-OE2 3.31Å; R90-E93 WeakPolarHBondContact CD-OE2 3.47Å; R90-E93 IonicContact CZ-OE2 3.13Å; R90-E93 IonicContact NE-OE2 2.59Å; R90-E93 IonicContact NH1-OE1 2.73Å; R90-E93 PolarHBondContact NH1-OE1 3.41Å; R90-E93 IonicContact NH1-OE2 2.86Å; R90-E93 PolarHBondContact NH1-OE2 2.89Å; R90-E93 PolarHBondContact O-N 3.06Å; R90-T94 WeakPolarHBondContact O-CB 3.29Å; R90-T94 PolarHBondContact O-N 2.99Å; R90-T94 PolarHBondContact O-OG1 3.32Å; R90-N161 PolarHBondContact NH2-OD1 3.36Å; R90-F164 HydrophobicContact CB-CB 4.44Å; R90-F164 HydrophobicContact CG-CB 3.78Å; R90-E165 WeakPolarHBondContact CD-OE2 3.31Å; R90-E165 IonicContact CZ-OE2 2.73Å; R90-E165 IonicContact NE-OE2 3.94Å; R90-E165 PolarHBondContact NE-OE2 3.39Å; R90-E165 IonicContact NH1-OE2 2.64Å; R90-E165 PolarHBondContact NH1-OE2 3.14Å; R90-E165 IonicContact NH2-OE2 3.66Å; R90-E165 PolarHBondContact NH2-OE2 2.99Å; R90-K168 HydrophobicContact CB-CB 4.26Å
91	S	96.8	Very high	96.9	Very high	13 Å²	13	44.3 Å²	44.3	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-56.2	-40	173.6	-66.5	0	0	0	0	112.4	K87 A88 W95	K87-S91 PolarHBondContact O-N 2.58Å; K87-S91 PolarHBondContact O-OG 3.22Å; A88-S91 WeakPolarHBondContact O-CB 3.36Å; A88-S91 PolarHBondContact O-N 2.98Å; S91-W95 PolarHBondContact O-N 3.08Å
92	N	95.3	Very high	96.7	Very high	82 Å²	82	46 Å²	46	44%	0.439	22%	0.224	S	C	.	.	H	α-helix	trans	-66.8	-45.8	178	-166.1	21.3	0	0	0	111.8	A88 Y89 R90 T94 W95 S96	A88-N92 PolarHBondContact O-N 3.01Å; Y89-N92 PolarHBondContact O-N 3.23Å; R90-N92 PolarHBondContact O-N 2.95Å; N92-T94 PolarHBondContact O-N 3.46Å; N92-W95 PolarHBondContact O-N 2.91Å; N92-S96 PolarHBondContact O-N 2.91Å; N92-S96 VanDerWaalsContact O-N 3.11Å
93	E	96.3	Very high	96.5	Very high	52 Å²	52	47.3 Å²	47.3	24%	0.243	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-43.1	174.9	-66.5	-171.1	149	0	0	112.4	Y89 R90 W95 S96 T97 K168	Y89-E93 PolarHBondContact O-N 3.36Å; Y89-E93 PolarHBondContact OH-OE1 3.18Å; R90-E93 VanDerWaalsContact CD-OE2 3.31Å; R90-E93 WeakPolarHBondContact CD-OE2 3.47Å; R90-E93 IonicContact CZ-OE2 3.13Å; R90-E93 IonicContact NE-OE2 2.59Å; R90-E93 IonicContact NH1-OE1 2.73Å; R90-E93 PolarHBondContact NH1-OE1 3.41Å; R90-E93 IonicContact NH1-OE2 2.86Å; R90-E93 PolarHBondContact NH1-OE2 2.89Å; R90-E93 PolarHBondContact O-N 3.06Å; E93-W95 VanDerWaalsContact C-N 3.32Å; E93-W95 PolarHBondContact O-N 2.93Å; E93-S96 PolarHBondContact O-N 3.4Å; E93-T97 WeakPolarHBondContact O-CB 3.22Å; E93-T97 PolarHBondContact O-N 3.46Å; E93-T97 PolarHBondContact O-OG1 3.03Å; E93-K168 HydrophobicContact CB-CD 3.91Å; E93-K168 IonicContact OE2-NZ 3.84Å; E93-K168 PolarHBondContact OE2-NZ 3.19Å
94	T	96.4	Very high	96.2	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-56.3	-48.8	176.1	-63.5	0	0	0	0	110.2	R90 N92 T97 I98 F123 K168 D171 I172	R90-T94 WeakPolarHBondContact O-CB 3.29Å; R90-T94 PolarHBondContact O-N 2.99Å; R90-T94 PolarHBondContact O-OG1 3.32Å; N92-T94 PolarHBondContact O-N 3.46Å; T94-T97 PolarHBondContact O-N 3.14Å; T94-I98 HydrophobicContact CG2-CD1 3.67Å; T94-I98 HydrophobicContact CG2-CG1 4.4Å; T94-I98 VanDerWaalsContact O-CG1 3.29Å; T94-I98 WeakPolarHBondContact O-CG1 3.41Å; T94-I98 PolarHBondContact O-N 3.25Å; T94-F123 HydrophobicContact CG2-CD1 3.84Å; T94-F123 HydrophobicContact CG2-CE1 4.06Å; T94-F123 HydrophobicContact CG2-CG 4.31Å; T94-K168 WeakPolarHBondContact OG1-CG 3.4Å; T94-D171 HydrophobicContact CG2-CB 3.87Å; T94-I172 HydrophobicContact CG2-CG1 4.28Å
95	W	96.8	Very high	96	Very high	34 Å²	34	48.6 Å²	48.6	13%	0.129	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-47.3	-178.8	177.5	-120.6	0	0	0	112.5	S91 N92 E93 T97 I98 Q99 E120 F123 K124 A127	S91-W95 PolarHBondContact O-N 3.08Å; N92-W95 PolarHBondContact O-N 2.91Å; E93-W95 VanDerWaalsContact C-N 3.32Å; E93-W95 PolarHBondContact O-N 2.93Å; W95-T97 VanDerWaalsContact C-N 3.27Å; W95-T97 PolarHBondContact O-N 3.26Å; W95-I98 HydrophobicContact CE3-CB 4.33Å; W95-I98 HydrophobicContact CE3-CG2 4.19Å; W95-I98 HydrophobicContact CZ3-CG2 3.95Å; W95-I98 PolarHBondContact O-N 3.25Å; W95-Q99 HydrophobicContact CD2-CG 4.17Å; W95-Q99 HydrophobicContact CH2-CG 4.14Å; W95-Q99 HydrophobicContact CZ2-CG 3.76Å; W95-Q99 HydrophobicContact CZ3-CG 4.49Å; W95-Q99 WeakPolarHBondContact O-CG 3.48Å; W95-Q99 PolarHBondContact O-N 3.18Å; W95-E120 HydrophobicContact CH2-CG 4.07Å; W95-E120 HydrophobicContact CZ3-CG 3.56Å; W95-F123 HydrophobicContact CE3-CB 4.14Å; W95-K124 HydrophobicContact CD2-CB 4.2Å; W95-K124 HydrophobicContact CE3-CB 4.14Å; W95-K124 HydrophobicContact CH2-CB 3.82Å; W95-K124 HydrophobicContact CH2-CD 4.36Å; W95-K124 HydrophobicContact CH2-CG 4.19Å; W95-K124 HydrophobicContact CZ2-CB 3.86Å; W95-K124 HydrophobicContact CZ2-CD 4.07Å; W95-K124 HydrophobicContact CZ2-CG 3.77Å; W95-K124 HydrophobicContact CZ3-CB 3.97Å; W95-A127 HydrophobicContact CB-CB 3.46Å; W95-A127 VanDerWaalsContact CB-CB 3.46Å; W95-A127 HydrophobicContact CG-CB 3.7Å
96	S	96	Very high	95.8	Very high	58 Å²	58	50.4 Å²	50.4	41%	0.406	26%	0.256	S	S	.	.	H	α-helix	trans	-55.8	-44.7	174.9	-171.7	0	0	0	0	111.4	N92 E93 I98 Q99 D100	N92-S96 PolarHBondContact O-N 2.91Å; N92-S96 VanDerWaalsContact O-N 3.11Å; E93-S96 PolarHBondContact O-N 3.4Å; S96-I98 PolarHBondContact O-N 2.86Å; S96-Q99 PolarHBondContact O-N 2.9Å; S96-D100 PolarHBondContact O-N 2.83Å; S96-D100 VanDerWaalsContact O-N 3.08Å
97	T	96	Very high	95.5	Very high	54 Å²	54	57.7 Å²	57.7	33%	0.331	29%	0.288	S	S	.	.	H	α-helix	trans	-67	-37.1	-179.2	-52.2	0	0	0	0	112.2	E93 T94 W95 Q99 D100 L101 I172	E93-T97 WeakPolarHBondContact O-CB 3.22Å; E93-T97 PolarHBondContact O-N 3.46Å; E93-T97 PolarHBondContact O-OG1 3.03Å; T94-T97 PolarHBondContact O-N 3.14Å; W95-T97 VanDerWaalsContact C-N 3.27Å; W95-T97 PolarHBondContact O-N 3.26Å; T97-Q99 VanDerWaalsContact C-N 3.34Å; T97-D100 PolarHBondContact O-N 3.32Å; T97-L101 VanDerWaalsContact O-CB 3.28Å; T97-L101 WeakPolarHBondContact O-CB 3.44Å; T97-L101 PolarHBondContact O-N 3Å; T97-I172 HydrophobicContact CG2-CD1 3.71Å; T97-I172 HydrophobicContact CG2-CG1 4.14Å; T97-I172 HydrophobicContact CG2-CG2 4.22Å
98	I	94.7	Very high	95.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-42.3	174.6	-74.1	165.1	0	0	0	110.8	T94 W95 S96 L101 R102 E120 F123 I175	T94-I98 HydrophobicContact CG2-CD1 3.67Å; T94-I98 HydrophobicContact CG2-CG1 4.4Å; T94-I98 VanDerWaalsContact O-CG1 3.29Å; T94-I98 WeakPolarHBondContact O-CG1 3.41Å; T94-I98 PolarHBondContact O-N 3.25Å; W95-I98 HydrophobicContact CE3-CB 4.33Å; W95-I98 HydrophobicContact CE3-CG2 4.19Å; W95-I98 HydrophobicContact CZ3-CG2 3.95Å; W95-I98 PolarHBondContact O-N 3.25Å; S96-I98 PolarHBondContact O-N 2.86Å; I98-L101 PolarHBondContact O-N 2.73Å; I98-R102 WeakPolarHBondContact O-CB 3.47Å; I98-R102 PolarHBondContact O-N 2.88Å; I98-E120 HydrophobicContact CG2-CG 4.21Å; I98-F123 HydrophobicContact CD1-CB 3.85Å; I98-F123 HydrophobicContact CD1-CD1 4.46Å; I98-F123 HydrophobicContact CD1-CD2 3.52Å; I98-F123 HydrophobicContact CD1-CE2 4.19Å; I98-F123 HydrophobicContact CD1-CG 3.69Å; I98-I175 HydrophobicContact CD1-CG1 3.76Å; I98-I175 HydrophobicContact CG1-CB 4.23Å; I98-I175 HydrophobicContact CG1-CG1 4.01Å; I98-I175 HydrophobicContact CG1-CG2 4.15Å; I98-I175 HydrophobicContact CG2-CG2 4.09Å
99	Q	95	Very high	94.9	Very high	95 Å²	95	57.9 Å²	57.9	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-45.3	177.7	-67.2	-178.5	-61.6	0	0	111.5	W95 S96 T97 R102 G103	W95-Q99 HydrophobicContact CD2-CG 4.17Å; W95-Q99 HydrophobicContact CH2-CG 4.14Å; W95-Q99 HydrophobicContact CZ2-CG 3.76Å; W95-Q99 HydrophobicContact CZ3-CG 4.49Å; W95-Q99 WeakPolarHBondContact O-CG 3.48Å; W95-Q99 PolarHBondContact O-N 3.18Å; S96-Q99 PolarHBondContact O-N 2.9Å; T97-Q99 VanDerWaalsContact C-N 3.34Å; Q99-R102 PolarHBondContact O-N 2.92Å; Q99-G103 PolarHBondContact O-N 2.95Å
100	D	95.7	Very high	94.6	Very high	99 Å²	99	58.5 Å²	58.5	53%	0.529	30%	0.304	S	S	.	.	H	α-helix	trans	-63	-44.5	176.5	-70	-23.3	0	0	0	111.7	S96 T97 R102 G103 N104	S96-D100 PolarHBondContact O-N 2.83Å; S96-D100 VanDerWaalsContact O-N 3.08Å; T97-D100 PolarHBondContact O-N 3.32Å; D100-R102 PolarHBondContact O-N 3.13Å; D100-G103 PolarHBondContact O-N 3.43Å; D100-N104 WeakPolarHBondContact O-CB 3.45Å; D100-N104 VanDerWaalsContact O-CG 3.29Å; D100-N104 PolarHBondContact O-N 3.26Å; D100-N104 PolarHBondContact O-ND2 2.96Å; D100-N104 VanDerWaalsContact O-ND2 3.15Å
101	L	94	Very high	94.2	Very high	30 Å²	30	64.9 Å²	64.9	16%	0.157	34%	0.34	C	S	.	.	H	α-helix	trans	-60.4	-44.4	177.8	-176.9	65.1	0	0	0	111.6	T97 I98 N104 Y105 I175 K176 F179	T97-L101 VanDerWaalsContact O-CB 3.28Å; T97-L101 WeakPolarHBondContact O-CB 3.44Å; T97-L101 PolarHBondContact O-N 3Å; I98-L101 PolarHBondContact O-N 2.73Å; L101-N104 PolarHBondContact O-N 3.43Å; L101-Y105 HydrophobicContact CD1-CD2 4.01Å; L101-Y105 HydrophobicContact CD1-CE2 3.48Å; L101-Y105 VanDerWaalsContact CD1-CE2 3.48Å; L101-Y105 HydrophobicContact CD2-CE2 4.24Å; L101-Y105 HydrophobicContact CG-CD2 3.97Å; L101-Y105 HydrophobicContact CG-CE2 3.72Å; L101-Y105 WeakPolarHBondContact O-CD2 3.48Å; L101-Y105 PolarHBondContact O-N 3.42Å; L101-I175 HydrophobicContact CD2-CG2 4.43Å; L101-K176 HydrophobicContact CD2-CB 3.88Å; L101-K176 HydrophobicContact CD2-CG 4.24Å; L101-F179 HydrophobicContact CD2-CD2 4.11Å; L101-F179 HydrophobicContact CD2-CE2 4.41Å; L101-F179 HydrophobicContact CG-CD2 4.15Å; L101-F179 HydrophobicContact CG-CE2 4.41Å
102	R	93.4	Very high	94	Very high	46 Å²	46	65 Å²	65	17%	0.174	34%	0.34	C	S	.	.	H	α-helix	trans	-58.2	-54.1	173.4	165.5	-176.8	-82.9	160.6	-8	110.6	I98 Q99 D100 N104 Y105 E106 F114 E120 F179	I98-R102 WeakPolarHBondContact O-CB 3.47Å; I98-R102 PolarHBondContact O-N 2.88Å; Q99-R102 PolarHBondContact O-N 2.92Å; D100-R102 PolarHBondContact O-N 3.13Å; R102-N104 PolarHBondContact O-N 3.41Å; R102-Y105 PolarHBondContact O-N 3.02Å; R102-E106 VanDerWaalsContact CD-OE1 3.28Å; R102-E106 WeakPolarHBondContact CD-OE1 3.4Å; R102-E106 VanDerWaalsContact CG-CD 3.43Å; R102-E106 HydrophobicContact CG-CG 4.02Å; R102-E106 VanDerWaalsContact CG-OE1 3.29Å; R102-E106 WeakPolarHBondContact CG-OE1 3.06Å; R102-E106 IonicContact NE-OE1 2.72Å; R102-E106 WeakPolarHBondContact O-CG 3.39Å; R102-E106 PolarHBondContact O-N 3.03Å; R102-F114 PolarHBondContact NH2-O 3.05Å; R102-E120 VanDerWaalsContact CZ-CD 3.5Å; R102-E120 IonicContact CZ-OE1 3.7Å; R102-E120 IonicContact CZ-OE2 2.86Å; R102-E120 IonicContact NH1-OE1 3.47Å; R102-E120 PolarHBondContact NH1-OE1 2.93Å; R102-E120 IonicContact NH1-OE2 3.93Å; R102-E120 IonicContact NH2-OE1 2.72Å; R102-E120 PolarHBondContact NH2-OE1 2.74Å; R102-E120 IonicContact NH2-OE2 2.83Å; R102-E120 PolarHBondContact NH2-OE2 3.22Å; R102-F179 HydrophobicContact CB-CE2 3.93Å; R102-F179 HydrophobicContact CB-CZ 4.11Å
103	G	93.6	Very high	93.7	Very high	34 Å²	34	66 Å²	66	35%	0.351	35%	0.345	S	S	.	.	H	α-helix	trans	-58.6	-37.5	-175.4	0	0	0	0	0	112	Q99 D100 K107	Q99-G103 PolarHBondContact O-N 2.95Å; D100-G103 PolarHBondContact O-N 3.43Å; G103-K107 WeakPolarHBondContact O-CB 3.4Å; G103-K107 PolarHBondContact O-N 3.3Å; G103-K107 VanDerWaalsContact O-N 3.09Å
104	N	93.7	Very high	93.4	Very high	93 Å²	93	63.7 Å²	63.7	50%	0.497	34%	0.335	S	S	.	.	H	α-helix	trans	-64	-46	173.7	-72.8	-32.7	0	0	0	112.4	D100 L101 R102 K107 Q108	D100-N104 WeakPolarHBondContact O-CB 3.45Å; D100-N104 VanDerWaalsContact O-CG 3.29Å; D100-N104 PolarHBondContact O-N 3.26Å; D100-N104 PolarHBondContact O-ND2 2.96Å; D100-N104 VanDerWaalsContact O-ND2 3.15Å; L101-N104 PolarHBondContact O-N 3.43Å; R102-N104 PolarHBondContact O-N 3.41Å; N104-K107 PolarHBondContact O-N 3.3Å; N104-Q108 WeakPolarHBondContact O-CG 3.46Å; N104-Q108 PolarHBondContact O-N 3.48Å; N104-Q108 VanDerWaalsContact O-N 3.1Å
105	Y	93.3	Very high	92.9	Very high	18 Å²	18	68.7 Å²	68.7	7%	0.071	36%	0.362	C	S	.	.	H	α-helix	trans	-70.4	-37.2	178.1	-75.8	-44	0	0	0	113.6	L26 L101 R102 K107 Q108 F109 F114 K176 F179 L180 I183	L26-Y105 HydrophobicContact CD1-CE1 4.18Å; L101-Y105 HydrophobicContact CD1-CD2 4.01Å; L101-Y105 HydrophobicContact CD1-CE2 3.48Å; L101-Y105 VanDerWaalsContact CD1-CE2 3.48Å; L101-Y105 HydrophobicContact CD2-CE2 4.24Å; L101-Y105 HydrophobicContact CG-CD2 3.97Å; L101-Y105 HydrophobicContact CG-CE2 3.72Å; L101-Y105 WeakPolarHBondContact O-CD2 3.48Å; L101-Y105 PolarHBondContact O-N 3.42Å; R102-Y105 PolarHBondContact O-N 3.02Å; Y105-K107 VanDerWaalsContact C-N 3.28Å; Y105-K107 PolarHBondContact O-N 3.27Å; Y105-Q108 PolarHBondContact O-N 2.94Å; Y105-F109 HydrophobicContact CD1-CD2 4.28Å; Y105-F109 HydrophobicContact CD1-CE2 4.3Å; Y105-F109 WeakPolarHBondContact O-CA 3.44Å; Y105-F109 WeakPolarHBondContact O-CB 3.38Å; Y105-F109 PolarHBondContact O-N 3.36Å; Y105-F114 HydrophobicContact CG-CZ 4.46Å; Y105-K176 HydrophobicContact CE2-CG 4.47Å; Y105-K176 WeakPolarHBondContact OH-CE 3.37Å; Y105-F179 HydrophobicContact CD2-CB 3.78Å; Y105-F179 AromaticContact CD2-CD2 3.72Å; Y105-F179 HydrophobicContact CD2-CD2 3.72Å; Y105-F179 HydrophobicContact CD2-CG 4.19Å; Y105-F179 HydrophobicContact CE2-CB 3.89Å; Y105-F179 HydrophobicContact CE2-CD2 4.12Å; Y105-L180 HydrophobicContact CE1-CD2 4.43Å; Y105-I183 HydrophobicContact CD1-CD1 3.72Å; Y105-I183 HydrophobicContact CE1-CD1 4.06Å; Y105-I183 HydrophobicContact CG-CD1 4.02Å
106	E	93.8	Very high	92.1	Very high	85 Å²	85	69.8 Å²	69.8	40%	0.397	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-39.8	173.9	-77	174.5	170.6	0	0	111.4	R102 F109 P110 F114	R102-E106 VanDerWaalsContact CD-OE1 3.28Å; R102-E106 WeakPolarHBondContact CD-OE1 3.4Å; R102-E106 VanDerWaalsContact CG-CD 3.43Å; R102-E106 HydrophobicContact CG-CG 4.02Å; R102-E106 VanDerWaalsContact CG-OE1 3.29Å; R102-E106 WeakPolarHBondContact CG-OE1 3.06Å; R102-E106 IonicContact NE-OE1 2.72Å; R102-E106 WeakPolarHBondContact O-CG 3.39Å; R102-E106 PolarHBondContact O-N 3.03Å; E106-F109 CarbonylContact O-C 3.42Å; E106-P110 WeakPolarHBondContact O-CA 3.48Å; E106-F114 HydrophobicContact CB-CD2 4.48Å; E106-F114 HydrophobicContact CG-CB 4.35Å; E106-F114 HydrophobicContact CG-CD2 3.54Å; E106-F114 HydrophobicContact CG-CE2 4.19Å; E106-F114 HydrophobicContact CG-CG 4.27Å
107	K	92.8	Very high	91.7	Very high	180 Å²	180	67.9 Å²	67.9	78%	0.783	36%	0.361	S	S	*	.	H	α-helix	trans	-66.8	-40	175.6	-177	179.1	176.4	-176.5	0	112.7	G103 N104 Y105	G103-K107 WeakPolarHBondContact O-CB 3.4Å; G103-K107 PolarHBondContact O-N 3.3Å; G103-K107 VanDerWaalsContact O-N 3.09Å; N104-K107 PolarHBondContact O-N 3.3Å; Y105-K107 VanDerWaalsContact C-N 3.28Å; Y105-K107 PolarHBondContact O-N 3.27Å
108	Q	91.3	Very high	91.2	Very high	96 Å²	96	73.1 Å²	73.1	45%	0.449	38%	0.384	S	S	.	.	H	α-helix	trans	-77.5	-30.4	179.9	-69.7	-178.8	27.9	0	0	112.7	N104 Y105	N104-Q108 WeakPolarHBondContact O-CG 3.46Å; N104-Q108 PolarHBondContact O-N 3.48Å; N104-Q108 VanDerWaalsContact O-N 3.1Å; Y105-Q108 PolarHBondContact O-N 2.94Å
109	F	91.6	Very high	90.9	Very high	31 Å²	31	76 Å²	76	14%	0.136	40%	0.399	C	S	.	.			trans	-131.8	66.6	-173.9	-60.4	-78.9	0	0	0	111.2	L26 Y105 E106 D111 V112 F114 I183 I187	L26-F109 HydrophobicContact CB-CE2 4.26Å; L26-F109 HydrophobicContact CB-CZ 3.62Å; L26-F109 HydrophobicContact CD1-CE2 4.43Å; L26-F109 WeakPolarHBondContact O-CZ 3.21Å; Y105-F109 HydrophobicContact CD1-CD2 4.28Å; Y105-F109 HydrophobicContact CD1-CE2 4.3Å; Y105-F109 WeakPolarHBondContact O-CA 3.44Å; Y105-F109 WeakPolarHBondContact O-CB 3.38Å; Y105-F109 PolarHBondContact O-N 3.36Å; E106-F109 CarbonylContact O-C 3.42Å; F109-D111 PolarHBondContact O-N 2.86Å; F109-D111 VanDerWaalsContact O-N 3.12Å; F109-V112 HydrophobicContact CB-CB 3.94Å; F109-V112 HydrophobicContact CB-CG2 3.62Å; F109-V112 HydrophobicContact CG-CG2 4.36Å; F109-V112 WeakPolarHBondContact O-CB 3.06Å; F109-V112 PolarHBondContact O-N 3.49Å; F109-F114 HydrophobicContact CB-CE2 4.28Å; F109-F114 HydrophobicContact CB-CZ 4.32Å; F109-I183 HydrophobicContact CD1-CG2 3.92Å; F109-I183 HydrophobicContact CD2-CD1 3.64Å; F109-I183 HydrophobicContact CD2-CG1 3.98Å; F109-I183 HydrophobicContact CD2-CG2 4.36Å; F109-I183 HydrophobicContact CE1-CG2 3.78Å; F109-I183 HydrophobicContact CE2-CD1 3.85Å; F109-I183 HydrophobicContact CE2-CG1 4.45Å; F109-I183 HydrophobicContact CE2-CG2 4.25Å; F109-I183 HydrophobicContact CG-CD1 4.27Å; F109-I183 HydrophobicContact CG-CG1 4.1Å; F109-I183 HydrophobicContact CG-CG2 4.22Å; F109-I183 HydrophobicContact CZ-CG2 3.98Å; F109-I187 HydrophobicContact CE1-CD1 4.42Å
110	P	91.6	Very high	90.5	Very high	100 Å²	100	71.6 Å²	71.6	65%	0.649	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.5	-174.4	25.4	-35.5	0	0	0	113.7	E106 V112	E106-P110 WeakPolarHBondContact O-CA 3.48Å; P110-V112 VanDerWaalsContact C-N 3.3Å
111	D	90.4	Very high	90.4	Very high	161 Å²	161	71.6 Å²	71.6	86%	0.861	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.4	177.3	-58.9	-43.8	0	0	0	113.3	F109	F109-D111 PolarHBondContact O-N 2.86Å; F109-D111 VanDerWaalsContact O-N 3.12Å
112	V	91.5	Very high	90.4	Very high	16 Å²	16	74.4 Å²	74.4	10%	0.097	39%	0.387	C	S	.	.	S	Bend	trans	-91.6	123.6	177.4	179.1	0	0	0	0	109.2	F109 P110 F114 K182 I183 A186	F109-V112 HydrophobicContact CB-CB 3.94Å; F109-V112 HydrophobicContact CB-CG2 3.62Å; F109-V112 HydrophobicContact CG-CG2 4.36Å; F109-V112 WeakPolarHBondContact O-CB 3.06Å; F109-V112 PolarHBondContact O-N 3.49Å; P110-V112 VanDerWaalsContact C-N 3.3Å; V112-F114 HydrophobicContact CB-CD2 4.22Å; V112-F114 HydrophobicContact CB-CE2 3.55Å; V112-F114 HydrophobicContact CB-CZ 3.74Å; V112-F114 HydrophobicContact CG1-CD1 4.22Å; V112-F114 HydrophobicContact CG1-CD2 4.03Å; V112-F114 HydrophobicContact CG1-CE1 3.75Å; V112-F114 HydrophobicContact CG1-CE2 3.57Å; V112-F114 HydrophobicContact CG1-CG 4.34Å; V112-F114 HydrophobicContact CG1-CZ 3.4Å; V112-F114 VanDerWaalsContact O-CD2 3.23Å; V112-F114 WeakPolarHBondContact O-CD2 3.48Å; V112-F114 PolarHBondContact O-N 3.13Å; V112-K182 HydrophobicContact CG1-CB 4.07Å; V112-I183 HydrophobicContact CG1-CG1 4.27Å; V112-I183 HydrophobicContact CG2-CG1 4.31Å; V112-A186 HydrophobicContact CG2-CB 3.58Å
113	N	90.4	Very high	90.4	Very high	102 Å²	102	72.5 Å²	72.5	55%	0.545	38%	0.38	S	S	.	.			trans	-81.5	109.4	173.5	-176.9	-1.3	0	0	0	111.1	N115	N113-N115 VanDerWaalsContact C-N 3.34Å; N113-N115 VanDerWaalsContact ND2-CG 3.29Å; N113-N115 PolarHBondContact ND2-ND2 3.22Å; N113-N115 PolarHBondContact ND2-OD1 3.39Å; N113-N115 PolarHBondContact OD1-N 2.99Å; N113-N115 PolarHBondContact OD1-OD1 3.21Å
114	F	89.4	Confident	90.5	Very high	5 Å²	5	75.3 Å²	75.3	2%	0.022	38%	0.383	C	S	.	.			trans	-94.6	33.5	175.9	-62.8	-82.6	0	0	0	113.7	R102 Y105 E106 F109 V112 S116 F179 K182 I183	R102-F114 PolarHBondContact NH2-O 3.05Å; Y105-F114 HydrophobicContact CG-CZ 4.46Å; E106-F114 HydrophobicContact CB-CD2 4.48Å; E106-F114 HydrophobicContact CG-CB 4.35Å; E106-F114 HydrophobicContact CG-CD2 3.54Å; E106-F114 HydrophobicContact CG-CE2 4.19Å; E106-F114 HydrophobicContact CG-CG 4.27Å; F109-F114 HydrophobicContact CB-CE2 4.28Å; F109-F114 HydrophobicContact CB-CZ 4.32Å; V112-F114 HydrophobicContact CB-CD2 4.22Å; V112-F114 HydrophobicContact CB-CE2 3.55Å; V112-F114 HydrophobicContact CB-CZ 3.74Å; V112-F114 HydrophobicContact CG1-CD1 4.22Å; V112-F114 HydrophobicContact CG1-CD2 4.03Å; V112-F114 HydrophobicContact CG1-CE1 3.75Å; V112-F114 HydrophobicContact CG1-CE2 3.57Å; V112-F114 HydrophobicContact CG1-CG 4.34Å; V112-F114 HydrophobicContact CG1-CZ 3.4Å; V112-F114 VanDerWaalsContact O-CD2 3.23Å; V112-F114 WeakPolarHBondContact O-CD2 3.48Å; V112-F114 PolarHBondContact O-N 3.13Å; F114-S116 PolarHBondContact O-N 3.03Å; F114-F179 HydrophobicContact CD1-CB 4.18Å; F114-F179 AromaticContact CD1-CD1 3.83Å; F114-F179 HydrophobicContact CD1-CD1 3.83Å; F114-F179 HydrophobicContact CD1-CE1 4.37Å; F114-F179 AromaticContact CD1-CG 4Å; F114-F179 HydrophobicContact CD1-CG 4Å; F114-F179 HydrophobicContact CE1-CB 3.95Å; F114-F179 HydrophobicContact CE1-CD1 4.47Å; F114-F179 HydrophobicContact CE1-CG 4.24Å; F114-K182 HydrophobicContact CD1-CD 4.44Å; F114-I183 HydrophobicContact CE1-CD1 4.11Å; F114-I183 HydrophobicContact CE1-CG1 3.91Å; F114-I183 HydrophobicContact CZ-CD1 3.91Å; F114-I183 HydrophobicContact CZ-CG1 3.63Å
115	N	85.5	Confident	90.5	Very high	106 Å²	106	76.2 Å²	76.2	57%	0.567	38%	0.384	S	S	*	.			trans	-38.2	136.5	172.4	-85	-9.6	0	0	0	112.5	N113 S117 K182	N113-N115 VanDerWaalsContact C-N 3.34Å; N113-N115 VanDerWaalsContact ND2-CG 3.29Å; N113-N115 PolarHBondContact ND2-ND2 3.22Å; N113-N115 PolarHBondContact ND2-OD1 3.39Å; N113-N115 PolarHBondContact OD1-N 2.99Å; N113-N115 PolarHBondContact OD1-OD1 3.21Å; N115-S117 PolarHBondContact O-N 3.44Å; N115-K182 PolarHBondContact O-NZ 3.23Å
116	S	81.3	Confident	90.6	Very high	57 Å²	57	77.2 Å²	77.2	40%	0.399	39%	0.39	S	S	.	.			trans	-49.7	126.3	179.3	-164.9	0	0	0	0	110.2	F114 E120 E121	F114-S116 PolarHBondContact O-N 3.03Å; S116-E120 WeakPolarHBondContact CA-OE2 3.35Å; S116-E121 WeakPolarHBondContact OG-CG 3.44Å
117	S	87.7	Confident	90.7	Very high	17 Å²	17	73.6 Å²	73.6	12%	0.119	38%	0.375	C	S	.	.			trans	-91.4	160.6	173	75.1	0	0	0	0	109.9	N115 L119 E120 E121 E178	N115-S117 PolarHBondContact O-N 3.44Å; S117-L119 PolarHBondContact O-N 3.46Å; S117-L119 PolarHBondContact OG-N 3.47Å; S117-E120 WeakPolarHBondContact O-CB 3.2Å; S117-E120 PolarHBondContact O-N 2.92Å; S117-E120 PolarHBondContact OG-N 3.02Å; S117-E121 PolarHBondContact O-N 2.98Å; S117-E178 WeakPolarHBondContact CB-OE1 3.47Å; S117-E178 VanDerWaalsContact CB-OE2 3.22Å; S117-E178 WeakPolarHBondContact CB-OE2 3.45Å; S117-E178 PolarHBondContact OG-OE1 2.95Å; S117-E178 PolarHBondContact OG-OE2 2.97Å
118	M	85.1	Confident	90.9	Very high	165 Å²	165	71 Å²	71	81%	0.813	37%	0.366	S	S	*	.	H	α-helix	trans	-56	-32.8	172.8	-174.7	-177.5	-179.9	0	0	111.7	H122	M118-H122 PolarHBondContact O-N 3.33Å; M118-H122 VanDerWaalsContact O-N 3.13Å
119	L	87.2	Confident	91.1	Very high	60 Å²	60	71.3 Å²	71.3	31%	0.314	37%	0.37	S	S	.	.	H	α-helix	trans	-67.7	-39	177.1	-179.6	60.5	0	0	0	111.5	S117 H122 F123 L174 I175	S117-L119 PolarHBondContact O-N 3.46Å; S117-L119 PolarHBondContact OG-N 3.47Å; L119-H122 WeakPolarHBondContact O-CB 3.44Å; L119-H122 PolarHBondContact O-N 3.34Å; L119-F123 HydrophobicContact CD1-CD2 4.39Å; L119-F123 HydrophobicContact CD1-CE2 3.64Å; L119-F123 HydrophobicContact CD1-CZ 4.13Å; L119-F123 HydrophobicContact CD2-CE2 4.37Å; L119-F123 HydrophobicContact CG-CD2 4.27Å; L119-F123 HydrophobicContact CG-CE2 3.71Å; L119-F123 WeakPolarHBondContact O-CD2 3.35Å; L119-F123 PolarHBondContact O-N 3.26Å; L119-L174 HydrophobicContact CD2-CB 4.2Å; L119-I175 HydrophobicContact CB-CD1 4.29Å; L119-I175 HydrophobicContact CD2-CD1 3.77Å; L119-I175 HydrophobicContact CD2-CG1 4.36Å; L119-I175 HydrophobicContact CG-CD1 3.77Å
120	E	88.3	Confident	91.3	Very high	3 Å²	3	70 Å²	70	1%	0.014	37%	0.365	C	S	.	.	H	α-helix	trans	-71.2	-42.4	177	-173.6	-169	148.6	0	0	113	W95 I98 R102 S116 S117 H122 F123 K124 I175	W95-E120 HydrophobicContact CH2-CG 4.07Å; W95-E120 HydrophobicContact CZ3-CG 3.56Å; I98-E120 HydrophobicContact CG2-CG 4.21Å; R102-E120 VanDerWaalsContact CZ-CD 3.5Å; R102-E120 IonicContact CZ-OE1 3.7Å; R102-E120 IonicContact CZ-OE2 2.86Å; R102-E120 IonicContact NH1-OE1 3.47Å; R102-E120 PolarHBondContact NH1-OE1 2.93Å; R102-E120 IonicContact NH1-OE2 3.93Å; R102-E120 IonicContact NH2-OE1 2.72Å; R102-E120 PolarHBondContact NH2-OE1 2.74Å; R102-E120 IonicContact NH2-OE2 2.83Å; R102-E120 PolarHBondContact NH2-OE2 3.22Å; S116-E120 WeakPolarHBondContact CA-OE2 3.35Å; S117-E120 WeakPolarHBondContact O-CB 3.2Å; S117-E120 PolarHBondContact O-N 2.92Å; S117-E120 PolarHBondContact OG-N 3.02Å; E120-H122 PolarHBondContact O-N 3.13Å; E120-F123 PolarHBondContact O-N 2.86Å; E120-K124 PolarHBondContact O-N 3.5Å; E120-I175 HydrophobicContact CB-CD1 4.29Å
121	E	92.6	Very high	91.5	Very high	98 Å²	98	72.6 Å²	72.6	46%	0.458	37%	0.368	S	S	.	.	H	α-helix	trans	-55.3	-41.3	173.6	-70.9	177.2	170.3	0	0	110.5	S116 S117 F123 K124 E125	S116-E121 WeakPolarHBondContact OG-CG 3.44Å; S117-E121 PolarHBondContact O-N 2.98Å; E121-F123 PolarHBondContact O-N 2.83Å; E121-K124 WeakPolarHBondContact O-CB 3.48Å; E121-K124 PolarHBondContact O-N 3.22Å; E121-E125 WeakPolarHBondContact O-CG 3.34Å; E121-E125 PolarHBondContact O-N 2.94Å
122	H	93.5	Very high	91.8	Very high	90 Å²	90	70.3 Å²	70.3	42%	0.417	36%	0.356	S	S	.	.	H	α-helix	trans	-59	-42.9	174.2	179.5	64.6	0	0	0	113.2	M118 L119 E120 N126	M118-H122 PolarHBondContact O-N 3.33Å; M118-H122 VanDerWaalsContact O-N 3.13Å; L119-H122 WeakPolarHBondContact O-CB 3.44Å; L119-H122 PolarHBondContact O-N 3.34Å; E120-H122 PolarHBondContact O-N 3.13Å; H122-N126 PolarHBondContact CD2-ND2 3.37Å; H122-N126 PolarHBondContact CE1-ND2 2.86Å; H122-N126 VanDerWaalsContact CE1-ND2 3.29Å; H122-N126 PolarHBondContact NE2-ND2 3.06Å; H122-N126 WeakPolarHBondContact O-CB 3.28Å; H122-N126 VanDerWaalsContact O-CG 3.25Å; H122-N126 PolarHBondContact O-N 3.33Å; H122-N126 PolarHBondContact O-ND2 3.38Å
123	F	94	Very high	92.2	Very high	5 Å²	5	71.6 Å²	71.6	2%	0.022	36%	0.364	C	S	.	.	H	α-helix	trans	-68.4	-38	177.6	-73	-59.4	0	0	0	112.6	T94 W95 I98 L119 E120 E121 N126 A127 D171 I175	T94-F123 HydrophobicContact CG2-CD1 3.84Å; T94-F123 HydrophobicContact CG2-CE1 4.06Å; T94-F123 HydrophobicContact CG2-CG 4.31Å; W95-F123 HydrophobicContact CE3-CB 4.14Å; I98-F123 HydrophobicContact CD1-CB 3.85Å; I98-F123 HydrophobicContact CD1-CD1 4.46Å; I98-F123 HydrophobicContact CD1-CD2 3.52Å; I98-F123 HydrophobicContact CD1-CE2 4.19Å; I98-F123 HydrophobicContact CD1-CG 3.69Å; L119-F123 HydrophobicContact CD1-CD2 4.39Å; L119-F123 HydrophobicContact CD1-CE2 3.64Å; L119-F123 HydrophobicContact CD1-CZ 4.13Å; L119-F123 HydrophobicContact CD2-CE2 4.37Å; L119-F123 HydrophobicContact CG-CD2 4.27Å; L119-F123 HydrophobicContact CG-CE2 3.71Å; L119-F123 WeakPolarHBondContact O-CD2 3.35Å; L119-F123 PolarHBondContact O-N 3.26Å; E120-F123 PolarHBondContact O-N 2.86Å; E121-F123 PolarHBondContact O-N 2.83Å; F123-N126 PolarHBondContact O-N 3.11Å; F123-A127 WeakPolarHBondContact O-CB 3.3Å; F123-A127 PolarHBondContact O-N 2.82Å; F123-D171 HydrophobicContact CE1-CB 3.57Å; F123-D171 VanDerWaalsContact CE1-CG 3.42Å; F123-D171 WeakPolarHBondContact CE1-OD2 3.39Å; F123-D171 HydrophobicContact CE2-CB 4.4Å; F123-D171 HydrophobicContact CZ-CB 3.43Å; F123-D171 VanDerWaalsContact CZ-CB 3.43Å; F123-I175 HydrophobicContact CD2-CD1 4.09Å; F123-I175 HydrophobicContact CD2-CG1 4.04Å; F123-I175 HydrophobicContact CE2-CD1 4.11Å; F123-I175 HydrophobicContact CE2-CG1 3.86Å
124	K	94.9	Very high	92.5	Very high	94 Å²	94	68.7 Å²	68.7	41%	0.409	35%	0.347	S	S	.	.	H	α-helix	trans	-60.4	-50.5	174.1	-176.6	-175.9	171	-167	0	111.3	W95 E120 E121 N126 A127 E128	W95-K124 HydrophobicContact CD2-CB 4.2Å; W95-K124 HydrophobicContact CE3-CB 4.14Å; W95-K124 HydrophobicContact CH2-CB 3.82Å; W95-K124 HydrophobicContact CH2-CD 4.36Å; W95-K124 HydrophobicContact CH2-CG 4.19Å; W95-K124 HydrophobicContact CZ2-CB 3.86Å; W95-K124 HydrophobicContact CZ2-CD 4.07Å; W95-K124 HydrophobicContact CZ2-CG 3.77Å; W95-K124 HydrophobicContact CZ3-CB 3.97Å; E120-K124 PolarHBondContact O-N 3.5Å; E121-K124 WeakPolarHBondContact O-CB 3.48Å; E121-K124 PolarHBondContact O-N 3.22Å; K124-N126 VanDerWaalsContact C-N 3.34Å; K124-N126 PolarHBondContact O-N 2.83Å; K124-A127 PolarHBondContact O-N 2.72Å; K124-A127 VanDerWaalsContact O-N 3.14Å; K124-E128 WeakPolarHBondContact CE-OE1 3.12Å; K124-E128 IonicContact NZ-OE1 2.93Å; K124-E128 WeakPolarHBondContact O-CG 3.41Å; K124-E128 PolarHBondContact O-N 3.42Å
125	E	95.4	Very high	92.9	Very high	111 Å²	111	72.6 Å²	72.6	52%	0.519	38%	0.375	S	S	.	.	H	α-helix	trans	-59	-44.7	178	-72.5	175.5	176.7	0	0	111.8	E121 A127 E128 L129	E121-E125 WeakPolarHBondContact O-CG 3.34Å; E121-E125 PolarHBondContact O-N 2.94Å; E125-A127 VanDerWaalsContact C-N 3.29Å; E125-A127 PolarHBondContact O-N 3.35Å; E125-E128 PolarHBondContact O-N 3.25Å; E125-L129 WeakPolarHBondContact O-CG 3.43Å; E125-L129 PolarHBondContact O-N 3.3Å; E125-L129 VanDerWaalsContact O-N 3.13Å
126	N	94.6	Very high	93.5	Very high	39 Å²	39	73.2 Å²	73.2	21%	0.209	38%	0.375	C	S	.	.	H	α-helix	trans	-61.3	-37.7	176.5	-75	-25.8	0	0	0	112.5	H122 F123 K124 S130	H122-N126 PolarHBondContact CD2-ND2 3.37Å; H122-N126 PolarHBondContact CE1-ND2 2.86Å; H122-N126 VanDerWaalsContact CE1-ND2 3.29Å; H122-N126 PolarHBondContact NE2-ND2 3.06Å; H122-N126 WeakPolarHBondContact O-CB 3.28Å; H122-N126 VanDerWaalsContact O-CG 3.25Å; H122-N126 PolarHBondContact O-N 3.33Å; H122-N126 PolarHBondContact O-ND2 3.38Å; F123-N126 PolarHBondContact O-N 3.11Å; K124-N126 VanDerWaalsContact C-N 3.34Å; K124-N126 PolarHBondContact O-N 2.83Å; N126-S130 PolarHBondContact O-N 2.82Å
127	A	96	Very high	94.2	Very high	9 Å²	9	73.1 Å²	73.1	7%	0.074	37%	0.366	C	S	.	.	H	α-helix	trans	-71	-41	177.2	0	0	0	0	0	112	W95 F123 K124 E125 L129 S130	W95-A127 HydrophobicContact CB-CB 3.46Å; W95-A127 VanDerWaalsContact CB-CB 3.46Å; W95-A127 HydrophobicContact CG-CB 3.7Å; F123-A127 WeakPolarHBondContact O-CB 3.3Å; F123-A127 PolarHBondContact O-N 2.82Å; K124-A127 PolarHBondContact O-N 2.72Å; K124-A127 VanDerWaalsContact O-N 3.14Å; E125-A127 VanDerWaalsContact C-N 3.29Å; E125-A127 PolarHBondContact O-N 3.35Å; A127-L129 PolarHBondContact O-N 3.47Å; A127-S130 VanDerWaalsContact O-CB 3.27Å; A127-S130 WeakPolarHBondContact O-CB 3.4Å; A127-S130 PolarHBondContact O-N 3.23Å; A127-S130 PolarHBondContact O-OG 3.29Å
128	E	96.3	Very high	94.7	Very high	126 Å²	126	73.6 Å²	73.6	59%	0.589	37%	0.369	S	S	*	.	H	α-helix	trans	-60.9	-34	175.9	-73	176.1	173.9	0	0	112.3	K124 E125	K124-E128 WeakPolarHBondContact CE-OE1 3.12Å; K124-E128 IonicContact NZ-OE1 2.93Å; K124-E128 WeakPolarHBondContact O-CG 3.41Å; K124-E128 PolarHBondContact O-N 3.42Å; E125-E128 PolarHBondContact O-N 3.25Å
129	L	95.9	Very high	95.3	Very high	103 Å²	103	68.1 Å²	68.1	54%	0.539	34%	0.343	S	S	.	.	H	α-helix	trans	-81.1	-15.5	176.3	-64.5	174.1	0	0	0	113.5	E125 A127 E131 N132 V133	E125-L129 WeakPolarHBondContact O-CG 3.43Å; E125-L129 PolarHBondContact O-N 3.3Å; E125-L129 VanDerWaalsContact O-N 3.13Å; A127-L129 PolarHBondContact O-N 3.47Å; L129-E131 PolarHBondContact O-N 3.44Å; L129-N132 PolarHBondContact O-N 3.13Å; L129-V133 WeakPolarHBondContact O-CG2 3.31Å; L129-V133 PolarHBondContact O-N 3.33Å; L129-V133 VanDerWaalsContact O-N 3.16Å
130	S	96.5	Very high	95.7	Very high	4 Å²	4	70.9 Å²	70.9	3%	0.028	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-40.9	-167.3	67.7	0	0	0	0	113.4	A88 N126 A127 N132 V133 M134	A88-S130 VanDerWaalsContact O-CB 3.26Å; A88-S130 WeakPolarHBondContact O-CB 3.45Å; N126-S130 PolarHBondContact O-N 2.82Å; A127-S130 VanDerWaalsContact O-CB 3.27Å; A127-S130 WeakPolarHBondContact O-CB 3.4Å; A127-S130 PolarHBondContact O-N 3.23Å; A127-S130 PolarHBondContact O-OG 3.29Å; S130-N132 PolarHBondContact O-N 3.38Å; S130-V133 PolarHBondContact O-N 3.18Å; S130-M134 WeakPolarHBondContact O-CB 3.23Å; S130-M134 VanDerWaalsContact O-CG 3.26Å; S130-M134 WeakPolarHBondContact O-CG 3.36Å; S130-M134 PolarHBondContact O-N 2.96Å
131	E	95.3	Very high	96.2	Very high	153 Å²	153	73.8 Å²	73.8	72%	0.715	37%	0.37	S	S	*	.	H	α-helix	trans	-61	-45.2	-178.3	-174	175.1	-171.8	0	0	111.6	L129 M134 S135	L129-E131 PolarHBondContact O-N 3.44Å; E131-M134 PolarHBondContact O-N 3.29Å; E131-S135 WeakPolarHBondContact O-CB 3.38Å; E131-S135 PolarHBondContact O-N 3.25Å
132	N	97.3	Very high	96.4	Very high	114 Å²	114	69.1 Å²	69.1	61%	0.61	35%	0.348	S	S	*	.	H	α-helix	trans	-64.1	-43.5	176.8	-71.5	-32.9	0	0	0	111.6	L129 S130 S135 Q136	L129-N132 PolarHBondContact O-N 3.13Å; S130-N132 PolarHBondContact O-N 3.38Å; N132-S135 PolarHBondContact O-N 3.37Å; N132-Q136 WeakPolarHBondContact O-CB 3.38Å; N132-Q136 PolarHBondContact O-N 3.18Å
133	V	98	Very high	96.5	Very high	42 Å²	42	67.6 Å²	67.6	26%	0.255	34%	0.343	S	S	.	.	H	α-helix	trans	-64.5	-43.3	178.2	176.1	0	0	0	0	110.7	K84 A88 L129 S130 S135 Q136 Y137	K84-V133 HydrophobicContact CB-CG1 4.42Å; A88-V133 HydrophobicContact CB-CB 3.8Å; A88-V133 HydrophobicContact CB-CG1 3.61Å; L129-V133 WeakPolarHBondContact O-CG2 3.31Å; L129-V133 PolarHBondContact O-N 3.33Å; L129-V133 VanDerWaalsContact O-N 3.16Å; S130-V133 PolarHBondContact O-N 3.18Å; V133-S135 VanDerWaalsContact C-N 3.33Å; V133-S135 PolarHBondContact O-N 3.07Å; V133-Q136 PolarHBondContact O-N 3.5Å; V133-Y137 HydrophobicContact CG1-CD2 3.8Å; V133-Y137 HydrophobicContact CG1-CE2 4.32Å; V133-Y137 WeakPolarHBondContact O-CB 3.4Å; V133-Y137 VanDerWaalsContact O-CD2 3.31Å; V133-Y137 WeakPolarHBondContact O-CD2 3.46Å; V133-Y137 PolarHBondContact O-N 3.38Å
134	M	97.8	Very high	96.6	Very high	41 Å²	41	75.2 Å²	75.2	20%	0.202	37%	0.372	C	S	.	.	H	α-helix	trans	-64.7	-36.7	177.5	-72.7	172.6	60.8	0	0	112.4	Y85 A88 Y89 S130 E131 Y137 S138	Y85-M134 HydrophobicContact CD2-CB 4.26Å; Y85-M134 HydrophobicContact CD2-CG 4.29Å; Y85-M134 HydrophobicContact CE2-CB 4.15Å; Y85-M134 HydrophobicContact CE2-CE 4.11Å; Y85-M134 HydrophobicContact CE2-CG 4.25Å; A88-M134 HydrophobicContact CB-CG 3.68Å; Y89-M134 HydrophobicContact CD2-CE 3.81Å; Y89-M134 HydrophobicContact CD2-SD 4.36Å; S130-M134 WeakPolarHBondContact O-CB 3.23Å; S130-M134 VanDerWaalsContact O-CG 3.26Å; S130-M134 WeakPolarHBondContact O-CG 3.36Å; S130-M134 PolarHBondContact O-N 2.96Å; E131-M134 PolarHBondContact O-N 3.29Å; M134-Y137 CarbonylContact O-C 3.46Å; M134-S138 WeakPolarHBondContact O-CA 3.4Å; M134-S138 PolarHBondContact O-N 2.92Å
135	S	97.3	Very high	96.7	Very high	88 Å²	88	73.3 Å²	73.3	62%	0.615	37%	0.366	S	S	*	.	H	α-helix	trans	-67.2	-47	174.7	-177.6	0	0	0	0	111.6	E131 N132 V133 S138	E131-S135 WeakPolarHBondContact O-CB 3.38Å; E131-S135 PolarHBondContact O-N 3.25Å; N132-S135 PolarHBondContact O-N 3.37Å; V133-S135 VanDerWaalsContact C-N 3.33Å; V133-S135 PolarHBondContact O-N 3.07Å; S135-S138 PolarHBondContact O-N 3.04Å
136	Q	97.4	Very high	96.6	Very high	119 Å²	119	68.7 Å²	68.7	56%	0.556	34%	0.344	S	S	*	.	H	α-helix	trans	-62.3	-46.5	178.6	-177.5	179.4	-3.5	0	0	112	N132 V133 N141	N132-Q136 WeakPolarHBondContact O-CB 3.38Å; N132-Q136 PolarHBondContact O-N 3.18Å; V133-Q136 PolarHBondContact O-N 3.5Å; Q136-N141 PolarHBondContact O-ND2 3.02Å
137	Y	97.8	Very high	96.4	Very high	54 Å²	54	71 Å²	71	21%	0.212	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	41.3	-178.7	-58.5	-76.8	0	0	0	111.3	K84 Y85 V133 M134 C142	K84-Y137 HydrophobicContact CB-CD1 4.28Å; K84-Y137 HydrophobicContact CB-CD2 3.79Å; K84-Y137 HydrophobicContact CB-CE2 4.26Å; K84-Y137 HydrophobicContact CB-CG 3.8Å; K84-Y137 HydrophobicContact CD-CD1 3.9Å; K84-Y137 HydrophobicContact CD-CD2 3.88Å; K84-Y137 HydrophobicContact CD-CE1 3.53Å; K84-Y137 HydrophobicContact CD-CE2 3.5Å; K84-Y137 VanDerWaalsContact CD-CE2 3.5Å; K84-Y137 HydrophobicContact CD-CG 4.06Å; K84-Y137 HydrophobicContact CG-CD2 4.47Å; K84-Y137 HydrophobicContact CG-CE2 4.46Å; K84-Y137 PolarHBondContact NZ-OH 2.89Å; K84-Y137 VanDerWaalsContact NZ-OH 3.14Å; Y85-Y137 WeakPolarHBondContact CB-O 3.46Å; Y85-Y137 WeakPolarHBondContact CD2-O 3.18Å; V133-Y137 HydrophobicContact CG1-CD2 3.8Å; V133-Y137 HydrophobicContact CG1-CE2 4.32Å; V133-Y137 WeakPolarHBondContact O-CB 3.4Å; V133-Y137 VanDerWaalsContact O-CD2 3.31Å; V133-Y137 WeakPolarHBondContact O-CD2 3.46Å; V133-Y137 PolarHBondContact O-N 3.38Å; M134-Y137 CarbonylContact O-C 3.46Å; Y137-C142 PolarHBondContact O-SG 3.16Å
138	S	97.6	Very high	96.2	Very high	27 Å²	27	75.5 Å²	75.5	19%	0.189	38%	0.377	C	S	.	.			trans	-56.4	150.4	-178.9	75	0	0	0	0	111.6	M134 S135 E140 N141 C142	M134-S138 WeakPolarHBondContact O-CA 3.4Å; M134-S138 PolarHBondContact O-N 2.92Å; S135-S138 PolarHBondContact O-N 3.04Å; S138-E140 PolarHBondContact O-N 3.22Å; S138-N141 WeakPolarHBondContact O-CA 3.27Å; S138-N141 WeakPolarHBondContact O-CB 3.44Å; S138-N141 PolarHBondContact O-N 3.31Å; S138-N141 WeakPolarHBondContact OG-CB 3.47Å; S138-N141 PolarHBondContact OG-N 2.61Å; S138-N141 VanDerWaalsContact OG-N 3.15Å; S138-N141 PolarHBondContact OG-ND2 3.14Å; S138-C142 PolarHBondContact O-N 2.87Å; S138-C142 PolarHBondContact O-SG 3.45Å
139	I	97.1	Very high	95.9	Very high	50 Å²	50	73.5 Å²	73.5	26%	0.256	37%	0.368	S	S	.	.	H	α-helix	trans	-51.8	-42	176.7	-68.9	-62.6	0	0	0	111.3	K82 Y85 F86 C142 D143	K82-I139 HydrophobicContact CD-CD1 3.79Å; Y85-I139 HydrophobicContact CD1-CD1 3.47Å; Y85-I139 VanDerWaalsContact CD1-CD1 3.47Å; Y85-I139 HydrophobicContact CD1-CG1 3.89Å; Y85-I139 HydrophobicContact CD2-CD1 4.44Å; Y85-I139 HydrophobicContact CD2-CG1 4.25Å; Y85-I139 HydrophobicContact CE1-CD1 3.65Å; Y85-I139 HydrophobicContact CE1-CG1 3.63Å; Y85-I139 HydrophobicContact CE2-CG1 4.01Å; Y85-I139 HydrophobicContact CG-CD1 3.9Å; Y85-I139 HydrophobicContact CG-CG1 4.19Å; F86-I139 HydrophobicContact CZ-CD1 4.29Å; I139-C142 PolarHBondContact O-N 3.05Å; I139-D143 WeakPolarHBondContact CG2-OD2 3.36Å; I139-D143 WeakPolarHBondContact O-CB 3.29Å; I139-D143 PolarHBondContact O-N 2.92Å
140	E	96.8	Very high	95.7	Very high	119 Å²	119	69.7 Å²	69.7	56%	0.556	35%	0.349	S	S	*	.	H	α-helix	trans	-61.5	-44.1	176.3	-173.1	-174.9	174.8	0	0	112.4	S138 C142 D143 R144	S138-E140 PolarHBondContact O-N 3.22Å; E140-C142 VanDerWaalsContact C-N 3.32Å; E140-C142 PolarHBondContact O-N 2.83Å; E140-D143 PolarHBondContact O-N 3.33Å; E140-R144 WeakPolarHBondContact O-CG 3.25Å; E140-R144 PolarHBondContact O-N 3.4Å; E140-R144 IonicContact OE1-CZ 3.52Å; E140-R144 IonicContact OE1-NE 3.06Å; E140-R144 IonicContact OE1-NH2 2.65Å; E140-R144 PolarHBondContact OE1-NH2 3.36Å
141	N	97.4	Very high	95.5	Very high	64 Å²	64	75.6 Å²	75.6	34%	0.342	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-40.6	176.4	-74	-14.8	0	0	0	111.3	Q136 S138	Q136-N141 PolarHBondContact O-ND2 3.02Å; S138-N141 WeakPolarHBondContact O-CA 3.27Å; S138-N141 WeakPolarHBondContact O-CB 3.44Å; S138-N141 PolarHBondContact O-N 3.31Å; S138-N141 WeakPolarHBondContact OG-CB 3.47Å; S138-N141 PolarHBondContact OG-N 2.61Å; S138-N141 VanDerWaalsContact OG-N 3.15Å; S138-N141 PolarHBondContact OG-ND2 3.14Å
142	C	97.7	Very high	95.4	Very high	0 Å²	0	71 Å²	71	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-65.2	-45.9	176.4	-54.8	0	0	0	0	111.3	Y78 C81 K82 Y137 S138 I139 E140 R144 L145	Y78-C142 HydrophobicContact CD2-CB 4.49Å; Y78-C142 WeakPolarHBondContact CD2-O 3.34Å; Y78-C142 HydrophobicContact CE2-CB 4.44Å; C81-C142 HydrophobicContact CB-CB 3.76Å; C81-C142 WeakPolarHBondContact CB-SG 3.31Å; C81-C142 WeakPolarHBondContact SG-CA 3.34Å; C81-C142 WeakPolarHBondContact SG-CB 3.24Å; C81-C142 CovalentContact SG-SG 2.04Å; C81-C142 PolarHBondContact SG-SG 3.3Å; K82-C142 HydrophobicContact CD-CB 4.01Å; K82-C142 HydrophobicContact CG-CB 4.14Å; Y137-C142 PolarHBondContact O-SG 3.16Å; S138-C142 PolarHBondContact O-N 2.87Å; S138-C142 PolarHBondContact O-SG 3.45Å; I139-C142 PolarHBondContact O-N 3.05Å; E140-C142 VanDerWaalsContact C-N 3.32Å; E140-C142 PolarHBondContact O-N 2.83Å; C142-R144 PolarHBondContact O-N 2.9Å; C142-R144 VanDerWaalsContact O-N 3.17Å; C142-L145 VanDerWaalsContact O-CB 3.22Å; C142-L145 WeakPolarHBondContact O-CB 3.2Å; C142-L145 WeakPolarHBondContact O-CG 3.26Å; C142-L145 PolarHBondContact O-N 2.87Å
143	D	96	Very high	95.3	Very high	58 Å²	58	65.6 Å²	65.6	31%	0.31	33%	0.331	S	S	.	.	H	α-helix	trans	-63.4	-24.1	-177.2	-69.9	-23.5	0	0	0	113.3	Y78 K82 I139 E140 L145 I146	Y78-D143 PolarHBondContact OH-OD1 3.24Å; K82-D143 VanDerWaalsContact CE-OD1 3.25Å; K82-D143 WeakPolarHBondContact CE-OD1 3.45Å; K82-D143 IonicContact NZ-OD1 2.88Å; K82-D143 PolarHBondContact NZ-OD1 3.39Å; K82-D143 IonicContact NZ-OD2 2.92Å; I139-D143 WeakPolarHBondContact CG2-OD2 3.36Å; I139-D143 WeakPolarHBondContact O-CB 3.29Å; I139-D143 PolarHBondContact O-N 2.92Å; E140-D143 PolarHBondContact O-N 3.33Å; D143-L145 PolarHBondContact O-N 2.92Å; D143-I146 VanDerWaalsContact O-O 3.1Å
144	R	95.7	Very high	95.2	Very high	165 Å²	165	70.6 Å²	70.6	62%	0.623	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.7	172.1	-69	168.4	-178	178.8	-0.2	114	E140 C142 I146	E140-R144 WeakPolarHBondContact O-CG 3.25Å; E140-R144 PolarHBondContact O-N 3.4Å; E140-R144 IonicContact OE1-CZ 3.52Å; E140-R144 IonicContact OE1-NE 3.06Å; E140-R144 IonicContact OE1-NH2 2.65Å; E140-R144 PolarHBondContact OE1-NH2 3.36Å; C142-R144 PolarHBondContact O-N 2.9Å; C142-R144 VanDerWaalsContact O-N 3.17Å; R144-I146 VanDerWaalsContact C-N 3.32Å
145	L	95.9	Very high	95.1	Very high	54 Å²	54	72 Å²	72	28%	0.283	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-23	-180	-63.1	169.9	0	0	0	112.3	N74 E77 Y78 C81 C142 D143	N74-L145 VanDerWaalsContact CB-O 3.25Å; N74-L145 WeakPolarHBondContact CB-O 3.45Å; N74-L145 PolarHBondContact ND2-O 3.44Å; E77-L145 HydrophobicContact CB-CD1 4.27Å; Y78-L145 HydrophobicContact CD2-CB 4.37Å; C81-L145 HydrophobicContact CB-CD1 3.81Å; C142-L145 VanDerWaalsContact O-CB 3.22Å; C142-L145 WeakPolarHBondContact O-CB 3.2Å; C142-L145 WeakPolarHBondContact O-CG 3.26Å; C142-L145 PolarHBondContact O-N 2.87Å; D143-L145 PolarHBondContact O-N 2.92Å
146	I	94.5	Very high	95.1	Very high	13 Å²	13	67.9 Å²	67.9	7%	0.067	32%	0.324	C	S	.	.	S	Bend	trans	-114.2	147.6	178	57.7	170.1	0	0	0	110.4	M72 I75 Y78 D143 R144 V153	M72-I146 HydrophobicContact SD-CB 4.23Å; M72-I146 HydrophobicContact SD-CG2 4.11Å; I75-I146 HydrophobicContact CD1-CG2 4.36Å; Y78-I146 HydrophobicContact CD1-CG2 4.46Å; Y78-I146 HydrophobicContact CD2-CB 4.49Å; Y78-I146 HydrophobicContact CD2-CD1 4.04Å; Y78-I146 HydrophobicContact CD2-CG1 3.94Å; Y78-I146 HydrophobicContact CD2-CG2 3.85Å; Y78-I146 HydrophobicContact CE1-CD1 4.24Å; Y78-I146 HydrophobicContact CE2-CD1 3.59Å; Y78-I146 HydrophobicContact CE2-CG1 3.81Å; Y78-I146 HydrophobicContact CE2-CG2 4.49Å; Y78-I146 HydrophobicContact CG-CG2 3.81Å; D143-I146 VanDerWaalsContact O-O 3.1Å; R144-I146 VanDerWaalsContact C-N 3.32Å; I146-V153 HydrophobicContact CD1-CG1 3.52Å; I146-V153 HydrophobicContact CD1-CG2 4.38Å
147	P	91.1	Very high	95	Very high	88 Å²	88	63.2 Å²	63.2	57%	0.571	30%	0.303	S	S	*	.	S	Bend	trans	-78.9	-22.6	-175.4	29.7	-35.4	0	0	0	114.1	G71	G71-P147 WeakPolarHBondContact O-CD 3.44Å; G71-P147 WeakPolarHBondContact O-CG 3.47Å
148	Y	90.3	Very high	95	Very high	103 Å²	103	65 Å²	65	40%	0.404	31%	0.313	S	S	.	.			trans	-159.3	149.9	-179.4	47.8	-95.9	0	0	0	111.8	H68 M72 T150	H68-Y148 PolarHBondContact ND1-OH 2.95Å; M72-Y148 HydrophobicContact CE-CD2 3.83Å; M72-Y148 HydrophobicContact CE-CE2 3.55Å; M72-Y148 WeakPolarHBondContact CE-O 3.39Å; Y148-T150 HydrophobicContact CD2-CG2 3.44Å; Y148-T150 VanDerWaalsContact CD2-CG2 3.44Å; Y148-T150 HydrophobicContact CE2-CG2 3.42Å; Y148-T150 VanDerWaalsContact CE2-CG2 3.42Å
149	Q	89.8	Confident	95	Very high	84 Å²	84	64.7 Å²	64.7	39%	0.393	31%	0.309	S	S	.	.			trans	-87.9	105.4	174.6	-94.7	-79	1.2	0	0	110.3	Y78 V153 D157	Y78-Q149 PolarHBondContact OH-NE2 2.91Å; Y78-Q149 VanDerWaalsContact OH-NE2 3.1Å; Q149-V153 VanDerWaalsContact OE1-CG1 3.29Å; Q149-D157 PolarHBondContact NE2-OD2 3.33Å
150	T	91.9	Very high	95.1	Very high	24 Å²	24	62.3 Å²	62.3	15%	0.147	30%	0.297	C	S	.	.			trans	-87.1	168.9	170.3	68	0	0	0	0	110.9	M72 Y148 D152 V153 R154	M72-T150 HydrophobicContact CE-CG2 4Å; Y148-T150 HydrophobicContact CD2-CG2 3.44Å; Y148-T150 VanDerWaalsContact CD2-CG2 3.44Å; Y148-T150 HydrophobicContact CE2-CG2 3.42Å; Y148-T150 VanDerWaalsContact CE2-CG2 3.42Å; T150-D152 PolarHBondContact O-N 3.32Å; T150-D152 PolarHBondContact OG1-N 3.23Å; T150-V153 PolarHBondContact O-N 3.41Å; T150-V153 WeakPolarHBondContact OG1-CG2 3.43Å; T150-V153 PolarHBondContact OG1-N 2.89Å; T150-R154 WeakPolarHBondContact O-CG 3.49Å; T150-R154 PolarHBondContact O-N 2.95Å
151	I	93.6	Very high	95.1	Very high	127 Å²	127	59 Å²	59	65%	0.651	28%	0.283	S	S	*	.	H	α-helix	trans	-57.7	-41.9	172	-65.3	172.1	0	0	0	110.5	V153 R154 L155	I151-V153 VanDerWaalsContact C-N 3.35Å; I151-V153 PolarHBondContact O-N 3.17Å; I151-R154 PolarHBondContact O-N 3.46Å; I151-L155 HydrophobicContact CG2-CD1 4.07Å; I151-L155 HydrophobicContact CG2-CG 4.4Å; I151-L155 WeakPolarHBondContact O-CG 3.36Å; I151-L155 PolarHBondContact O-N 3.06Å
152	D	92.9	Very high	95.1	Very high	58 Å²	58	59 Å²	59	31%	0.31	28%	0.281	S	S	.	.	H	α-helix	trans	-63.6	-39.4	179.4	-59.7	-39.9	0	0	0	112.2	I64 T150 L155 M156	I64-D152 HydrophobicContact CD1-CB 4.07Å; I64-D152 HydrophobicContact CG1-CB 3.66Å; T150-D152 PolarHBondContact O-N 3.32Å; T150-D152 PolarHBondContact OG1-N 3.23Å; D152-L155 PolarHBondContact O-N 3.44Å; D152-M156 WeakPolarHBondContact O-CB 3.16Å; D152-M156 PolarHBondContact O-N 3.44Å
153	V	94.9	Very high	95.1	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-43.3	175.4	174.7	0	0	0	0	110.8	I64 M72 Y78 I146 Q149 T150 I151 L155 M156 D157	I64-V153 HydrophobicContact CD1-CG2 4.1Å; M72-V153 HydrophobicContact CE-CG2 3.71Å; M72-V153 HydrophobicContact SD-CG2 4.39Å; Y78-V153 HydrophobicContact CE1-CG1 3.89Å; I146-V153 HydrophobicContact CD1-CG1 3.52Å; I146-V153 HydrophobicContact CD1-CG2 4.38Å; Q149-V153 VanDerWaalsContact OE1-CG1 3.29Å; T150-V153 PolarHBondContact O-N 3.41Å; T150-V153 WeakPolarHBondContact OG1-CG2 3.43Å; T150-V153 PolarHBondContact OG1-N 2.89Å; I151-V153 VanDerWaalsContact C-N 3.35Å; I151-V153 PolarHBondContact O-N 3.17Å; V153-L155 PolarHBondContact O-N 3.46Å; V153-M156 WeakPolarHBondContact O-CB 3.43Å; V153-M156 PolarHBondContact O-N 3Å; V153-M156 VanDerWaalsContact O-N 3.17Å; V153-D157 PolarHBondContact O-N 3.2Å
154	R	95.5	Very high	95.2	Very high	146 Å²	146	59.5 Å²	59.5	55%	0.551	28%	0.28	S	S	*	.	H	α-helix	trans	-61.1	-43.8	177	-67.5	176.7	57.2	-169.9	-5.5	112.3	T150 I151 M156 D157 E158	T150-R154 WeakPolarHBondContact O-CG 3.49Å; T150-R154 PolarHBondContact O-N 2.95Å; I151-R154 PolarHBondContact O-N 3.46Å; R154-M156 VanDerWaalsContact C-N 3.29Å; R154-M156 PolarHBondContact O-N 3.27Å; R154-D157 WeakPolarHBondContact O-CB 3.39Å; R154-D157 PolarHBondContact O-N 3Å; R154-E158 WeakPolarHBondContact O-CG 3.47Å; R154-E158 PolarHBondContact O-N 3.45Å
155	L	95.9	Very high	95.3	Very high	72 Å²	72	54.5 Å²	54.5	38%	0.377	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-37.1	176.2	-69.7	174.1	0	0	0	111.4	M60 I151 D152 V153 E158 N159	M60-L155 HydrophobicContact SD-CB 4.08Å; I151-L155 HydrophobicContact CG2-CD1 4.07Å; I151-L155 HydrophobicContact CG2-CG 4.4Å; I151-L155 WeakPolarHBondContact O-CG 3.36Å; I151-L155 PolarHBondContact O-N 3.06Å; D152-L155 PolarHBondContact O-N 3.44Å; V153-L155 PolarHBondContact O-N 3.46Å; L155-E158 PolarHBondContact O-N 3.44Å; L155-N159 PolarHBondContact O-N 2.98Å; L155-N159 PolarHBondContact O-ND2 2.92Å
156	M	96.4	Very high	95.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-43.5	174.2	-170.3	-179.7	66.1	0	0	111.4	I57 M60 R61 I64 I75 Y78 I79 D152 V153 R154 E158 N159 I160	I57-M156 HydrophobicContact CG2-CG 4.42Å; M60-M156 HydrophobicContact CB-CB 4.28Å; M60-M156 HydrophobicContact CB-CG 4.28Å; M60-M156 HydrophobicContact SD-CB 4.18Å; R61-M156 HydrophobicContact CB-SD 4.4Å; I64-M156 HydrophobicContact CD1-CB 4.41Å; I64-M156 HydrophobicContact CD1-CE 4.18Å; I64-M156 HydrophobicContact CD1-SD 3.91Å; I75-M156 HydrophobicContact CD1-CE 3.56Å; I75-M156 HydrophobicContact CD1-SD 4.47Å; I75-M156 HydrophobicContact CG1-CE 4.25Å; Y78-M156 HydrophobicContact CD1-CE 3.75Å; Y78-M156 HydrophobicContact CE1-CE 3.83Å; I79-M156 HydrophobicContact CD1-CE 4.11Å; I79-M156 HydrophobicContact CD1-SD 3.6Å; I79-M156 VanDerWaalsContact CD1-SD 3.6Å; I79-M156 HydrophobicContact CG1-CE 3.62Å; I79-M156 HydrophobicContact CG1-SD 3.67Å; D152-M156 WeakPolarHBondContact O-CB 3.16Å; D152-M156 PolarHBondContact O-N 3.44Å; V153-M156 WeakPolarHBondContact O-CB 3.43Å; V153-M156 PolarHBondContact O-N 3Å; V153-M156 VanDerWaalsContact O-N 3.17Å; R154-M156 VanDerWaalsContact C-N 3.29Å; R154-M156 PolarHBondContact O-N 3.27Å; M156-E158 VanDerWaalsContact C-N 3.34Å; M156-E158 PolarHBondContact O-N 2.87Å; M156-N159 PolarHBondContact O-N 3.11Å; M156-N159 VanDerWaalsContact O-N 3.16Å; M156-I160 HydrophobicContact CG-CD1 4.17Å; M156-I160 VanDerWaalsContact O-CG1 3.31Å; M156-I160 WeakPolarHBondContact O-CG1 3.45Å; M156-I160 PolarHBondContact O-N 3.48Å
157	D	97.1	Very high	95.4	Very high	22 Å²	22	52.7 Å²	52.7	12%	0.118	26%	0.258	C	S	.	.	H	α-helix	trans	-57.9	-45.1	174.6	-79	-22	0	0	0	112	Y78 K82 Q149 V153 R154 N159 I160 N161	Y78-D157 VanDerWaalsContact CE1-OD1 3.31Å; Y78-D157 WeakPolarHBondContact CE1-OD1 3.38Å; Y78-D157 VanDerWaalsContact OH-CG 3.31Å; Y78-D157 PolarHBondContact OH-OD1 3.36Å; Y78-D157 PolarHBondContact OH-OD2 3.49Å; K82-D157 IonicContact NZ-OD2 3.36Å; Q149-D157 PolarHBondContact NE2-OD2 3.33Å; V153-D157 PolarHBondContact O-N 3.2Å; R154-D157 WeakPolarHBondContact O-CB 3.39Å; R154-D157 PolarHBondContact O-N 3Å; D157-N159 VanDerWaalsContact C-N 3.32Å; D157-N159 PolarHBondContact O-N 2.73Å; D157-I160 PolarHBondContact O-N 3.19Å; D157-N161 WeakPolarHBondContact O-CB 3.41Å; D157-N161 PolarHBondContact O-N 2.93Å
158	E	96.9	Very high	95.7	Very high	92 Å²	92	49.5 Å²	49.5	43%	0.43	24%	0.235	S	C	.	.	H	α-helix	trans	-57.8	-45.1	175.1	-72.9	170.6	-170.2	0	0	111	R154 L155 M156 N161 E162	R154-E158 WeakPolarHBondContact O-CG 3.47Å; R154-E158 PolarHBondContact O-N 3.45Å; L155-E158 PolarHBondContact O-N 3.44Å; M156-E158 VanDerWaalsContact C-N 3.34Å; M156-E158 PolarHBondContact O-N 2.87Å; E158-N161 PolarHBondContact O-N 3.36Å; E158-E162 WeakPolarHBondContact O-CB 3.3Å; E158-E162 WeakPolarHBondContact O-CG 3.25Å; E158-E162 PolarHBondContact O-N 3.16Å
159	N	97.9	Very high	96	Very high	20 Å²	20	46.9 Å²	46.9	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-69.6	-35.1	178.9	-81.7	-96.5	0	0	0	113.3	R53 I57 M60 L155 M156 D157 K163	R53-N159 WeakPolarHBondContact CD-OD1 3.39Å; R53-N159 PolarHBondContact NE-OD1 2.88Å; I57-N159 HydrophobicContact CG1-CB 3.86Å; M60-N159 HydrophobicContact CE-CB 3.61Å; M60-N159 WeakPolarHBondContact CE-ND2 3.22Å; L155-N159 PolarHBondContact O-N 2.98Å; L155-N159 PolarHBondContact O-ND2 2.92Å; M156-N159 PolarHBondContact O-N 3.11Å; M156-N159 VanDerWaalsContact O-N 3.16Å; D157-N159 VanDerWaalsContact C-N 3.32Å; D157-N159 PolarHBondContact O-N 2.73Å; N159-K163 WeakPolarHBondContact O-CB 3.48Å; N159-K163 PolarHBondContact O-N 3.28Å
160	I	98.5	Very high	96.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-47.3	172.6	-65.7	166.5	0	0	0	109.5	I57 I79 K82 F86 M156 D157 K163 F164	I57-I160 HydrophobicContact CD1-CB 4.45Å; I57-I160 HydrophobicContact CD1-CG1 3.9Å; I57-I160 HydrophobicContact CG1-CG1 4.08Å; I57-I160 HydrophobicContact CG2-CG1 4.23Å; I79-I160 HydrophobicContact CB-CD1 4.44Å; I79-I160 HydrophobicContact CG1-CD1 4.27Å; I79-I160 HydrophobicContact CG2-CD1 4.16Å; K82-I160 HydrophobicContact CB-CD1 4.15Å; K82-I160 HydrophobicContact CB-CG2 4.25Å; F86-I160 HydrophobicContact CD2-CG2 3.76Å; F86-I160 HydrophobicContact CE2-CG2 4.38Å; M156-I160 HydrophobicContact CG-CD1 4.17Å; M156-I160 VanDerWaalsContact O-CG1 3.31Å; M156-I160 WeakPolarHBondContact O-CG1 3.45Å; M156-I160 PolarHBondContact O-N 3.48Å; D157-I160 PolarHBondContact O-N 3.19Å; I160-K163 WeakPolarHBondContact O-CB 3.47Å; I160-K163 PolarHBondContact O-N 2.98Å; I160-F164 HydrophobicContact CG2-CD2 4.22Å; I160-F164 HydrophobicContact CG2-CE2 4.1Å; I160-F164 VanDerWaalsContact O-CD2 3.25Å; I160-F164 WeakPolarHBondContact O-CD2 3.4Å; I160-F164 PolarHBondContact O-N 3.14Å
161	N	97.9	Very high	96.4	Very high	48 Å²	48	45 Å²	45	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-60.9	-48.9	177.7	-178.3	25.9	0	0	0	111.6	F86 R90 D157 E158 K163 F164 E165	F86-N161 HydrophobicContact CD1-CB 4.16Å; F86-N161 HydrophobicContact CD2-CB 4.35Å; F86-N161 HydrophobicContact CE1-CB 3.89Å; F86-N161 HydrophobicContact CE2-CB 4.07Å; F86-N161 HydrophobicContact CG-CB 4.4Å; F86-N161 HydrophobicContact CZ-CB 3.83Å; R90-N161 PolarHBondContact NH2-OD1 3.36Å; D157-N161 WeakPolarHBondContact O-CB 3.41Å; D157-N161 PolarHBondContact O-N 2.93Å; E158-N161 PolarHBondContact O-N 3.36Å; N161-K163 VanDerWaalsContact C-N 3.32Å; N161-K163 PolarHBondContact O-N 3.26Å; N161-F164 PolarHBondContact O-N 3.49Å; N161-F164 VanDerWaalsContact O-N 3.13Å; N161-E165 PolarHBondContact O-N 3.28Å
162	E	97.5	Very high	96.5	Very high	66 Å²	66	40 Å²	40	31%	0.308	19%	0.192	S	C	.	.	H	α-helix	trans	-59.5	-39.9	177.7	-77.1	-175.5	-166.9	0	0	112.4	R53 E158 F164 E165 I166	R53-E162 IonicContact CZ-OE2 2.75Å; R53-E162 IonicContact NE-OE2 2.81Å; R53-E162 PolarHBondContact NE-OE2 2.89Å; R53-E162 IonicContact NH2-OE2 3.36Å; R53-E162 PolarHBondContact NH2-OE2 3.4Å; E158-E162 WeakPolarHBondContact O-CB 3.3Å; E158-E162 WeakPolarHBondContact O-CG 3.25Å; E158-E162 PolarHBondContact O-N 3.16Å; E162-F164 VanDerWaalsContact C-N 3.28Å; E162-F164 PolarHBondContact O-N 3.2Å; E162-E165 PolarHBondContact O-N 2.88Å; E162-I166 WeakPolarHBondContact O-CB 3.25Å; E162-I166 WeakPolarHBondContact O-CD1 3.36Å; E162-I166 VanDerWaalsContact O-CG1 3.22Å; E162-I166 WeakPolarHBondContact O-CG1 3.41Å; E162-I166 PolarHBondContact O-N 2.92Å
163	K	98	Very high	96.7	Very high	40 Å²	40	37.7 Å²	37.7	17%	0.174	18%	0.18	C	C	.	.	H	α-helix	trans	-54.2	-45.8	174.5	171.6	-173.1	166.7	-173.9	0	111.5	F50 R53 V54 I57 N159 I160 N161 G167	F50-K163 HydrophobicContact CD2-CG 4.05Å; F50-K163 VanDerWaalsContact CD2-O 3.3Å; F50-K163 WeakPolarHBondContact CD2-O 3.33Å; F50-K163 HydrophobicContact CE2-CD 4.47Å; F50-K163 HydrophobicContact CE2-CG 3.55Å; F50-K163 VanDerWaalsContact CE2-O 3.28Å; F50-K163 WeakPolarHBondContact CE2-O 3.26Å; F50-K163 HydrophobicContact CZ-CD 4.36Å; F50-K163 HydrophobicContact CZ-CG 3.9Å; R53-K163 HydrophobicContact CB-CB 4.04Å; V54-K163 HydrophobicContact CG2-CD 3.95Å; V54-K163 HydrophobicContact CG2-CG 4.46Å; I57-K163 HydrophobicContact CD1-CB 4.14Å; I57-K163 HydrophobicContact CD1-CD 3.74Å; N159-K163 WeakPolarHBondContact O-CB 3.48Å; N159-K163 PolarHBondContact O-N 3.28Å; I160-K163 WeakPolarHBondContact O-CB 3.47Å; I160-K163 PolarHBondContact O-N 2.98Å; N161-K163 VanDerWaalsContact C-N 3.32Å; N161-K163 PolarHBondContact O-N 3.26Å; K163-G167 PolarHBondContact O-N 3.03Å
164	F	98.1	Very high	96.7	Very high	27 Å²	27	40.7 Å²	40.7	12%	0.118	20%	0.195	C	C	.	.	H	α-helix	trans	-78.7	-27.7	-179.3	-72.2	-72.4	0	0	0	112.8	S83 F86 K87 R90 I160 N161 E162 G167 K168	S83-F164 WeakPolarHBondContact O-CE2 3.41Å; S83-F164 WeakPolarHBondContact O-CZ 3.41Å; F86-F164 HydrophobicContact CB-CB 4.12Å; F86-F164 HydrophobicContact CB-CD2 3.67Å; F86-F164 HydrophobicContact CB-CE2 4.46Å; F86-F164 HydrophobicContact CB-CG 4.1Å; K87-F164 HydrophobicContact CB-CD1 3.79Å; K87-F164 HydrophobicContact CB-CE1 3.5Å; K87-F164 VanDerWaalsContact CB-CE1 3.5Å; K87-F164 HydrophobicContact CB-CZ 4.01Å; K87-F164 HydrophobicContact CD-CE1 4.25Å; K87-F164 HydrophobicContact CG-CD1 4.17Å; K87-F164 HydrophobicContact CG-CE1 3.85Å; R90-F164 HydrophobicContact CB-CB 4.44Å; R90-F164 HydrophobicContact CG-CB 3.78Å; I160-F164 HydrophobicContact CG2-CD2 4.22Å; I160-F164 HydrophobicContact CG2-CE2 4.1Å; I160-F164 VanDerWaalsContact O-CD2 3.25Å; I160-F164 WeakPolarHBondContact O-CD2 3.4Å; I160-F164 PolarHBondContact O-N 3.14Å; N161-F164 PolarHBondContact O-N 3.49Å; N161-F164 VanDerWaalsContact O-N 3.13Å; E162-F164 VanDerWaalsContact C-N 3.28Å; E162-F164 PolarHBondContact O-N 3.2Å; F164-G167 PolarHBondContact O-N 2.81Å; F164-K168 PolarHBondContact O-N 3.42Å
165	E	97	Very high	96.7	Very high	60 Å²	60	33.7 Å²	33.7	28%	0.28	17%	0.169	S	C	.	.	H	α-helix	trans	-61.8	-47.4	169.5	-176.3	65.4	172.6	0	0	111.3	R90 N161 E162 G167 K168 E169	R90-E165 WeakPolarHBondContact CD-OE2 3.31Å; R90-E165 IonicContact CZ-OE2 2.73Å; R90-E165 IonicContact NE-OE2 3.94Å; R90-E165 PolarHBondContact NE-OE2 3.39Å; R90-E165 IonicContact NH1-OE2 2.64Å; R90-E165 PolarHBondContact NH1-OE2 3.14Å; R90-E165 IonicContact NH2-OE2 3.66Å; R90-E165 PolarHBondContact NH2-OE2 2.99Å; N161-E165 PolarHBondContact O-N 3.28Å; E162-E165 PolarHBondContact O-N 2.88Å; E165-G167 PolarHBondContact O-N 3.39Å; E165-K168 VanDerWaalsContact CD-CE 3.45Å; E165-K168 WeakPolarHBondContact O-CB 3.12Å; E165-K168 PolarHBondContact O-N 3.44Å; E165-K168 WeakPolarHBondContact OE1-CE 3.47Å; E165-K168 IonicContact OE1-NZ 2.58Å; E165-K168 PolarHBondContact OE1-NZ 2.89Å; E165-K168 WeakPolarHBondContact OE2-CE 3.31Å; E165-K168 IonicContact OE2-NZ 3.75Å; E165-K168 PolarHBondContact OE2-NZ 3.35Å; E165-E169 WeakPolarHBondContact O-CB 3.23Å; E165-E169 WeakPolarHBondContact O-CG 3.39Å; E165-E169 PolarHBondContact O-N 2.89Å; E165-E169 VanDerWaalsContact O-N 3.08Å
166	I	96.9	Very high	96.7	Very high	17 Å²	17	31.7 Å²	31.7	9%	0.087	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-37.2	172.9	-68.8	167.6	0	0	0	110.9	V46 M49 F50 R53 E162 E169 I170	V46-I166 HydrophobicContact CG1-CB 4.42Å; V46-I166 HydrophobicContact CG1-CG2 3.45Å; V46-I166 VanDerWaalsContact CG1-CG2 3.45Å; V46-I166 WeakPolarHBondContact O-CG2 3.4Å; M49-I166 HydrophobicContact CB-CD1 4.08Å; M49-I166 HydrophobicContact CB-CG2 4.49Å; M49-I166 HydrophobicContact CE-CD1 4.31Å; F50-I166 HydrophobicContact CB-CG2 3.65Å; F50-I166 HydrophobicContact CD2-CB 4.49Å; F50-I166 HydrophobicContact CD2-CG2 4.05Å; F50-I166 HydrophobicContact CG-CG2 4.37Å; R53-I166 HydrophobicContact CG-CD1 3.88Å; E162-I166 WeakPolarHBondContact O-CB 3.25Å; E162-I166 WeakPolarHBondContact O-CD1 3.36Å; E162-I166 VanDerWaalsContact O-CG1 3.22Å; E162-I166 WeakPolarHBondContact O-CG1 3.41Å; E162-I166 PolarHBondContact O-N 2.92Å; I166-E169 WeakPolarHBondContact O-CB 3.05Å; I166-E169 PolarHBondContact O-N 3.31Å; I166-I170 HydrophobicContact CG2-CD1 4.35Å; I166-I170 WeakPolarHBondContact O-CG1 3.07Å; I166-I170 PolarHBondContact O-N 2.93Å
167	G	96.4	Very high	96.6	Very high	12 Å²	12	33.5 Å²	33.5	12%	0.124	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-50.2	174	0	0	0	0	0	113	K163 F164 E165 E169 I170 D171	K163-G167 PolarHBondContact O-N 3.03Å; F164-G167 PolarHBondContact O-N 2.81Å; E165-G167 PolarHBondContact O-N 3.39Å; G167-E169 PolarHBondContact O-N 3.01Å; G167-I170 WeakPolarHBondContact O-CB 3.07Å; G167-I170 PolarHBondContact O-N 3.39Å; G167-I170 VanDerWaalsContact O-N 3.14Å; G167-D171 PolarHBondContact O-N 2.76Å
168	K	96.1	Very high	96.5	Very high	22 Å²	22	34.6 Å²	34.6	10%	0.096	17%	0.17	C	C	.	.	H	α-helix	trans	-52.9	-46.6	174.2	165.7	-178.3	77	-179.3	0	111.3	R90 E93 T94 F164 E165 I170 D171 I172	R90-K168 HydrophobicContact CB-CB 4.26Å; E93-K168 HydrophobicContact CB-CD 3.91Å; E93-K168 IonicContact OE2-NZ 3.84Å; E93-K168 PolarHBondContact OE2-NZ 3.19Å; T94-K168 WeakPolarHBondContact OG1-CG 3.4Å; F164-K168 PolarHBondContact O-N 3.42Å; E165-K168 VanDerWaalsContact CD-CE 3.45Å; E165-K168 WeakPolarHBondContact O-CB 3.12Å; E165-K168 PolarHBondContact O-N 3.44Å; E165-K168 WeakPolarHBondContact OE1-CE 3.47Å; E165-K168 IonicContact OE1-NZ 2.58Å; E165-K168 PolarHBondContact OE1-NZ 2.89Å; E165-K168 WeakPolarHBondContact OE2-CE 3.31Å; E165-K168 IonicContact OE2-NZ 3.75Å; E165-K168 PolarHBondContact OE2-NZ 3.35Å; K168-I170 PolarHBondContact O-N 3.24Å; K168-D171 PolarHBondContact O-N 3.13Å; K168-I172 HydrophobicContact CD-CD1 4.17Å; K168-I172 HydrophobicContact CG-CD1 3.56Å; K168-I172 HydrophobicContact CG-CG1 4.32Å; K168-I172 WeakPolarHBondContact O-CG1 3.37Å; K168-I172 PolarHBondContact O-N 3.27Å
169	E	96.1	Very high	96.5	Very high	47 Å²	47	30.2 Å²	30.2	22%	0.22	15%	0.15	C	C	.	.	H	α-helix	trans	-56.6	-47.8	178.6	-84.5	-47.1	138.6	0	0	111.5	W42 V46 E165 I166 G167 D171 N173	W42-E169 HydrophobicContact CH2-CB 3.38Å; W42-E169 HydrophobicContact CH2-CG 4.16Å; W42-E169 WeakPolarHBondContact CH2-O 3.42Å; W42-E169 WeakPolarHBondContact CH2-OE2 3.32Å; W42-E169 HydrophobicContact CZ2-CB 3.93Å; W42-E169 HydrophobicContact CZ2-CG 4.29Å; W42-E169 WeakPolarHBondContact CZ2-OE2 3.49Å; W42-E169 HydrophobicContact CZ3-CB 4.39Å; W42-E169 WeakPolarHBondContact CZ3-O 3.37Å; V46-E169 HydrophobicContact CG1-CB 4.43Å; E165-E169 WeakPolarHBondContact O-CB 3.23Å; E165-E169 WeakPolarHBondContact O-CG 3.39Å; E165-E169 PolarHBondContact O-N 2.89Å; E165-E169 VanDerWaalsContact O-N 3.08Å; I166-E169 WeakPolarHBondContact O-CB 3.05Å; I166-E169 PolarHBondContact O-N 3.31Å; G167-E169 PolarHBondContact O-N 3.01Å; E169-D171 PolarHBondContact O-N 2.73Å; E169-N173 PolarHBondContact O-N 3.42Å; E169-N173 PolarHBondContact O-ND2 3.27Å
170	I	96.1	Very high	96.4	Very high	18 Å²	18	29.2 Å²	29.2	9%	0.092	14%	0.144	C	C	.	.	H	α-helix	trans	-59.1	-48.3	174.2	-67.2	164	0	0	0	110.9	I43 V46 K47 F50 I166 G167 K168 N173 L174	I43-I170 HydrophobicContact CG2-CG2 4.49Å; V46-I170 HydrophobicContact CB-CG1 4.2Å; V46-I170 HydrophobicContact CG1-CD1 4.05Å; V46-I170 HydrophobicContact CG1-CG1 3.6Å; K47-I170 HydrophobicContact CG-CD1 3.96Å; F50-I170 HydrophobicContact CB-CD1 4.23Å; I166-I170 HydrophobicContact CG2-CD1 4.35Å; I166-I170 WeakPolarHBondContact O-CG1 3.07Å; I166-I170 PolarHBondContact O-N 2.93Å; G167-I170 WeakPolarHBondContact O-CB 3.07Å; G167-I170 PolarHBondContact O-N 3.39Å; G167-I170 VanDerWaalsContact O-N 3.14Å; K168-I170 PolarHBondContact O-N 3.24Å; I170-N173 PolarHBondContact O-N 3.07Å; I170-L174 HydrophobicContact CG2-CD1 4Å; I170-L174 HydrophobicContact CG2-CG 4.38Å; I170-L174 WeakPolarHBondContact O-CG 3.34Å; I170-L174 PolarHBondContact O-N 2.64Å
171	D	95.6	Very high	96.2	Very high	52 Å²	52	31.2 Å²	31.2	28%	0.278	16%	0.158	S	C	.	.	H	α-helix	trans	-61.5	-46.7	-175.8	-72.3	-19.8	0	0	0	112.4	T94 F123 G167 K168 E169 N173 L174 I175	T94-D171 HydrophobicContact CG2-CB 3.87Å; F123-D171 HydrophobicContact CE1-CB 3.57Å; F123-D171 VanDerWaalsContact CE1-CG 3.42Å; F123-D171 WeakPolarHBondContact CE1-OD2 3.39Å; F123-D171 HydrophobicContact CE2-CB 4.4Å; F123-D171 HydrophobicContact CZ-CB 3.43Å; F123-D171 VanDerWaalsContact CZ-CB 3.43Å; G167-D171 PolarHBondContact O-N 2.76Å; K168-D171 PolarHBondContact O-N 3.13Å; E169-D171 PolarHBondContact O-N 2.73Å; D171-N173 VanDerWaalsContact C-N 3.3Å; D171-N173 PolarHBondContact O-N 2.72Å; D171-L174 PolarHBondContact O-N 2.94Å; D171-I175 PolarHBondContact O-N 3.27Å
172	I	95.6	Very high	96	Very high	20 Å²	20	31.3 Å²	31.3	10%	0.103	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-43.6	175.8	-69.5	164.8	0	0	0	110.5	T94 T97 K168 L174 I175 K176	T94-I172 HydrophobicContact CG2-CG1 4.28Å; T97-I172 HydrophobicContact CG2-CD1 3.71Å; T97-I172 HydrophobicContact CG2-CG1 4.14Å; T97-I172 HydrophobicContact CG2-CG2 4.22Å; K168-I172 HydrophobicContact CD-CD1 4.17Å; K168-I172 HydrophobicContact CG-CD1 3.56Å; K168-I172 HydrophobicContact CG-CG1 4.32Å; K168-I172 WeakPolarHBondContact O-CG1 3.37Å; K168-I172 PolarHBondContact O-N 3.27Å; I172-L174 PolarHBondContact O-N 3.42Å; I172-I175 PolarHBondContact O-N 3.32Å; I172-K176 WeakPolarHBondContact O-CB 3.48Å; I172-K176 PolarHBondContact O-N 3.43Å
173	N	95.9	Very high	95.9	Very high	11 Å²	11	28.2 Å²	28.2	6%	0.059	14%	0.142	C	C	.	.	H	α-helix	trans	-73.6	-26.8	-177.1	-82.5	-86.1	0	0	0	113.1	V39 W42 I43 E169 I170 D171 K176 H177	V39-N173 HydrophobicContact CG1-CB 4.01Å; V39-N173 VanDerWaalsContact CG1-O 3.27Å; V39-N173 WeakPolarHBondContact CG1-O 3.39Å; W42-N173 HydrophobicContact CE3-CB 3.88Å; W42-N173 HydrophobicContact CH2-CB 4.37Å; W42-N173 WeakPolarHBondContact CH2-ND2 3.31Å; W42-N173 HydrophobicContact CZ3-CB 3.57Å; W42-N173 WeakPolarHBondContact CZ3-ND2 3.25Å; I43-N173 HydrophobicContact CD1-CB 4.02Å; I43-N173 HydrophobicContact CG1-CB 3.75Å; E169-N173 PolarHBondContact O-N 3.42Å; E169-N173 PolarHBondContact O-ND2 3.27Å; I170-N173 PolarHBondContact O-N 3.07Å; D171-N173 VanDerWaalsContact C-N 3.3Å; D171-N173 PolarHBondContact O-N 2.72Å; N173-K176 PolarHBondContact O-N 3.23Å; N173-H177 WeakPolarHBondContact O-CB 3.42Å; N173-H177 PolarHBondContact O-N 2.89Å
174	L	95.6	Very high	95.7	Very high	62 Å²	62	27.7 Å²	27.7	33%	0.325	14%	0.141	S	C	.	.	H	α-helix	trans	-63.7	-44.3	169.3	-73.4	169.6	0	0	0	111.2	I43 L119 I170 D171 I172 H177 E178	I43-L174 HydrophobicContact CD1-CD2 4.06Å; I43-L174 HydrophobicContact CD1-CG 4.36Å; L119-L174 HydrophobicContact CD2-CB 4.2Å; I170-L174 HydrophobicContact CG2-CD1 4Å; I170-L174 HydrophobicContact CG2-CG 4.38Å; I170-L174 WeakPolarHBondContact O-CG 3.34Å; I170-L174 PolarHBondContact O-N 2.64Å; D171-L174 PolarHBondContact O-N 2.94Å; I172-L174 PolarHBondContact O-N 3.42Å; L174-H177 WeakPolarHBondContact O-CB 3.16Å; L174-H177 PolarHBondContact O-N 3.14Å; L174-E178 PolarHBondContact O-N 3.28Å; L174-E178 VanDerWaalsContact O-N 3.1Å
175	I	95	Very high	95.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.2	-43.7	175	-68	-70.1	0	0	0	111.2	I98 L101 L119 E120 F123 D171 I172 H177 E178 F179	I98-I175 HydrophobicContact CD1-CG1 3.76Å; I98-I175 HydrophobicContact CG1-CB 4.23Å; I98-I175 HydrophobicContact CG1-CG1 4.01Å; I98-I175 HydrophobicContact CG1-CG2 4.15Å; I98-I175 HydrophobicContact CG2-CG2 4.09Å; L101-I175 HydrophobicContact CD2-CG2 4.43Å; L119-I175 HydrophobicContact CB-CD1 4.29Å; L119-I175 HydrophobicContact CD2-CD1 3.77Å; L119-I175 HydrophobicContact CD2-CG1 4.36Å; L119-I175 HydrophobicContact CG-CD1 3.77Å; E120-I175 HydrophobicContact CB-CD1 4.29Å; F123-I175 HydrophobicContact CD2-CD1 4.09Å; F123-I175 HydrophobicContact CD2-CG1 4.04Å; F123-I175 HydrophobicContact CE2-CD1 4.11Å; F123-I175 HydrophobicContact CE2-CG1 3.86Å; D171-I175 PolarHBondContact O-N 3.27Å; I172-I175 PolarHBondContact O-N 3.32Å; I175-H177 VanDerWaalsContact C-N 3.27Å; I175-H177 PolarHBondContact O-N 3.22Å; I175-E178 WeakPolarHBondContact O-CB 3.42Å; I175-E178 PolarHBondContact O-N 3.37Å; I175-E178 VanDerWaalsContact O-N 3.07Å; I175-F179 HydrophobicContact CG2-CD1 4.42Å; I175-F179 HydrophobicContact CG2-CD2 3.82Å; I175-F179 HydrophobicContact CG2-CE1 4.05Å; I175-F179 HydrophobicContact CG2-CE2 3.41Å; I175-F179 VanDerWaalsContact CG2-CE2 3.41Å; I175-F179 HydrophobicContact CG2-CG 4.33Å; I175-F179 HydrophobicContact CG2-CZ 3.54Å; I175-F179 WeakPolarHBondContact O-CG 3.44Å; I175-F179 PolarHBondContact O-N 2.04Å
176	K	95.4	Very high	95.3	Very high	29 Å²	29	31.6 Å²	31.6	13%	0.126	16%	0.162	C	C	.	.	H	α-helix	trans	-55.5	-44.8	174.7	-168.8	-179.5	179.1	-172.7	0	111.1	E35 V39 L101 Y105 I172 N173 E178 F179 L180	E35-K176 WeakPolarHBondContact OE1-CE 3.37Å; E35-K176 IonicContact OE1-NZ 2.76Å; E35-K176 PolarHBondContact OE1-NZ 2.8Å; V39-K176 HydrophobicContact CG2-CD 3.87Å; V39-K176 HydrophobicContact CG2-CG 4.35Å; L101-K176 HydrophobicContact CD2-CB 3.88Å; L101-K176 HydrophobicContact CD2-CG 4.24Å; Y105-K176 HydrophobicContact CE2-CG 4.47Å; Y105-K176 WeakPolarHBondContact OH-CE 3.37Å; I172-K176 WeakPolarHBondContact O-CB 3.48Å; I172-K176 PolarHBondContact O-N 3.43Å; N173-K176 PolarHBondContact O-N 3.23Å; K176-E178 VanDerWaalsContact C-N 3.33Å; K176-E178 PolarHBondContact O-N 2.9Å; K176-F179 PolarHBondContact O-N 3.28Å; K176-L180 HydrophobicContact CG-CD1 4Å; K176-L180 HydrophobicContact CG-CG 4.43Å; K176-L180 WeakPolarHBondContact O-CB 3.46Å; K176-L180 WeakPolarHBondContact O-CG 3.14Å; K176-L180 PolarHBondContact O-N 3.45Å
177	H	95.5	Very high	94.9	Very high	39 Å²	39	32.1 Å²	32.1	18%	0.181	17%	0.165	C	C	.	.	H	α-helix	trans	-58.7	-43.5	175.8	177.7	-84.7	0	0	0	112.3	V39 R40 N173 L174 I175 S181	V39-H177 HydrophobicContact CG1-CB 3.98Å; R40-H177 PolarHBondContact NE-NE2 2.79Å; R40-H177 VanDerWaalsContact NE-NE2 3.17Å; R40-H177 PolarHBondContact NH2-NE2 3.03Å; R40-H177 VanDerWaalsContact NH2-NE2 3.17Å; N173-H177 WeakPolarHBondContact O-CB 3.42Å; N173-H177 PolarHBondContact O-N 2.89Å; L174-H177 WeakPolarHBondContact O-CB 3.16Å; L174-H177 PolarHBondContact O-N 3.14Å; I175-H177 VanDerWaalsContact C-N 3.27Å; I175-H177 PolarHBondContact O-N 3.22Å; H177-S181 PolarHBondContact CE1-OG 3.46Å; H177-S181 WeakPolarHBondContact O-CB 3.47Å; H177-S181 PolarHBondContact O-N 3.05Å; H177-S181 PolarHBondContact O-OG 2.92Å
178	E	95.2	Very high	94.6	Very high	44 Å²	44	34.4 Å²	34.4	21%	0.206	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-47.8	177.8	-162.4	-163.2	135.7	0	0	111.6	S117 L174 I175 K176 S181 K182	S117-E178 WeakPolarHBondContact CB-OE1 3.47Å; S117-E178 VanDerWaalsContact CB-OE2 3.22Å; S117-E178 WeakPolarHBondContact CB-OE2 3.45Å; S117-E178 PolarHBondContact OG-OE1 2.95Å; S117-E178 PolarHBondContact OG-OE2 2.97Å; L174-E178 PolarHBondContact O-N 3.28Å; L174-E178 VanDerWaalsContact O-N 3.1Å; I175-E178 WeakPolarHBondContact O-CB 3.42Å; I175-E178 PolarHBondContact O-N 3.37Å; I175-E178 VanDerWaalsContact O-N 3.07Å; K176-E178 VanDerWaalsContact C-N 3.33Å; K176-E178 PolarHBondContact O-N 2.9Å; E178-S181 WeakPolarHBondContact O-CB 3.25Å; E178-S181 PolarHBondContact O-N 2.87Å; E178-S181 VanDerWaalsContact O-N 3.15Å; E178-K182 PolarHBondContact O-N 3.36Å; E178-K182 WeakPolarHBondContact OE1-CE 3.19Å; E178-K182 IonicContact OE1-NZ 3.26Å; E178-K182 PolarHBondContact OE1-NZ 3.4Å
179	F	95.4	Very high	94.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-46.1	179	-69.6	-11.2	0	0	0	112.1	L101 R102 Y105 F114 I175 K176 S181 K182 I183	L101-F179 HydrophobicContact CD2-CD2 4.11Å; L101-F179 HydrophobicContact CD2-CE2 4.41Å; L101-F179 HydrophobicContact CG-CD2 4.15Å; L101-F179 HydrophobicContact CG-CE2 4.41Å; R102-F179 HydrophobicContact CB-CE2 3.93Å; R102-F179 HydrophobicContact CB-CZ 4.11Å; Y105-F179 HydrophobicContact CD2-CB 3.78Å; Y105-F179 AromaticContact CD2-CD2 3.72Å; Y105-F179 HydrophobicContact CD2-CD2 3.72Å; Y105-F179 HydrophobicContact CD2-CG 4.19Å; Y105-F179 HydrophobicContact CE2-CB 3.89Å; Y105-F179 HydrophobicContact CE2-CD2 4.12Å; F114-F179 HydrophobicContact CD1-CB 4.18Å; F114-F179 AromaticContact CD1-CD1 3.83Å; F114-F179 HydrophobicContact CD1-CD1 3.83Å; F114-F179 HydrophobicContact CD1-CE1 4.37Å; F114-F179 AromaticContact CD1-CG 4Å; F114-F179 HydrophobicContact CD1-CG 4Å; F114-F179 HydrophobicContact CE1-CB 3.95Å; F114-F179 HydrophobicContact CE1-CD1 4.47Å; F114-F179 HydrophobicContact CE1-CG 4.24Å; I175-F179 HydrophobicContact CG2-CD1 4.42Å; I175-F179 HydrophobicContact CG2-CD2 3.82Å; I175-F179 HydrophobicContact CG2-CE1 4.05Å; I175-F179 HydrophobicContact CG2-CE2 3.41Å; I175-F179 VanDerWaalsContact CG2-CE2 3.41Å; I175-F179 HydrophobicContact CG2-CG 4.33Å; I175-F179 HydrophobicContact CG2-CZ 3.54Å; I175-F179 WeakPolarHBondContact O-CG 3.44Å; I175-F179 PolarHBondContact O-N 2.04Å; K176-F179 PolarHBondContact O-N 3.28Å; F179-S181 PolarHBondContact O-N 3.37Å; F179-K182 WeakPolarHBondContact O-CB 3.22Å; F179-K182 PolarHBondContact O-N 2.95Å; F179-K182 VanDerWaalsContact O-N 3.13Å; F179-I183 WeakPolarHBondContact O-CG1 3Å; F179-I183 PolarHBondContact O-N 3.1Å
180	L	95.7	Very high	93.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-36.3	174.5	-69.4	168.4	0	0	0	112	L26 V32 E35 I36 V39 Y105 K176 I183 L184	L26-L180 HydrophobicContact CD1-CD2 3.53Å; V32-L180 HydrophobicContact CG1-CB 4.27Å; V32-L180 HydrophobicContact CG1-CD2 4.31Å; V32-L180 WeakPolarHBondContact CG1-O 3.5Å; E35-L180 HydrophobicContact CB-CD1 4.24Å; E35-L180 HydrophobicContact CB-CD2 4.49Å; E35-L180 HydrophobicContact CG-CD1 3.59Å; E35-L180 HydrophobicContact CG-CD2 4.07Å; I36-L180 HydrophobicContact CD1-CB 4Å; I36-L180 HydrophobicContact CG1-CB 3.55Å; I36-L180 HydrophobicContact CG1-CD1 4.14Å; I36-L180 HydrophobicContact CG1-CG 4.47Å; V39-L180 HydrophobicContact CG2-CD1 4.08Å; Y105-L180 HydrophobicContact CE1-CD2 4.43Å; K176-L180 HydrophobicContact CG-CD1 4Å; K176-L180 HydrophobicContact CG-CG 4.43Å; K176-L180 WeakPolarHBondContact O-CB 3.46Å; K176-L180 WeakPolarHBondContact O-CG 3.14Å; K176-L180 PolarHBondContact O-N 3.45Å; L180-I183 PolarHBondContact O-N 3.5Å; L180-L184 WeakPolarHBondContact O-CB 3Å; L180-L184 PolarHBondContact O-N 3.28Å
181	S	95.2	Very high	91.7	Very high	42 Å²	42	46.2 Å²	46.2	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-38.8	176.7	-60.5	0	0	0	0	112	H177 E178 F179 K185	H177-S181 PolarHBondContact CE1-OG 3.46Å; H177-S181 WeakPolarHBondContact O-CB 3.47Å; H177-S181 PolarHBondContact O-N 3.05Å; H177-S181 PolarHBondContact O-OG 2.92Å; E178-S181 WeakPolarHBondContact O-CB 3.25Å; E178-S181 PolarHBondContact O-N 2.87Å; E178-S181 VanDerWaalsContact O-N 3.15Å; F179-S181 PolarHBondContact O-N 3.37Å; S181-K185 PolarHBondContact O-N 3.4Å; S181-K185 VanDerWaalsContact O-N 3.12Å
182	K	94.5	Very high	90.3	Very high	50 Å²	50	49.3 Å²	49.3	22%	0.217	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-44.6	172.8	-69.7	176.7	-177.9	164.9	0	111.3	V112 F114 N115 E178 F179 K185 A186	V112-K182 HydrophobicContact CG1-CB 4.07Å; F114-K182 HydrophobicContact CD1-CD 4.44Å; N115-K182 PolarHBondContact O-NZ 3.23Å; E178-K182 PolarHBondContact O-N 3.36Å; E178-K182 WeakPolarHBondContact OE1-CE 3.19Å; E178-K182 IonicContact OE1-NZ 3.26Å; E178-K182 PolarHBondContact OE1-NZ 3.4Å; F179-K182 WeakPolarHBondContact O-CB 3.22Å; F179-K182 PolarHBondContact O-N 2.95Å; F179-K182 VanDerWaalsContact O-N 3.13Å; K182-K185 PolarHBondContact O-N 3.17Å; K182-A186 PolarHBondContact O-N 3.26Å
183	I	94.5	Very high	88.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-50.8	176.2	-67.2	163.1	0	0	0	110.7	V32 Y105 F109 V112 F114 F179 L180 K185 A186 I187	V32-I183 HydrophobicContact CG1-CG2 4.47Å; V32-I183 HydrophobicContact CG2-CG2 4.07Å; Y105-I183 HydrophobicContact CD1-CD1 3.72Å; Y105-I183 HydrophobicContact CE1-CD1 4.06Å; Y105-I183 HydrophobicContact CG-CD1 4.02Å; F109-I183 HydrophobicContact CD1-CG2 3.92Å; F109-I183 HydrophobicContact CD2-CD1 3.64Å; F109-I183 HydrophobicContact CD2-CG1 3.98Å; F109-I183 HydrophobicContact CD2-CG2 4.36Å; F109-I183 HydrophobicContact CE1-CG2 3.78Å; F109-I183 HydrophobicContact CE2-CD1 3.85Å; F109-I183 HydrophobicContact CE2-CG1 4.45Å; F109-I183 HydrophobicContact CE2-CG2 4.25Å; F109-I183 HydrophobicContact CG-CD1 4.27Å; F109-I183 HydrophobicContact CG-CG1 4.1Å; F109-I183 HydrophobicContact CG-CG2 4.22Å; F109-I183 HydrophobicContact CZ-CG2 3.98Å; V112-I183 HydrophobicContact CG1-CG1 4.27Å; V112-I183 HydrophobicContact CG2-CG1 4.31Å; F114-I183 HydrophobicContact CE1-CD1 4.11Å; F114-I183 HydrophobicContact CE1-CG1 3.91Å; F114-I183 HydrophobicContact CZ-CD1 3.91Å; F114-I183 HydrophobicContact CZ-CG1 3.63Å; F179-I183 WeakPolarHBondContact O-CG1 3Å; F179-I183 PolarHBondContact O-N 3.1Å; L180-I183 PolarHBondContact O-N 3.5Å; I183-K185 VanDerWaalsContact C-N 3.27Å; I183-K185 PolarHBondContact O-N 2.92Å; I183-A186 PolarHBondContact O-N 3.49Å; I183-A186 VanDerWaalsContact O-N 3.1Å; I183-I187 HydrophobicContact CG2-CD1 3.76Å; I183-I187 HydrophobicContact CG2-CG1 4.33Å; I183-I187 WeakPolarHBondContact O-CG1 3.44Å; I183-I187 PolarHBondContact O-N 3.19Å
184	L	95	Very high	88	Confident	29 Å²	29	62.4 Å²	62.4	15%	0.152	32%	0.315	C	S	.	.	H	α-helix	trans	-56.7	-42.7	179.5	-179.9	58	0	0	0	111.8	P29 V32 K33 I36 L180 N188	P29-L184 HydrophobicContact CB-CD1 3.75Å; V32-L184 HydrophobicContact CB-CB 4.43Å; V32-L184 HydrophobicContact CB-CD1 4.33Å; V32-L184 HydrophobicContact CG1-CB 3.76Å; K33-L184 HydrophobicContact CG-CD1 4.1Å; K33-L184 HydrophobicContact CG-CD2 3.82Å; I36-L184 HydrophobicContact CD1-CB 4.45Å; I36-L184 HydrophobicContact CD1-CD2 4.02Å; L180-L184 WeakPolarHBondContact O-CB 3Å; L180-L184 PolarHBondContact O-N 3.28Å; L184-N188 WeakPolarHBondContact O-CB 3.35Å; L184-N188 VanDerWaalsContact O-CG 3.29Å; L184-N188 PolarHBondContact O-N 2.85Å; L184-N188 VanDerWaalsContact O-N 3.1Å; L184-N188 PolarHBondContact O-ND2 3Å
185	K	93.3	Very high	87.6	Confident	142 Å²	142	62.4 Å²	62.4	62%	0.617	32%	0.315	S	S	*	.	H	α-helix	trans	-61.8	-44.6	177.4	-174.7	178.2	178.8	-179.1	0	111.6	S181 K182 I183 N188 N189	S181-K185 PolarHBondContact O-N 3.4Å; S181-K185 VanDerWaalsContact O-N 3.12Å; K182-K185 PolarHBondContact O-N 3.17Å; I183-K185 VanDerWaalsContact C-N 3.27Å; I183-K185 PolarHBondContact O-N 2.92Å; K185-N188 PolarHBondContact O-N 3.15Å; K185-N189 PolarHBondContact O-N 3.1Å; K185-N189 PolarHBondContact O-ND2 3.23Å
186	A	91.5	Very high	87.2	Confident	27 Å²	27	65.8 Å²	65.8	22%	0.223	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-46.3	179.1	0	0	0	0	0	112.3	V112 K182 I183 N188 N189 V190	V112-A186 HydrophobicContact CG2-CB 3.58Å; K182-A186 PolarHBondContact O-N 3.26Å; I183-A186 PolarHBondContact O-N 3.49Å; I183-A186 VanDerWaalsContact O-N 3.1Å; A186-N188 VanDerWaalsContact C-N 3.3Å; A186-N188 PolarHBondContact O-N 2.97Å; A186-N189 PolarHBondContact O-N 3.08Å; A186-N189 VanDerWaalsContact O-N 3.15Å; A186-V190 PolarHBondContact O-N 2.92Å; A186-V190 VanDerWaalsContact O-N 3.11Å
187	I	89.8	Confident	86.7	Confident	28 Å²	28	68 Å²	68	14%	0.144	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-40.4	178.9	-60.2	171.8	0	0	0	110.9	P29 V32 F109 I183 V190 K191	P29-I187 HydrophobicContact CG-CB 4.44Å; P29-I187 HydrophobicContact CG-CG2 3.58Å; V32-I187 HydrophobicContact CG2-CD1 3.92Å; F109-I187 HydrophobicContact CE1-CD1 4.42Å; I183-I187 HydrophobicContact CG2-CD1 3.76Å; I183-I187 HydrophobicContact CG2-CG1 4.33Å; I183-I187 WeakPolarHBondContact O-CG1 3.44Å; I183-I187 PolarHBondContact O-N 3.19Å; I187-V190 PolarHBondContact O-N 3.36Å; I187-K191 PolarHBondContact O-N 3.23Å
188	N	89.1	Confident	86.1	Confident	60 Å²	60	69.8 Å²	69.8	32%	0.321	36%	0.355	S	S	.	.	H	α-helix	trans	-67.8	-34.5	177.3	-71.6	-26.5	0	0	0	113	P29 L184 K185 A186 V190 K191 T192	P29-N188 WeakPolarHBondContact CG-OD1 3.37Å; L184-N188 WeakPolarHBondContact O-CB 3.35Å; L184-N188 VanDerWaalsContact O-CG 3.29Å; L184-N188 PolarHBondContact O-N 2.85Å; L184-N188 VanDerWaalsContact O-N 3.1Å; L184-N188 PolarHBondContact O-ND2 3Å; K185-N188 PolarHBondContact O-N 3.15Å; A186-N188 VanDerWaalsContact C-N 3.3Å; A186-N188 PolarHBondContact O-N 2.97Å; N188-V190 VanDerWaalsContact C-N 3.33Å; N188-K191 PolarHBondContact O-N 3.41Å; N188-T192 PolarHBondContact O-N 3.39Å; N188-T192 PolarHBondContact O-OG1 3.35Å
189	N	85.8	Confident	85.5	Confident	87 Å²	87	71.5 Å²	71.5	47%	0.465	37%	0.365	S	S	.	.	H	α-helix	trans	-69.3	-30.3	176.3	-71.5	-14.3	0	0	0	112.7	K185 A186 T192	K185-N189 PolarHBondContact O-N 3.1Å; K185-N189 PolarHBondContact O-ND2 3.23Å; A186-N189 PolarHBondContact O-N 3.08Å; A186-N189 VanDerWaalsContact O-N 3.15Å; N189-T192 PolarHBondContact O-OG1 3.27Å; N189-T192 VanDerWaalsContact O-OG1 3.12Å
190	V	78.1	Confident	84.8	Confident	109 Å²	109	76.6 Å²	76.6	66%	0.661	39%	0.391	S	S	*	.	H	α-helix	trans	-69.9	-38	174.7	173.8	0	0	0	0	111.1	A186 I187 N188 T192 K193	A186-V190 PolarHBondContact O-N 2.92Å; A186-V190 VanDerWaalsContact O-N 3.11Å; I187-V190 PolarHBondContact O-N 3.36Å; N188-V190 VanDerWaalsContact C-N 3.33Å; V190-T192 VanDerWaalsContact C-N 3.26Å; V190-T192 PolarHBondContact O-N 3.19Å; V190-K193 PolarHBondContact O-N 2.65Å
191	K	65.2	Low	84	Confident	139 Å²	139	82.5 Å²	82.5	60%	0.604	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-11.9	-179.6	-70.5	-171.7	177	-169	0	115.1	P29 I187 N188	P29-K191 VanDerWaalsContact CD-NZ 3.33Å; P29-K191 HydrophobicContact CG-CD 4.29Å; I187-K191 PolarHBondContact O-N 3.23Å; N188-K191 PolarHBondContact O-N 3.41Å
192	T	65.7	Low	83	Confident	117 Å²	117	85.9 Å²	85.9	72%	0.718	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-3.5	-179.5	45.9	0	0	0	0	113.4	N188 N189 V190	N188-T192 PolarHBondContact O-N 3.39Å; N188-T192 PolarHBondContact O-OG1 3.35Å; N189-T192 PolarHBondContact O-OG1 3.27Å; N189-T192 VanDerWaalsContact O-OG1 3.12Å; V190-T192 VanDerWaalsContact C-N 3.26Å; V190-T192 PolarHBondContact O-N 3.19Å
193	K	54.1	Low	82	Confident	243 Å²	243	89.2 Å²	89.2	100%	1.057	45%	0.451	S	S	*	.			trans	-95.1	0	169.7	-70.4	-177	178.1	-179.8	0	110.2	V190	V190-K193 PolarHBondContact O-N 2.65Å

Retrieved 193 of 193 residues in 174.6 ms (Link to these results)

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