A0A3Q0KIP1_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KIP1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 194 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	61	Low	76.3	Confident	217 Å²	217	114.9 Å²	114.9	100%	1.069	61%	0.612	S	S	*	*				0	-14.1	0	-79.2	174.4	71	0	0	114.5
2	V	69.1	Low	76.5	Confident	105 Å²	105	114 Å²	114	64%	0.636	61%	0.606	S	S	*	*	H	α-helix	trans	-69.6	-36.4	-178.7	-180	0	0	0	0	113.1	L4 V5	V2-L4 VanDerWaalsContact C-N 3.3Å; V2-L4 PolarHBondContact O-N 3.32Å; V2-V5 PolarHBondContact O-N 3.24Å
3	C	71.8	Confident	76.5	Confident	103 Å²	103	112.5 Å²	112.5	70%	0.696	60%	0.598	S	S	*	*	H	α-helix	trans	-64.5	-28	-175.5	-56.8	0	0	0	0	114.9	F7	C3-F7 PolarHBondContact O-N 3.31Å
4	L	76.6	Confident	76.2	Confident	120 Å²	120	112.9 Å²	112.9	63%	0.628	60%	0.599	S	S	*	*	H	α-helix	trans	-70.6	-36.5	-179.1	-112	140.5	0	0	0	112	V2 F7 H8	V2-L4 VanDerWaalsContact C-N 3.3Å; V2-L4 PolarHBondContact O-N 3.32Å; L4-F7 PolarHBondContact O-N 3.11Å; L4-H8 PolarHBondContact O-CD2 3.47Å; L4-H8 PolarHBondContact O-N 3.45Å
5	V	78.9	Confident	75.6	Confident	90 Å²	90	112.8 Å²	112.8	55%	0.545	60%	0.598	S	S	.	*	H	α-helix	trans	-66.9	-41.9	179.7	-178.9	0	0	0	0	110.9	V2 F7 H8 V9	V2-V5 PolarHBondContact O-N 3.24Å; V5-F7 PolarHBondContact O-N 3.49Å; V5-H8 PolarHBondContact O-N 3.39Å; V5-V9 HydrophobicContact CG1-CG2 4.45Å; V5-V9 WeakPolarHBondContact O-CG2 3.42Å; V5-V9 PolarHBondContact O-N 3.02Å
6	W	78.3	Confident	74.8	Confident	183 Å²	183	112.8 Å²	112.8	69%	0.693	60%	0.598	S	S	*	*	H	α-helix	trans	-65.9	-36	179.7	-77	90	0	0	0	113	V9 A10	W6-V9 PolarHBondContact O-N 2.92Å; W6-A10 WeakPolarHBondContact O-CB 3.33Å; W6-A10 PolarHBondContact O-N 3.4Å
7	F	80.2	Confident	73.7	Confident	169 Å²	169	113.7 Å²	113.7	74%	0.741	60%	0.598	S	S	*	*	H	α-helix	trans	-63.2	-42.1	174.1	-106	-80	0	0	0	112.1	C3 L4 V5 A10 A11	C3-F7 PolarHBondContact O-N 3.31Å; L4-F7 PolarHBondContact O-N 3.11Å; V5-F7 PolarHBondContact O-N 3.49Å; F7-A10 PolarHBondContact O-N 3.26Å; F7-A11 WeakPolarHBondContact O-CB 3.36Å; F7-A11 PolarHBondContact O-N 3.45Å
8	H	78.6	Confident	72.9	Confident	115 Å²	115	111.9 Å²	111.9	53%	0.532	59%	0.592	S	S	.	*	H	α-helix	trans	-66.8	-41	176.7	-71.5	-57.1	0	0	0	112.4	L4 V5 A11 L12	L4-H8 PolarHBondContact O-CD2 3.47Å; L4-H8 PolarHBondContact O-N 3.45Å; V5-H8 PolarHBondContact O-N 3.39Å; H8-A11 PolarHBondContact O-N 2.92Å; H8-L12 WeakPolarHBondContact O-CB 3.39Å; H8-L12 VanDerWaalsContact O-CG 3.3Å; H8-L12 WeakPolarHBondContact O-CG 3.3Å; H8-L12 PolarHBondContact O-N 3.42Å
9	V	81.7	Confident	72.1	Confident	67 Å²	67	110.6 Å²	110.6	41%	0.406	59%	0.593	S	S	.	*	H	α-helix	trans	-64.9	-42.9	176.6	175.1	0	0	0	0	111.1	V5 W6 L12 L13	V5-V9 HydrophobicContact CG1-CG2 4.45Å; V5-V9 WeakPolarHBondContact O-CG2 3.42Å; V5-V9 PolarHBondContact O-N 3.02Å; W6-V9 PolarHBondContact O-N 2.92Å; V9-L12 PolarHBondContact O-N 2.94Å; V9-L13 HydrophobicContact CG1-CD1 3.92Å; V9-L13 HydrophobicContact CG1-CG 4.42Å; V9-L13 WeakPolarHBondContact O-CB 3.4Å; V9-L13 WeakPolarHBondContact O-CG 3.29Å; V9-L13 PolarHBondContact O-N 3.37Å
10	A	82	Confident	71	Confident	47 Å²	47	110.2 Å²	110.2	39%	0.388	59%	0.594	S	S	.	*	H	α-helix	trans	-64.8	-41	176.7	0	0	0	0	0	112.2	W6 F7 L13 L14	W6-A10 WeakPolarHBondContact O-CB 3.33Å; W6-A10 PolarHBondContact O-N 3.4Å; F7-A10 PolarHBondContact O-N 3.26Å; A10-L13 PolarHBondContact O-N 2.88Å; A10-L14 WeakPolarHBondContact O-CB 3.39Å; A10-L14 PolarHBondContact O-N 2.88Å
11	A	81.5	Confident	69.5	Low	48 Å²	48	111.9 Å²	111.9	40%	0.397	60%	0.599	S	S	.	*	H	α-helix	trans	-64.2	-40.9	175.6	0	0	0	0	0	111.9	F7 H8 L14 L15	F7-A11 WeakPolarHBondContact O-CB 3.36Å; F7-A11 PolarHBondContact O-N 3.45Å; H8-A11 PolarHBondContact O-N 2.92Å; A11-L14 PolarHBondContact O-N 3.35Å; A11-L15 WeakPolarHBondContact O-CB 3.33Å; A11-L15 VanDerWaalsContact O-CG 3.29Å; A11-L15 WeakPolarHBondContact O-CG 3.43Å; A11-L15 PolarHBondContact O-N 2.83Å
12	L	78.6	Confident	68.8	Low	104 Å²	104	106.3 Å²	106.3	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-66	-40.7	175.1	-74.9	166.1	0	0	0	112	H8 V9 L15 L16	H8-L12 WeakPolarHBondContact O-CB 3.39Å; H8-L12 VanDerWaalsContact O-CG 3.3Å; H8-L12 WeakPolarHBondContact O-CG 3.3Å; H8-L12 PolarHBondContact O-N 3.42Å; V9-L12 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 3.33Å; L12-L16 WeakPolarHBondContact O-CB 3.25Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 2.84Å
13	L	75.7	Confident	67.5	Low	95 Å²	95	108.3 Å²	108.3	50%	0.497	58%	0.584	S	S	.	*	H	α-helix	trans	-66.5	-39.5	175.8	-75.1	169.2	0	0	0	112.2	V9 A10 L16 H17	V9-L13 HydrophobicContact CG1-CD1 3.92Å; V9-L13 HydrophobicContact CG1-CG 4.42Å; V9-L13 WeakPolarHBondContact O-CB 3.4Å; V9-L13 WeakPolarHBondContact O-CG 3.29Å; V9-L13 PolarHBondContact O-N 3.37Å; A10-L13 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 2.83Å; L13-H17 WeakPolarHBondContact O-CB 3.39Å; L13-H17 PolarHBondContact O-N 2.93Å
14	L	73.2	Confident	66.4	Low	118 Å²	118	108.6 Å²	108.6	62%	0.618	58%	0.582	S	S	*	*	H	α-helix	trans	-63.5	-43.8	172.5	-93.5	152.1	0	0	0	111.2	A10 A11 H17 T18	A10-L14 WeakPolarHBondContact O-CB 3.39Å; A10-L14 PolarHBondContact O-N 2.88Å; A11-L14 PolarHBondContact O-N 3.35Å; L14-H17 PolarHBondContact O-N 2.89Å; L14-T18 WeakPolarHBondContact O-CG2 3.34Å; L14-T18 PolarHBondContact O-N 3.35Å; L14-T18 PolarHBondContact O-OG1 3.4Å
15	L	66.8	Low	65.2	Low	111 Å²	111	109.8 Å²	109.8	58%	0.581	59%	0.585	S	S	*	*	H	α-helix	trans	-62.6	-44	176.1	-77.9	165.5	0	0	0	111.9	A11 L12 T18 S19	A11-L15 WeakPolarHBondContact O-CB 3.33Å; A11-L15 VanDerWaalsContact O-CG 3.29Å; A11-L15 WeakPolarHBondContact O-CG 3.43Å; A11-L15 PolarHBondContact O-N 2.83Å; L12-L15 PolarHBondContact O-N 3.33Å; L15-T18 WeakPolarHBondContact CA-OG1 3.37Å; L15-T18 PolarHBondContact O-N 3.02Å; L15-T18 PolarHBondContact O-OG1 2.88Å; L15-S19 VanDerWaalsContact O-CB 3.25Å; L15-S19 WeakPolarHBondContact O-CB 3.41Å; L15-S19 PolarHBondContact O-N 3.47Å
16	L	63	Low	63.9	Low	113 Å²	113	109.6 Å²	109.6	59%	0.592	59%	0.588	S	S	*	*	H	α-helix	trans	-61.7	-45.1	175	-79.3	161.3	0	0	0	111.2	L12 L13 S19 T20	L12-L16 WeakPolarHBondContact O-CB 3.25Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 2.84Å; L13-L16 PolarHBondContact O-N 2.83Å; L16-S19 PolarHBondContact O-N 2.89Å; L16-T20 PolarHBondContact O-N 3.31Å; L16-T20 VanDerWaalsContact O-N 3.09Å; L16-T20 PolarHBondContact O-OG1 3.26Å
17	H	56.9	Low	63.4	Low	128 Å²	128	102.1 Å²	102.1	59%	0.593	56%	0.561	S	S	*	*	H	α-helix	trans	-64.2	-43.6	176.5	-96	-60.6	0	0	0	112.4	L13 L14 S19 T20 Q21	L13-H17 WeakPolarHBondContact O-CB 3.39Å; L13-H17 PolarHBondContact O-N 2.93Å; L14-H17 PolarHBondContact O-N 2.89Å; H17-S19 VanDerWaalsContact C-N 3.27Å; H17-S19 PolarHBondContact O-N 3.2Å; H17-T20 PolarHBondContact O-N 3.11Å; H17-T20 PolarHBondContact O-OG1 3.09Å; H17-Q21 WeakPolarHBondContact O-CB 3.4Å; H17-Q21 PolarHBondContact O-N 3.42Å; H17-Q21 VanDerWaalsContact O-N 3.11Å
18	T	59.2	Low	63.5	Low	81 Å²	81	99.4 Å²	99.4	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-66.4	-31.4	175.8	52.7	0	0	0	0	112.2	L14 L15 T20 Q21	L14-T18 WeakPolarHBondContact O-CG2 3.34Å; L14-T18 PolarHBondContact O-N 3.35Å; L14-T18 PolarHBondContact O-OG1 3.4Å; L15-T18 WeakPolarHBondContact CA-OG1 3.37Å; L15-T18 PolarHBondContact O-N 3.02Å; L15-T18 PolarHBondContact O-OG1 2.88Å; T18-T20 VanDerWaalsContact C-N 3.31Å; T18-T20 PolarHBondContact O-N 3.49Å; T18-Q21 PolarHBondContact O-N 3.25Å
19	S	56.3	Low	64	Low	87 Å²	87	95.1 Å²	95.1	61%	0.608	53%	0.533	S	S	*	.	H	α-helix	trans	-70.6	-27.9	177	-171.8	0	0	0	0	112.5	L15 L16 H17	L15-S19 VanDerWaalsContact O-CB 3.25Å; L15-S19 WeakPolarHBondContact O-CB 3.41Å; L15-S19 PolarHBondContact O-N 3.47Å; L16-S19 PolarHBondContact O-N 2.89Å; H17-S19 VanDerWaalsContact C-N 3.27Å; H17-S19 PolarHBondContact O-N 3.2Å
20	T	49.9	Very low	64.4	Low	102 Å²	102	96.9 Å²	96.9	63%	0.626	54%	0.537	S	S	*	.	H	α-helix	trans	-87.2	-15.1	173.9	48.9	0	0	0	0	113.6	L16 H17 T18	L16-T20 PolarHBondContact O-N 3.31Å; L16-T20 VanDerWaalsContact O-N 3.09Å; L16-T20 PolarHBondContact O-OG1 3.26Å; H17-T20 PolarHBondContact O-N 3.11Å; H17-T20 PolarHBondContact O-OG1 3.09Å; T18-T20 VanDerWaalsContact C-N 3.31Å; T18-T20 PolarHBondContact O-N 3.49Å
21	Q	40.7	Very low	64.9	Low	147 Å²	147	98.7 Å²	98.7	69%	0.687	54%	0.54	S	S	*	.			trans	-98.9	5.6	-173.9	-144.7	176.7	10.8	0	0	114.1	H17 T18 D23	H17-Q21 WeakPolarHBondContact O-CB 3.4Å; H17-Q21 PolarHBondContact O-N 3.42Å; H17-Q21 VanDerWaalsContact O-N 3.11Å; T18-Q21 PolarHBondContact O-N 3.25Å; Q21-D23 PolarHBondContact O-N 2.73Å
22	T	45	Very low	65.5	Low	100 Å²	100	96.5 Å²	96.5	61%	0.613	52%	0.522	S	S	*	.			trans	-71.5	81.6	148.4	42.7	0	0	0	0	107.1	V24	T22-V24 PolarHBondContact O-N 2.94Å
23	D	42.2	Very low	66.3	Low	147 Å²	147	96.3 Å²	96.3	79%	0.786	52%	0.516	S	S	*	.			trans	-56.9	61.6	145.7	-79	-39.9	0	0	0	107.4	Q21 E25	Q21-D23 PolarHBondContact O-N 2.73Å; D23-E25 PolarHBondContact O-N 2.96Å
24	V	49.1	Very low	67.3	Low	108 Å²	108	94.7 Å²	94.7	66%	0.655	52%	0.517	S	S	*	.			trans	-53.6	111	147.5	176	0	0	0	0	101	T22 S26	T22-V24 PolarHBondContact O-N 2.94Å; V24-S26 PolarHBondContact O-N 3.18Å
25	E	50.9	Low	68.3	Low	145 Å²	145	91.8 Å²	91.8	68%	0.678	50%	0.5	S	S	*	.			trans	-46.6	91.4	159.2	-76.7	176.7	159.1	0	0	104.9	D23 N27 K108	D23-E25 PolarHBondContact O-N 2.96Å; E25-N27 PolarHBondContact O-N 2.82Å; E25-N27 PolarHBondContact O-ND2 2.76Å; E25-K108 IonicContact OE2-NZ 3.17Å
26	S	53	Low	69.8	Low	87 Å²	87	87.2 Å²	87.2	61%	0.608	48%	0.476	S	S	*	.			trans	-65.4	92.6	171.5	164.8	0	0	0	0	100.8	V24 Q28	V24-S26 PolarHBondContact O-N 3.18Å; S26-Q28 WeakPolarHBondContact O-CG 3.16Å; S26-Q28 PolarHBondContact O-N 2.93Å
27	N	66	Low	71.4	Confident	26 Å²	26	85.3 Å²	85.3	14%	0.139	47%	0.472	C	S	.	.			trans	-64.1	101.8	179.1	-56.3	-80.2	0	0	0	102.9	E25 I32 K108 Y109 M187	E25-N27 PolarHBondContact O-N 2.82Å; E25-N27 PolarHBondContact O-ND2 2.76Å; N27-I32 HydrophobicContact CB-CD1 3.9Å; N27-I32 HydrophobicContact CB-CG1 4.38Å; N27-K108 WeakPolarHBondContact ND2-CE 3.49Å; N27-K108 PolarHBondContact ND2-NZ 2.6Å; N27-K108 PolarHBondContact OD1-NZ 2.75Å; N27-Y109 HydrophobicContact CB-CE1 4.35Å; N27-Y109 WeakPolarHBondContact CB-OH 3.41Å; N27-Y109 PolarHBondContact ND2-OH 3.33Å; N27-Y109 VanDerWaalsContact ND2-OH 3.07Å; N27-M187 WeakPolarHBondContact O-CE 3.25Å
28	Q	82.7	Confident	73.4	Confident	112 Å²	112	86.7 Å²	86.7	52%	0.523	48%	0.477	S	S	.	.			trans	-65.4	153.3	-176.3	-59.6	-166.6	-50.4	0	0	107.1	S26 E30 D31 I32	S26-Q28 WeakPolarHBondContact O-CG 3.16Å; S26-Q28 PolarHBondContact O-N 2.93Å; Q28-E30 PolarHBondContact O-N 2.86Å; Q28-D31 PolarHBondContact N-OD2 3.2Å; Q28-D31 WeakPolarHBondContact O-CB 3.39Å; Q28-D31 PolarHBondContact O-N 3.44Å; Q28-I32 PolarHBondContact O-N 3.25Å
29	P	89.2	Confident	75.1	Confident	24 Å²	24	82.9 Å²	82.9	16%	0.156	45%	0.453	C	S	.	.	H	α-helix	trans	-49.2	-31.9	174.4	-27.8	35.4	0	0	0	112.3	I32 K33 L184 M187	P29-I32 PolarHBondContact O-N 3.07Å; P29-K33 WeakPolarHBondContact O-CB 3.02Å; P29-K33 WeakPolarHBondContact O-CD 3.05Å; P29-K33 WeakPolarHBondContact O-CG 3.28Å; P29-K33 PolarHBondContact O-N 3.34Å; P29-L184 HydrophobicContact CB-CD1 4.09Å; P29-M187 HydrophobicContact CG-CE 3.75Å
30	E	90.9	Very high	77.1	Confident	105 Å²	105	83.3 Å²	83.3	49%	0.491	45%	0.446	S	S	.	.	H	α-helix	trans	-62.4	-41.6	174.8	-70	60.1	-129.4	0	0	113.2	Q28 K33 A34	Q28-E30 PolarHBondContact O-N 2.86Å; E30-K33 PolarHBondContact O-N 2.98Å; E30-K33 IonicContact OE1-NZ 2.71Å; E30-A34 WeakPolarHBondContact O-CB 3.49Å; E30-A34 PolarHBondContact O-N 3.36Å
31	D	92.2	Very high	79.4	Confident	85 Å²	85	80.5 Å²	80.5	46%	0.455	44%	0.437	S	S	.	.	H	α-helix	trans	-67.3	-42	178.2	-64.8	-38.2	0	0	0	110.7	Q28 A34 E35	Q28-D31 PolarHBondContact N-OD2 3.2Å; Q28-D31 WeakPolarHBondContact O-CB 3.39Å; Q28-D31 PolarHBondContact O-N 3.44Å; D31-A34 WeakPolarHBondContact O-CB 3.24Å; D31-A34 PolarHBondContact O-N 3.29Å; D31-E35 PolarHBondContact O-N 3.49Å
32	I	94.5	Very high	82.2	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.005	42%	0.419	C	S	.	.	H	α-helix	trans	-63.2	-45.1	176	-56	-59.1	0	0	0	110.4	N27 Q28 P29 A34 E35 I36 Y109 L180 I183 L184 M187	N27-I32 HydrophobicContact CB-CD1 3.9Å; N27-I32 HydrophobicContact CB-CG1 4.38Å; Q28-I32 PolarHBondContact O-N 3.25Å; P29-I32 PolarHBondContact O-N 3.07Å; I32-A34 VanDerWaalsContact C-N 3.3Å; I32-A34 PolarHBondContact O-N 3.41Å; I32-E35 PolarHBondContact O-N 3.07Å; I32-I36 HydrophobicContact CG2-CD1 4.08Å; I32-I36 VanDerWaalsContact O-CG1 3.31Å; I32-I36 WeakPolarHBondContact O-CG1 3.35Å; I32-I36 PolarHBondContact O-N 3.08Å; I32-Y109 WeakPolarHBondContact CD1-OH 3.41Å; I32-L180 HydrophobicContact CD1-CD2 4.35Å; I32-L180 HydrophobicContact CG2-CB 4.29Å; I32-L180 HydrophobicContact CG2-CD2 4.27Å; I32-L180 WeakPolarHBondContact CG2-O 3.46Å; I32-I183 HydrophobicContact CD1-CG2 4.11Å; I32-I183 HydrophobicContact CG1-CG2 4.2Å; I32-L184 HydrophobicContact CG2-CB 3.95Å; I32-L184 HydrophobicContact CG2-CD1 4.47Å; I32-M187 HydrophobicContact CG1-SD 4.04Å
33	K	95.1	Very high	84.7	Confident	100 Å²	100	73.2 Å²	73.2	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-60.1	-39.1	175.3	-72.5	165.9	-168	166	0	112.1	P29 E30 S37 L184	P29-K33 WeakPolarHBondContact O-CB 3.02Å; P29-K33 WeakPolarHBondContact O-CD 3.05Å; P29-K33 WeakPolarHBondContact O-CG 3.28Å; P29-K33 PolarHBondContact O-N 3.34Å; E30-K33 PolarHBondContact O-N 2.98Å; E30-K33 IonicContact OE1-NZ 2.71Å; K33-S37 PolarHBondContact O-N 3.06Å; K33-S37 PolarHBondContact O-OG 2.8Å; K33-L184 HydrophobicContact CG-CD1 4.17Å; K33-L184 HydrophobicContact CG-CD2 3.89Å
34	A	95.7	Very high	87.4	Confident	61 Å²	61	73.9 Å²	73.9	50%	0.504	39%	0.388	S	S	.	.	H	α-helix	trans	-66.1	-41.1	176.3	0	0	0	0	0	111.6	E30 D31 I32 S37 K38	E30-A34 WeakPolarHBondContact O-CB 3.49Å; E30-A34 PolarHBondContact O-N 3.36Å; D31-A34 WeakPolarHBondContact O-CB 3.24Å; D31-A34 PolarHBondContact O-N 3.29Å; I32-A34 VanDerWaalsContact C-N 3.3Å; I32-A34 PolarHBondContact O-N 3.41Å; A34-S37 PolarHBondContact O-N 2.91Å; A34-K38 PolarHBondContact O-N 3.39Å
35	E	95.9	Very high	89.7	Confident	57 Å²	57	72.3 Å²	72.3	27%	0.266	37%	0.374	S	S	.	.	H	α-helix	trans	-66.8	-40.7	177.1	-161.8	173	-167.8	0	0	112.3	D31 I32 S37 K38 S39 K176 L180	D31-E35 PolarHBondContact O-N 3.49Å; I32-E35 PolarHBondContact O-N 3.07Å; E35-S37 PolarHBondContact O-N 3.29Å; E35-K38 WeakPolarHBondContact O-CB 3.3Å; E35-K38 PolarHBondContact O-N 3.47Å; E35-S39 PolarHBondContact O-N 2.97Å; E35-K176 WeakPolarHBondContact OE1-CE 3.34Å; E35-K176 IonicContact OE1-NZ 3.99Å; E35-K176 PolarHBondContact OE1-NZ 3.48Å; E35-L180 HydrophobicContact CB-CD1 3.95Å; E35-L180 HydrophobicContact CB-CD2 4.31Å; E35-L180 HydrophobicContact CG-CD1 3.61Å; E35-L180 HydrophobicContact CG-CD2 4.27Å; E35-L180 VanDerWaalsContact OE2-CD2 3.23Å; E35-L180 WeakPolarHBondContact OE2-CD2 3.31Å
36	I	96.7	Very high	92	Very high	15 Å²	15	65.4 Å²	65.4	8%	0.077	34%	0.341	C	S	.	.	H	α-helix	trans	-56	-51.8	172.2	-72.5	171.6	0	0	0	110.4	I32 K38 S39 E40 Y177 L180 L184	I32-I36 HydrophobicContact CG2-CD1 4.08Å; I32-I36 VanDerWaalsContact O-CG1 3.31Å; I32-I36 WeakPolarHBondContact O-CG1 3.35Å; I32-I36 PolarHBondContact O-N 3.08Å; I36-K38 PolarHBondContact O-N 2.92Å; I36-S39 PolarHBondContact O-N 2.95Å; I36-S39 VanDerWaalsContact O-N 3.09Å; I36-E40 WeakPolarHBondContact O-CG 3.22Å; I36-E40 PolarHBondContact O-N 3.04Å; I36-Y177 HydrophobicContact CG2-CD2 3.97Å; I36-Y177 HydrophobicContact CG2-CE2 3.53Å; I36-L180 HydrophobicContact CD1-CB 4.11Å; I36-L180 HydrophobicContact CG1-CB 3.56Å; I36-L180 HydrophobicContact CG1-CD1 4.25Å; I36-L184 HydrophobicContact CD1-CB 4.47Å; I36-L184 HydrophobicContact CD1-CD2 3.96Å
37	S	97.6	Very high	94.2	Very high	74 Å²	74	67.4 Å²	67.4	52%	0.517	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-38	179.7	-58.9	0	0	0	0	111.8	K33 A34 E35 G41	K33-S37 PolarHBondContact O-N 3.06Å; K33-S37 PolarHBondContact O-OG 2.8Å; A34-S37 PolarHBondContact O-N 2.91Å; E35-S37 PolarHBondContact O-N 3.29Å; S37-G41 PolarHBondContact O-N 3.08Å; S37-G41 VanDerWaalsContact O-N 3.11Å
38	K	97.6	Very high	95.7	Very high	157 Å²	157	72.3 Å²	72.3	68%	0.683	36%	0.356	S	S	*	.	H	α-helix	trans	-66.5	-45.1	175.4	-175.8	-179	176.9	-177.9	0	111.8	A34 E35 I36 E40 G41 R42	A34-K38 PolarHBondContact O-N 3.39Å; E35-K38 WeakPolarHBondContact O-CB 3.3Å; E35-K38 PolarHBondContact O-N 3.47Å; I36-K38 PolarHBondContact O-N 2.92Å; K38-E40 VanDerWaalsContact C-N 3.35Å; K38-E40 PolarHBondContact O-N 3.42Å; K38-G41 PolarHBondContact O-N 3.41Å; K38-R42 PolarHBondContact O-N 3.27Å
39	S	96.6	Very high	96.5	Very high	1 Å²	1	71 Å²	71	1%	0.007	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-40.8	175.9	-78.4	0	0	0	0	111.8	E35 I36 G41 R42 M43 E173	E35-S39 PolarHBondContact O-N 2.97Å; I36-S39 PolarHBondContact O-N 2.95Å; I36-S39 VanDerWaalsContact O-N 3.09Å; S39-G41 PolarHBondContact O-N 3.38Å; S39-R42 PolarHBondContact O-N 2.97Å; S39-M43 WeakPolarHBondContact O-CB 3.5Å; S39-M43 VanDerWaalsContact O-CG 3.3Å; S39-M43 WeakPolarHBondContact O-CG 3.44Å; S39-M43 PolarHBondContact O-N 3.43Å; S39-E173 WeakPolarHBondContact CB-OE2 3.36Å; S39-E173 PolarHBondContact OG-OE2 3.31Å
40	E	98	Very high	96.9	Very high	96 Å²	96	71 Å²	71	45%	0.449	35%	0.345	S	S	.	.	H	α-helix	trans	-59.5	-47	174.2	-69.9	-173.2	135.5	0	0	112.8	I36 K38 R42 M43 K44 Y177	I36-E40 WeakPolarHBondContact O-CG 3.22Å; I36-E40 PolarHBondContact O-N 3.04Å; K38-E40 VanDerWaalsContact C-N 3.35Å; K38-E40 PolarHBondContact O-N 3.42Å; E40-R42 VanDerWaalsContact C-N 3.32Å; E40-R42 PolarHBondContact O-N 3.47Å; E40-M43 HydrophobicContact CG-CE 4.3Å; E40-M43 PolarHBondContact O-N 2.84Å; E40-K44 PolarHBondContact O-N 2.94Å; E40-Y177 HydrophobicContact CG-CD2 3.9Å; E40-Y177 HydrophobicContact CG-CE2 3.49Å; E40-Y177 VanDerWaalsContact CG-CE2 3.49Å
41	G	98.2	Very high	97.3	Very high	43 Å²	43	72.8 Å²	72.8	44%	0.443	35%	0.351	S	S	.	.	H	α-helix	trans	-57.3	-46.1	175.3	0	0	0	0	0	111.8	S37 K38 S39 K44 E45	S37-G41 PolarHBondContact O-N 3.08Å; S37-G41 VanDerWaalsContact O-N 3.11Å; K38-G41 PolarHBondContact O-N 3.41Å; S39-G41 PolarHBondContact O-N 3.38Å; G41-K44 WeakPolarHBondContact O-CB 3.47Å; G41-K44 PolarHBondContact O-N 3.25Å; G41-E45 PolarHBondContact O-N 3.42Å; G41-E45 VanDerWaalsContact O-N 3.12Å
42	R	98.2	Very high	97.6	Very high	84 Å²	84	72.5 Å²	72.5	32%	0.317	35%	0.35	S	S	.	.	H	α-helix	trans	-64.2	-44.4	178.6	-175.8	58.8	177.2	168	1.6	112.3	K38 S39 E40 K44 E45 L46 E173	K38-R42 PolarHBondContact O-N 3.27Å; S39-R42 PolarHBondContact O-N 2.97Å; E40-R42 VanDerWaalsContact C-N 3.32Å; E40-R42 PolarHBondContact O-N 3.47Å; R42-K44 VanDerWaalsContact C-N 3.3Å; R42-K44 PolarHBondContact O-N 2.94Å; R42-E45 IonicContact CZ-OE2 2.81Å; R42-E45 IonicContact NH1-OE1 2.71Å; R42-E45 IonicContact NH1-OE2 3.33Å; R42-E45 PolarHBondContact NH1-OE2 3.13Å; R42-E45 WeakPolarHBondContact O-CB 3.37Å; R42-E45 PolarHBondContact O-N 3.39Å; R42-L46 HydrophobicContact CG-CD1 3.92Å; R42-L46 HydrophobicContact CG-CG 4.49Å; R42-L46 WeakPolarHBondContact O-CG 3.37Å; R42-L46 PolarHBondContact O-N 3.19Å; R42-E173 HydrophobicContact CB-CG 4.45Å; R42-E173 HydrophobicContact CG-CG 3.83Å
43	M	98.4	Very high	97.8	Very high	10 Å²	10	75.7 Å²	75.7	5%	0.049	36%	0.362	C	S	.	.	H	α-helix	trans	-59.9	-40.4	176	-73	-168.5	-76.7	0	0	112	S39 E40 E45 L46 R47 L170 E173 F174 Y177	S39-M43 WeakPolarHBondContact O-CB 3.5Å; S39-M43 VanDerWaalsContact O-CG 3.3Å; S39-M43 WeakPolarHBondContact O-CG 3.44Å; S39-M43 PolarHBondContact O-N 3.43Å; E40-M43 HydrophobicContact CG-CE 4.3Å; E40-M43 PolarHBondContact O-N 2.84Å; M43-E45 VanDerWaalsContact C-N 3.34Å; M43-L46 PolarHBondContact O-N 2.92Å; M43-R47 WeakPolarHBondContact O-CB 3.46Å; M43-R47 VanDerWaalsContact O-CG 3.26Å; M43-R47 WeakPolarHBondContact O-CG 3.19Å; M43-R47 PolarHBondContact O-N 2.98Å; M43-L170 HydrophobicContact CB-CD1 3.8Å; M43-L170 HydrophobicContact CG-CD1 3.82Å; M43-E173 HydrophobicContact CG-CB 3.89Å; M43-F174 HydrophobicContact SD-CB 3.99Å; M43-F174 HydrophobicContact SD-CD2 3.77Å; M43-F174 HydrophobicContact SD-CG 4.38Å; M43-Y177 HydrophobicContact CE-CD1 4.49Å; M43-Y177 HydrophobicContact CE-CD2 3.74Å; M43-Y177 HydrophobicContact CE-CE2 4.39Å; M43-Y177 HydrophobicContact CE-CG 3.8Å
44	K	98.6	Very high	98	Very high	161 Å²	161	74 Å²	74	70%	0.7	36%	0.358	S	S	*	.	H	α-helix	trans	-62.7	-41.9	176.7	-173.9	-178.6	-179.7	179.8	0	111.8	E40 G41 R42 K48	E40-K44 PolarHBondContact O-N 2.94Å; G41-K44 WeakPolarHBondContact O-CB 3.47Å; G41-K44 PolarHBondContact O-N 3.25Å; R42-K44 VanDerWaalsContact C-N 3.3Å; R42-K44 PolarHBondContact O-N 2.94Å; K44-K48 PolarHBondContact O-N 3.03Å
45	E	98.4	Very high	98.1	Very high	74 Å²	74	74.9 Å²	74.9	35%	0.346	36%	0.36	S	S	.	.	H	α-helix	trans	-63.5	-50.1	176.6	-166.5	-167.5	-175.9	0	0	111.5	G41 R42 M43 R47 K48 Y49	G41-E45 PolarHBondContact O-N 3.42Å; G41-E45 VanDerWaalsContact O-N 3.12Å; R42-E45 IonicContact CZ-OE2 2.81Å; R42-E45 IonicContact NH1-OE1 2.71Å; R42-E45 IonicContact NH1-OE2 3.33Å; R42-E45 PolarHBondContact NH1-OE2 3.13Å; R42-E45 WeakPolarHBondContact O-CB 3.37Å; R42-E45 PolarHBondContact O-N 3.39Å; M43-E45 VanDerWaalsContact C-N 3.34Å; E45-R47 VanDerWaalsContact C-N 3.34Å; E45-R47 PolarHBondContact O-N 3.14Å; E45-K48 WeakPolarHBondContact O-CA 3.23Å; E45-K48 VanDerWaalsContact O-CB 3.28Å; E45-K48 WeakPolarHBondContact O-CB 3.34Å; E45-K48 PolarHBondContact O-N 2.91Å; E45-Y49 HydrophobicContact CG-CD2 4.27Å; E45-Y49 HydrophobicContact CG-CE2 3.52Å; E45-Y49 PolarHBondContact O-N 2.72Å; E45-Y49 WeakPolarHBondContact OE1-CE2 3.31Å; E45-Y49 VanDerWaalsContact OE1-CZ 3.31Å; E45-Y49 PolarHBondContact OE1-OH 3.45Å
46	L	98.6	Very high	98.2	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-41.5	179.1	-70.8	165.1	0	0	0	112.2	R42 M43 K48 Y49 I50 D166 D169 L170 E173	R42-L46 HydrophobicContact CG-CD1 3.92Å; R42-L46 HydrophobicContact CG-CG 4.49Å; R42-L46 WeakPolarHBondContact O-CG 3.37Å; R42-L46 PolarHBondContact O-N 3.19Å; M43-L46 PolarHBondContact O-N 2.92Å; L46-K48 PolarHBondContact O-N 3.41Å; L46-Y49 PolarHBondContact O-N 3.4Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 2.66Å; L46-D166 HydrophobicContact CD2-CB 4.25Å; L46-D169 HydrophobicContact CD1-CB 4Å; L46-D169 HydrophobicContact CD2-CB 3.97Å; L46-L170 HydrophobicContact CB-CB 4.12Å; L46-L170 HydrophobicContact CB-CD1 4.25Å; L46-L170 HydrophobicContact CD1-CB 4.17Å; L46-E173 HydrophobicContact CD1-CG 4.38Å
47	R	98.6	Very high	98.3	Very high	130 Å²	130	74.4 Å²	74.4	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-33.2	173.6	-74.6	174.8	-169.9	158.5	5.3	112.7	M43 E45 K51 L170	M43-R47 WeakPolarHBondContact O-CB 3.46Å; M43-R47 VanDerWaalsContact O-CG 3.26Å; M43-R47 WeakPolarHBondContact O-CG 3.19Å; M43-R47 PolarHBondContact O-N 2.98Å; E45-R47 VanDerWaalsContact C-N 3.34Å; E45-R47 PolarHBondContact O-N 3.14Å; R47-K51 WeakPolarHBondContact O-CG 2.87Å; R47-K51 PolarHBondContact O-N 3.06Å; R47-L170 HydrophobicContact CG-CD1 4.16Å; R47-L170 HydrophobicContact CG-CD2 3.85Å
48	K	98.6	Very high	98.4	Very high	128 Å²	128	75 Å²	75	56%	0.557	35%	0.352	S	S	*	.	H	α-helix	trans	-68.9	-48.8	174.4	-178.4	-174.1	171	-171.8	0	110.1	K44 E45 L46 I50 K51 D52	K44-K48 PolarHBondContact O-N 3.03Å; E45-K48 WeakPolarHBondContact O-CA 3.23Å; E45-K48 VanDerWaalsContact O-CB 3.28Å; E45-K48 WeakPolarHBondContact O-CB 3.34Å; E45-K48 PolarHBondContact O-N 2.91Å; L46-K48 PolarHBondContact O-N 3.41Å; K48-I50 VanDerWaalsContact C-N 3.34Å; K48-I50 PolarHBondContact O-N 3.41Å; K48-K51 WeakPolarHBondContact O-CB 3.5Å; K48-K51 PolarHBondContact O-N 3.4Å; K48-K51 VanDerWaalsContact O-N 3.12Å; K48-D52 PolarHBondContact O-N 2.98Å
49	Y	98.6	Very high	98.4	Very high	85 Å²	85	69.8 Å²	69.8	33%	0.333	34%	0.335	S	S	.	.	H	α-helix	trans	-57.1	-46.4	178.3	-64.2	-37.5	0	0	0	112.2	E45 L46 K51 D52 R53 D166	E45-Y49 HydrophobicContact CG-CD2 4.27Å; E45-Y49 HydrophobicContact CG-CE2 3.52Å; E45-Y49 PolarHBondContact O-N 2.72Å; E45-Y49 WeakPolarHBondContact OE1-CE2 3.31Å; E45-Y49 VanDerWaalsContact OE1-CZ 3.31Å; E45-Y49 PolarHBondContact OE1-OH 3.45Å; L46-Y49 PolarHBondContact O-N 3.4Å; Y49-K51 VanDerWaalsContact C-N 3.3Å; Y49-K51 PolarHBondContact O-N 3.4Å; Y49-D52 PolarHBondContact O-N 3.28Å; Y49-D52 VanDerWaalsContact O-N 3.09Å; Y49-R53 VanDerWaalsContact O-CG 3.3Å; Y49-R53 WeakPolarHBondContact O-CG 3.42Å; Y49-R53 PolarHBondContact O-N 3.36Å; Y49-D166 WeakPolarHBondContact CB-OD2 3.36Å
50	I	98.7	Very high	98.5	Very high	23 Å²	23	69.7 Å²	69.7	12%	0.118	34%	0.335	C	S	.	.	H	α-helix	trans	-55.7	-44.6	176.8	-67.1	162.4	0	0	0	111.5	L46 K48 R53 D54 K163 D166 V167 L170	L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 2.66Å; K48-I50 VanDerWaalsContact C-N 3.34Å; K48-I50 PolarHBondContact O-N 3.41Å; I50-R53 PolarHBondContact O-N 3.41Å; I50-D54 PolarHBondContact O-N 3.24Å; I50-K163 HydrophobicContact CG2-CG 4.33Å; I50-D166 HydrophobicContact CD1-CB 4.33Å; I50-D166 HydrophobicContact CG1-CB 3.71Å; I50-V167 HydrophobicContact CD1-CB 4.48Å; I50-V167 HydrophobicContact CD1-CG2 3.74Å; I50-V167 HydrophobicContact CG1-CG2 4.06Å; I50-L170 HydrophobicContact CD1-CB 4.37Å; I50-L170 HydrophobicContact CD1-CD2 3.65Å
51	K	98.7	Very high	98.5	Very high	143 Å²	143	67.2 Å²	67.2	62%	0.622	32%	0.321	S	S	*	.	H	α-helix	trans	-65.9	-39.5	177.3	-72.6	176.3	-179.1	-175.2	0	112.9	R47 K48 Y49 R53 D54 S55	R47-K51 WeakPolarHBondContact O-CG 2.87Å; R47-K51 PolarHBondContact O-N 3.06Å; K48-K51 WeakPolarHBondContact O-CB 3.5Å; K48-K51 PolarHBondContact O-N 3.4Å; K48-K51 VanDerWaalsContact O-N 3.12Å; Y49-K51 VanDerWaalsContact C-N 3.3Å; Y49-K51 PolarHBondContact O-N 3.4Å; K51-R53 VanDerWaalsContact C-N 3.33Å; K51-D54 PolarHBondContact O-N 3.44Å; K51-S55 WeakPolarHBondContact O-CB 3.44Å; K51-S55 PolarHBondContact O-N 3.24Å; K51-S55 PolarHBondContact O-OG 2.9Å
52	D	98.7	Very high	98.4	Very high	80 Å²	80	68.8 Å²	68.8	43%	0.428	32%	0.319	S	S	.	.	H	α-helix	trans	-65.1	-40.7	177.1	-66.6	-15.6	0	0	0	110	K48 Y49 S55 E56	K48-D52 PolarHBondContact O-N 2.98Å; Y49-D52 PolarHBondContact O-N 3.28Å; Y49-D52 VanDerWaalsContact O-N 3.09Å; D52-S55 PolarHBondContact O-N 3.4Å; D52-E56 PolarHBondContact O-N 3.06Å
53	R	98.5	Very high	98.4	Very high	68 Å²	68	69.8 Å²	69.8	26%	0.257	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-46.8	173.3	-61.4	-56.1	176.5	-170	-2.4	112.1	Y49 I50 K51 S55 E56 I57 K163	Y49-R53 VanDerWaalsContact O-CG 3.3Å; Y49-R53 WeakPolarHBondContact O-CG 3.42Å; Y49-R53 PolarHBondContact O-N 3.36Å; I50-R53 PolarHBondContact O-N 3.41Å; K51-R53 VanDerWaalsContact C-N 3.33Å; R53-S55 VanDerWaalsContact C-N 3.27Å; R53-S55 PolarHBondContact O-N 3.34Å; R53-E56 PolarHBondContact O-N 3.23Å; R53-I57 WeakPolarHBondContact O-CD1 3.21Å; R53-I57 VanDerWaalsContact O-CG1 3.26Å; R53-I57 WeakPolarHBondContact O-CG1 3.48Å; R53-I57 PolarHBondContact O-N 2.89Å; R53-K163 HydrophobicContact CB-CB 3.9Å; R53-K163 HydrophobicContact CG-CB 4.16Å
54	D	98.6	Very high	98.3	Very high	65 Å²	65	69.7 Å²	69.7	35%	0.348	33%	0.326	S	S	.	.	H	α-helix	trans	-58.9	-41.4	177.1	-79.7	-28.3	0	0	0	111.7	I50 K51 I57 Q58 K163	I50-D54 PolarHBondContact O-N 3.24Å; K51-D54 PolarHBondContact O-N 3.44Å; D54-I57 PolarHBondContact O-N 3.05Å; D54-Q58 PolarHBondContact O-N 2.91Å; D54-K163 WeakPolarHBondContact OD1-CD 3.39Å; D54-K163 WeakPolarHBondContact OD1-CE 3.48Å; D54-K163 IonicContact OD1-NZ 3.71Å; D54-K163 PolarHBondContact OD1-NZ 3.13Å; D54-K163 IonicContact OD2-NZ 3.37Å
55	S	98.7	Very high	98.1	Very high	79 Å²	79	64.5 Å²	64.5	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-65	-42.2	177.5	-57.2	0	0	0	0	112.1	K51 D52 R53 Q58 S59	K51-S55 WeakPolarHBondContact O-CB 3.44Å; K51-S55 PolarHBondContact O-N 3.24Å; K51-S55 PolarHBondContact O-OG 2.9Å; D52-S55 PolarHBondContact O-N 3.4Å; R53-S55 VanDerWaalsContact C-N 3.27Å; R53-S55 PolarHBondContact O-N 3.34Å; S55-Q58 PolarHBondContact O-N 2.86Å; S55-S59 PolarHBondContact O-N 3.33Å
56	E	98.6	Very high	98	Very high	50 Å²	50	69.8 Å²	69.8	23%	0.234	33%	0.327	C	S	.	.	H	α-helix	trans	-67.9	-42.1	177.6	-175.7	67.9	-179.6	0	0	111.6	D52 R53 Q58 S59 L60 R155 Q159	D52-E56 PolarHBondContact O-N 3.06Å; R53-E56 PolarHBondContact O-N 3.23Å; E56-Q58 VanDerWaalsContact C-N 3.31Å; E56-Q58 PolarHBondContact O-N 3.09Å; E56-S59 PolarHBondContact O-N 3.32Å; E56-L60 HydrophobicContact CG-CD1 3.95Å; E56-L60 HydrophobicContact CG-CG 4.39Å; E56-L60 WeakPolarHBondContact O-CB 3.49Å; E56-L60 VanDerWaalsContact O-CG 3.3Å; E56-L60 WeakPolarHBondContact O-CG 3.12Å; E56-L60 PolarHBondContact O-N 3.21Å; E56-R155 IonicContact OE1-CZ 2.66Å; E56-R155 IonicContact OE1-NH1 2.8Å; E56-R155 PolarHBondContact OE1-NH1 2.66Å; E56-R155 IonicContact OE1-NH2 3.87Å; E56-R155 PolarHBondContact OE1-NH2 3.46Å; E56-Q159 HydrophobicContact CB-CG 4.19Å; E56-Q159 HydrophobicContact CG-CG 3.75Å
57	I	98.6	Very high	97.9	Very high	11 Å²	11	73.9 Å²	73.9	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-56.2	-48.3	174.5	-70	161.5	0	0	0	109.9	R53 D54 L60 R61 I79 I156 Q159 I160 K163	R53-I57 WeakPolarHBondContact O-CD1 3.21Å; R53-I57 VanDerWaalsContact O-CG1 3.26Å; R53-I57 WeakPolarHBondContact O-CG1 3.48Å; R53-I57 PolarHBondContact O-N 2.89Å; D54-I57 PolarHBondContact O-N 3.05Å; I57-L60 PolarHBondContact O-N 3.26Å; I57-R61 VanDerWaalsContact O-CB 3.27Å; I57-R61 WeakPolarHBondContact O-CB 3.39Å; I57-R61 PolarHBondContact O-N 2.92Å; I57-I79 HydrophobicContact CG2-CD1 4.23Å; I57-I79 HydrophobicContact CG2-CG2 4.29Å; I57-I156 HydrophobicContact CG2-CG2 4.42Å; I57-Q159 HydrophobicContact CD1-CB 4.01Å; I57-Q159 HydrophobicContact CG1-CB 3.49Å; I57-Q159 VanDerWaalsContact CG1-CB 3.49Å; I57-Q159 HydrophobicContact CG1-CG 4.35Å; I57-I160 HydrophobicContact CD1-CG1 3.68Å; I57-I160 HydrophobicContact CG1-CG1 4.24Å; I57-K163 HydrophobicContact CD1-CD 4.4Å
58	Q	98.5	Very high	97.7	Very high	88 Å²	88	69.1 Å²	69.1	41%	0.411	35%	0.345	S	S	.	.	H	α-helix	trans	-62.8	-44.6	178.7	-173.6	60.8	41.8	0	0	111.9	D54 S55 E56 L60 R61 D62	D54-Q58 PolarHBondContact O-N 2.91Å; S55-Q58 PolarHBondContact O-N 2.86Å; E56-Q58 VanDerWaalsContact C-N 3.31Å; E56-Q58 PolarHBondContact O-N 3.09Å; Q58-L60 PolarHBondContact O-N 3.11Å; Q58-R61 WeakPolarHBondContact O-CB 3.33Å; Q58-R61 PolarHBondContact O-N 2.65Å; Q58-D62 PolarHBondContact NE2-OD1 3.48Å; Q58-D62 PolarHBondContact NE2-OD2 3.01Å; Q58-D62 VanDerWaalsContact O-CG 3.24Å; Q58-D62 PolarHBondContact O-N 3.36Å
59	S	98.6	Very high	97.4	Very high	46 Å²	46	67 Å²	67	32%	0.322	34%	0.344	S	S	.	.	H	α-helix	trans	-60.6	-43.8	177.6	-171.3	0	0	0	0	112.5	S55 E56 D62 K63	S55-S59 PolarHBondContact O-N 3.33Å; E56-S59 PolarHBondContact O-N 3.32Å; S59-D62 PolarHBondContact O-N 3.49Å; S59-K63 VanDerWaalsContact O-CG 3.32Å; S59-K63 WeakPolarHBondContact O-CG 3.43Å; S59-K63 PolarHBondContact O-N 2.96Å; S59-K63 VanDerWaalsContact O-N 3.11Å
60	L	98.2	Very high	97.2	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-66.6	-43.2	178.1	-71	168.6	0	0	0	111.4	E56 I57 Q58 D62 K63 I64 N152 R155 I156 Q159	E56-L60 HydrophobicContact CG-CD1 3.95Å; E56-L60 HydrophobicContact CG-CG 4.39Å; E56-L60 WeakPolarHBondContact O-CB 3.49Å; E56-L60 VanDerWaalsContact O-CG 3.3Å; E56-L60 WeakPolarHBondContact O-CG 3.12Å; E56-L60 PolarHBondContact O-N 3.21Å; I57-L60 PolarHBondContact O-N 3.26Å; Q58-L60 PolarHBondContact O-N 3.11Å; L60-D62 VanDerWaalsContact C-N 3.34Å; L60-D62 PolarHBondContact O-N 2.99Å; L60-K63 WeakPolarHBondContact O-CB 3.34Å; L60-K63 PolarHBondContact O-N 3.38Å; L60-I64 VanDerWaalsContact O-CG1 3.3Å; L60-I64 WeakPolarHBondContact O-CG1 3.49Å; L60-I64 PolarHBondContact O-N 3.49Å; L60-N152 HydrophobicContact CD2-CB 4.31Å; L60-R155 HydrophobicContact CD1-CB 3.67Å; L60-R155 HydrophobicContact CD2-CB 4.4Å; L60-I156 HydrophobicContact CB-CD1 3.87Å; L60-I156 HydrophobicContact CB-CG1 3.55Å; L60-I156 HydrophobicContact CD1-CG1 3.93Å; L60-I156 HydrophobicContact CG-CG1 4.4Å; L60-Q159 HydrophobicContact CD1-CG 4.32Å
61	R	97.6	Very high	96.8	Very high	44 Å²	44	73.7 Å²	73.7	17%	0.166	38%	0.381	C	S	.	.	H	α-helix	trans	-55.4	-49.6	174.8	177.5	-163.8	173.4	-81.1	-4.1	111	I57 Q58 K63 I64 I65 I75 D76 I79 I156	I57-R61 VanDerWaalsContact O-CB 3.27Å; I57-R61 WeakPolarHBondContact O-CB 3.39Å; I57-R61 PolarHBondContact O-N 2.92Å; Q58-R61 WeakPolarHBondContact O-CB 3.33Å; Q58-R61 PolarHBondContact O-N 2.65Å; R61-K63 VanDerWaalsContact C-N 3.32Å; R61-K63 PolarHBondContact O-N 3.43Å; R61-I64 WeakPolarHBondContact O-CB 3.42Å; R61-I64 PolarHBondContact O-N 2.86Å; R61-I64 VanDerWaalsContact O-N 3.13Å; R61-I65 HydrophobicContact CG-CD1 4.1Å; R61-I65 VanDerWaalsContact NH1-CD1 3.33Å; R61-I65 WeakPolarHBondContact O-CG1 3.34Å; R61-I65 PolarHBondContact O-N 3.38Å; R61-I75 HydrophobicContact CG-CG1 4.36Å; R61-I75 HydrophobicContact CG-CG2 4.24Å; R61-D76 IonicContact CZ-OD1 3.12Å; R61-D76 IonicContact CZ-OD2 3.76Å; R61-D76 IonicContact NE-OD1 2.62Å; R61-D76 PolarHBondContact NE-OD1 3.49Å; R61-D76 IonicContact NE-OD2 3.99Å; R61-D76 IonicContact NH2-OD1 2.8Å; R61-D76 PolarHBondContact NH2-OD1 3.44Å; R61-D76 IonicContact NH2-OD2 2.71Å; R61-D76 PolarHBondContact NH2-OD2 3.46Å; R61-I79 HydrophobicContact CB-CD1 3.95Å; R61-I79 HydrophobicContact CG-CD1 3.85Å; R61-I156 HydrophobicContact CB-CD1 4.35Å
62	D	97.6	Very high	96.6	Very high	75 Å²	75	67.1 Å²	67.1	40%	0.401	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-35.9	-178	-65.9	-19.8	0	0	0	111.9	Q58 S59 L60 K66	Q58-D62 PolarHBondContact NE2-OD1 3.48Å; Q58-D62 PolarHBondContact NE2-OD2 3.01Å; Q58-D62 VanDerWaalsContact O-CG 3.24Å; Q58-D62 PolarHBondContact O-N 3.36Å; S59-D62 PolarHBondContact O-N 3.49Å; L60-D62 VanDerWaalsContact C-N 3.34Å; L60-D62 PolarHBondContact O-N 2.99Å; D62-K66 VanDerWaalsContact O-CB 3.28Å; D62-K66 WeakPolarHBondContact O-CB 3.46Å; D62-K66 PolarHBondContact O-N 3.14Å
63	K	96.9	Very high	96.3	Very high	106 Å²	106	70.5 Å²	70.5	46%	0.461	36%	0.363	S	S	.	.	H	α-helix	trans	-62.9	-41.8	171.9	-72.2	169.2	-171.7	167.2	0	112.1	S59 L60 R61 A67	S59-K63 VanDerWaalsContact O-CG 3.32Å; S59-K63 WeakPolarHBondContact O-CG 3.43Å; S59-K63 PolarHBondContact O-N 2.96Å; S59-K63 VanDerWaalsContact O-N 3.11Å; L60-K63 WeakPolarHBondContact O-CB 3.34Å; L60-K63 PolarHBondContact O-N 3.38Å; R61-K63 VanDerWaalsContact C-N 3.32Å; R61-K63 PolarHBondContact O-N 3.43Å; K63-A67 WeakPolarHBondContact O-CB 3.49Å; K63-A67 PolarHBondContact O-N 3.45Å; K63-A67 VanDerWaalsContact O-N 3.08Å
64	I	96.2	Very high	96.2	Very high	7 Å²	7	69.9 Å²	69.9	4%	0.036	37%	0.365	C	S	.	.	H	α-helix	trans	-64.7	-50.7	178.9	-70.6	166.4	0	0	0	110.7	L60 R61 K66 A67 D68 M72 I75 N152 V153 I156	L60-I64 VanDerWaalsContact O-CG1 3.3Å; L60-I64 WeakPolarHBondContact O-CG1 3.49Å; L60-I64 PolarHBondContact O-N 3.49Å; R61-I64 WeakPolarHBondContact O-CB 3.42Å; R61-I64 PolarHBondContact O-N 2.86Å; R61-I64 VanDerWaalsContact O-N 3.13Å; I64-K66 VanDerWaalsContact C-N 3.28Å; I64-K66 PolarHBondContact O-N 3.18Å; I64-A67 PolarHBondContact O-N 2.93Å; I64-A67 VanDerWaalsContact O-N 3.11Å; I64-D68 PolarHBondContact O-N 3.12Å; I64-M72 HydrophobicContact CG2-CB 3.55Å; I64-M72 HydrophobicContact CG2-CG 3.43Å; I64-M72 VanDerWaalsContact CG2-CG 3.43Å; I64-M72 HydrophobicContact CG2-SD 3.66Å; I64-I75 HydrophobicContact CD1-CD1 4.13Å; I64-I75 HydrophobicContact CG2-CD1 4.5Å; I64-I75 HydrophobicContact CG2-CG1 4.39Å; I64-N152 HydrophobicContact CD1-CB 3.74Å; I64-N152 HydrophobicContact CG1-CB 3.58Å; I64-V153 HydrophobicContact CD1-CG2 3.84Å; I64-I156 HydrophobicContact CD1-CD1 3.5Å
65	I	95.6	Very high	96.1	Very high	53 Å²	53	66.9 Å²	66.9	27%	0.272	35%	0.349	S	S	.	.	H	α-helix	trans	-60.1	-41.7	179.9	-67.9	174.8	0	0	0	110.7	R61 A67 P69 I75	R61-I65 HydrophobicContact CG-CD1 4.1Å; R61-I65 VanDerWaalsContact NH1-CD1 3.33Å; R61-I65 WeakPolarHBondContact O-CG1 3.34Å; R61-I65 PolarHBondContact O-N 3.38Å; I65-A67 VanDerWaalsContact C-N 3.31Å; I65-A67 PolarHBondContact O-N 3.3Å; I65-P69 VanDerWaalsContact O-CA 3.26Å; I65-P69 WeakPolarHBondContact O-CA 3.4Å; I65-P69 WeakPolarHBondContact O-CB 3.45Å; I65-P69 VanDerWaalsContact O-CD 3.24Å; I65-P69 WeakPolarHBondContact O-CD 3.45Å; I65-P69 VanDerWaalsContact O-N 3.13Å; I65-I75 HydrophobicContact CD1-CG2 3.74Å; I65-I75 HydrophobicContact CG1-CG2 3.64Å
66	K	95.8	Very high	96.1	Very high	185 Å²	185	66.5 Å²	66.5	80%	0.804	34%	0.341	S	S	*	.	H	α-helix	trans	-64.8	-35.3	177.7	-175.5	176.1	178.5	179.2	0	112.6	D62 I64	D62-K66 VanDerWaalsContact O-CB 3.28Å; D62-K66 WeakPolarHBondContact O-CB 3.46Å; D62-K66 PolarHBondContact O-N 3.14Å; I64-K66 VanDerWaalsContact C-N 3.28Å; I64-K66 PolarHBondContact O-N 3.18Å
67	A	95.5	Very high	96	Very high	85 Å²	85	68.7 Å²	68.7	70%	0.702	35%	0.351	S	S	*	.	H	α-helix	trans	-76.8	-40	-177	0	0	0	0	0	113.1	K63 I64 I65	K63-A67 WeakPolarHBondContact O-CB 3.49Å; K63-A67 PolarHBondContact O-N 3.45Å; K63-A67 VanDerWaalsContact O-N 3.08Å; I64-A67 PolarHBondContact O-N 2.93Å; I64-A67 VanDerWaalsContact O-N 3.11Å; I65-A67 VanDerWaalsContact C-N 3.31Å; I65-A67 PolarHBondContact O-N 3.3Å
68	D	94.4	Very high	95.9	Very high	31 Å²	31	68.2 Å²	68.2	17%	0.166	35%	0.348	C	S	.	.			trans	-149.2	75.1	179.8	-170.1	-11.3	0	0	0	111.7	I64 S70 R71 M72 Y148	I64-D68 PolarHBondContact O-N 3.12Å; D68-S70 PolarHBondContact O-N 2.97Å; D68-S70 PolarHBondContact OD1-OG 3.36Å; D68-R71 PolarHBondContact O-N 3.21Å; D68-R71 WeakPolarHBondContact OD1-CB 3.37Å; D68-R71 WeakPolarHBondContact OD1-CG 3.49Å; D68-R71 PolarHBondContact OD1-N 3.25Å; D68-R71 VanDerWaalsContact OD1-N 3.08Å; D68-R71 VanDerWaalsContact OD2-CB 3.25Å; D68-R71 WeakPolarHBondContact OD2-CB 3.3Å; D68-R71 WeakPolarHBondContact OD2-CD 3.38Å; D68-R71 VanDerWaalsContact OD2-CG 3.26Å; D68-R71 WeakPolarHBondContact OD2-CG 3.48Å; D68-R71 IonicContact OD2-NE 3.99Å; D68-M72 HydrophobicContact CB-CG 4.31Å; D68-M72 VanDerWaalsContact O-CB 3.23Å; D68-M72 WeakPolarHBondContact O-CB 3.29Å; D68-M72 PolarHBondContact O-N 2.83Å; D68-Y148 PolarHBondContact OD2-OH 2.71Å
69	P	92.9	Very high	95.8	Very high	83 Å²	83	65 Å²	65	54%	0.539	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-31	-173.1	23.1	-32.5	0	0	0	112.6	I65 K73	I65-P69 VanDerWaalsContact O-CA 3.26Å; I65-P69 WeakPolarHBondContact O-CA 3.4Å; I65-P69 WeakPolarHBondContact O-CB 3.45Å; I65-P69 VanDerWaalsContact O-CD 3.24Å; I65-P69 WeakPolarHBondContact O-CD 3.45Å; I65-P69 VanDerWaalsContact O-N 3.13Å; P69-K73 PolarHBondContact O-N 2.96Å
70	S	93.6	Very high	95.7	Very high	87 Å²	87	68.9 Å²	68.9	61%	0.608	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-45.3	-175.9	70.2	0	0	0	0	113	D68	D68-S70 PolarHBondContact O-N 2.97Å; D68-S70 PolarHBondContact OD1-OG 3.36Å
71	R	91	Very high	95.5	Very high	162 Å²	162	69.8 Å²	69.8	61%	0.611	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-26.9	-177.8	-56.8	-169.9	-179.1	175.4	-4.7	111.7	D68 P147 Y148	D68-R71 PolarHBondContact O-N 3.21Å; D68-R71 WeakPolarHBondContact OD1-CB 3.37Å; D68-R71 WeakPolarHBondContact OD1-CG 3.49Å; D68-R71 PolarHBondContact OD1-N 3.25Å; D68-R71 VanDerWaalsContact OD1-N 3.08Å; D68-R71 VanDerWaalsContact OD2-CB 3.25Å; D68-R71 WeakPolarHBondContact OD2-CB 3.3Å; D68-R71 WeakPolarHBondContact OD2-CD 3.38Å; D68-R71 VanDerWaalsContact OD2-CG 3.26Å; D68-R71 WeakPolarHBondContact OD2-CG 3.48Å; D68-R71 IonicContact OD2-NE 3.99Å; R71-P147 HydrophobicContact CB-CG 4.1Å; R71-P147 WeakPolarHBondContact O-CD 3.47Å; R71-P147 VanDerWaalsContact O-CG 3.31Å; R71-P147 WeakPolarHBondContact O-CG 3.4Å; R71-Y148 HydrophobicContact CB-CE1 4.1Å
72	M	94.5	Very high	95.3	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.025	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	20.4	-179.3	-63.5	-75.7	175.8	0	0	113.4	I64 D68 N74 I75 I146 Y148 T150 V153	I64-M72 HydrophobicContact CG2-CB 3.55Å; I64-M72 HydrophobicContact CG2-CG 3.43Å; I64-M72 VanDerWaalsContact CG2-CG 3.43Å; I64-M72 HydrophobicContact CG2-SD 3.66Å; D68-M72 HydrophobicContact CB-CG 4.31Å; D68-M72 VanDerWaalsContact O-CB 3.23Å; D68-M72 WeakPolarHBondContact O-CB 3.29Å; D68-M72 PolarHBondContact O-N 2.83Å; M72-N74 PolarHBondContact O-N 3.49Å; M72-N74 VanDerWaalsContact O-N 3.1Å; M72-I75 WeakPolarHBondContact O-CB 3.33Å; M72-I75 WeakPolarHBondContact O-CG2 3.4Å; M72-I75 PolarHBondContact O-N 2.98Å; M72-I75 VanDerWaalsContact O-N 3.13Å; M72-I146 HydrophobicContact CE-CG2 3.91Å; M72-I146 HydrophobicContact SD-CG2 3.62Å; M72-Y148 HydrophobicContact CE-CD1 4.38Å; M72-Y148 HydrophobicContact CE-CD2 3.68Å; M72-Y148 HydrophobicContact CE-CE1 3.98Å; M72-Y148 HydrophobicContact CE-CE2 3.21Å; M72-Y148 HydrophobicContact CE-CG 4.24Å; M72-T150 HydrophobicContact CE-CG2 3.9Å; M72-V153 HydrophobicContact CE-CG2 4.39Å; M72-V153 HydrophobicContact SD-CG2 4.46Å
73	K	92.7	Very high	95.2	Very high	150 Å²	150	65.3 Å²	65.3	65%	0.652	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.8	-179.8	66.9	177.3	-173.7	177.2	0	114.2	P69	P69-K73 PolarHBondContact O-N 2.96Å
74	N	96.3	Very high	95	Very high	56 Å²	56	63.4 Å²	63.4	30%	0.299	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	12.2	-177.4	-67.3	-11.1	0	0	0	113.6	M72 D76 E77 F78 L145	M72-N74 PolarHBondContact O-N 3.49Å; M72-N74 VanDerWaalsContact O-N 3.1Å; N74-D76 PolarHBondContact O-N 3.33Å; N74-E77 VanDerWaalsContact C-OE2 3.32Å; N74-E77 WeakPolarHBondContact CA-OE2 3.46Å; N74-E77 PolarHBondContact O-N 3.29Å; N74-F78 PolarHBondContact O-N 3.39Å; N74-L145 WeakPolarHBondContact CB-O 3.28Å; N74-L145 PolarHBondContact ND2-O 3.25Å; N74-L145 VanDerWaalsContact ND2-O 3.17Å
75	I	97.1	Very high	94.8	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-30.7	-176.6	-169.3	62.4	0	0	0	112.6	R61 I64 I65 M72 F78 I79 I146 V153 I156	R61-I75 HydrophobicContact CG-CG1 4.36Å; R61-I75 HydrophobicContact CG-CG2 4.24Å; I64-I75 HydrophobicContact CD1-CD1 4.13Å; I64-I75 HydrophobicContact CG2-CD1 4.5Å; I64-I75 HydrophobicContact CG2-CG1 4.39Å; I65-I75 HydrophobicContact CD1-CG2 3.74Å; I65-I75 HydrophobicContact CG1-CG2 3.64Å; M72-I75 WeakPolarHBondContact O-CB 3.33Å; M72-I75 WeakPolarHBondContact O-CG2 3.4Å; M72-I75 PolarHBondContact O-N 2.98Å; M72-I75 VanDerWaalsContact O-N 3.13Å; I75-F78 HydrophobicContact CD1-CD1 3.85Å; I75-I79 HydrophobicContact CG1-CD1 4.11Å; I75-I79 VanDerWaalsContact O-CG1 3.27Å; I75-I79 WeakPolarHBondContact O-CG1 3.33Å; I75-I79 PolarHBondContact O-N 3.27Å; I75-I146 HydrophobicContact CB-CD1 4.28Å; I75-I146 HydrophobicContact CD1-CD1 3.87Å; I75-V153 HydrophobicContact CD1-CG2 4.44Å; I75-I156 HydrophobicContact CD1-CD1 4.32Å
76	D	97.6	Very high	94.7	Very high	72 Å²	72	62.3 Å²	62.3	39%	0.385	32%	0.315	S	S	.	.	H	α-helix	trans	-68	-47.3	175.9	-75.3	-37	0	0	0	112.2	R61 N74 F78 I79 K80	R61-D76 IonicContact CZ-OD1 3.12Å; R61-D76 IonicContact CZ-OD2 3.76Å; R61-D76 IonicContact NE-OD1 2.62Å; R61-D76 PolarHBondContact NE-OD1 3.49Å; R61-D76 IonicContact NE-OD2 3.99Å; R61-D76 IonicContact NH2-OD1 2.8Å; R61-D76 PolarHBondContact NH2-OD1 3.44Å; R61-D76 IonicContact NH2-OD2 2.71Å; R61-D76 PolarHBondContact NH2-OD2 3.46Å; N74-D76 PolarHBondContact O-N 3.33Å; D76-F78 VanDerWaalsContact C-N 3.28Å; D76-F78 PolarHBondContact O-N 2.97Å; D76-I79 PolarHBondContact O-N 3.38Å; D76-K80 VanDerWaalsContact O-CB 3.29Å; D76-K80 WeakPolarHBondContact O-CB 3.34Å; D76-K80 PolarHBondContact O-N 3.1Å
77	E	96.5	Very high	94.5	Very high	95 Å²	95	55.9 Å²	55.9	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-61.9	-39.2	176.1	-67	83.7	175.3	0	0	110.9	N74 K80 C81 L145	N74-E77 VanDerWaalsContact C-OE2 3.32Å; N74-E77 WeakPolarHBondContact CA-OE2 3.46Å; N74-E77 PolarHBondContact O-N 3.29Å; E77-K80 PolarHBondContact O-N 3.15Å; E77-C81 WeakPolarHBondContact O-CB 3.42Å; E77-C81 PolarHBondContact O-N 2.8Å; E77-L145 HydrophobicContact CB-CD1 4.08Å
78	F	96.4	Very high	94.2	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-53.6	173.3	168.6	-100.4	0	0	0	112.2	N74 I75 D76 K80 C81 Q82 C142 L145 I146 V153 I156	N74-F78 PolarHBondContact O-N 3.39Å; I75-F78 HydrophobicContact CD1-CD1 3.85Å; D76-F78 VanDerWaalsContact C-N 3.28Å; D76-F78 PolarHBondContact O-N 2.97Å; F78-K80 VanDerWaalsContact C-N 3.29Å; F78-K80 PolarHBondContact O-N 3.43Å; F78-C81 PolarHBondContact O-N 2.59Å; F78-Q82 HydrophobicContact CD2-CG 4.14Å; F78-Q82 HydrophobicContact CE1-CG 4.16Å; F78-Q82 HydrophobicContact CE2-CG 3.75Å; F78-Q82 HydrophobicContact CZ-CG 3.76Å; F78-Q82 WeakPolarHBondContact O-CB 3.35Å; F78-Q82 VanDerWaalsContact O-CG 3.28Å; F78-Q82 WeakPolarHBondContact O-CG 3.19Å; F78-Q82 PolarHBondContact O-N 3.45Å; F78-C142 WeakPolarHBondContact CD2-O 3.4Å; F78-L145 HydrophobicContact CB-CB 4.3Å; F78-I146 HydrophobicContact CB-CD1 3.61Å; F78-I146 HydrophobicContact CB-CG1 3.62Å; F78-I146 HydrophobicContact CD1-CG1 4.23Å; F78-I146 HydrophobicContact CD2-CG1 3.72Å; F78-I146 HydrophobicContact CE2-CG1 4.46Å; F78-I146 HydrophobicContact CG-CD1 4.04Å; F78-I146 HydrophobicContact CG-CG1 3.58Å; F78-V153 HydrophobicContact CE1-CG1 4.1Å; F78-V153 HydrophobicContact CZ-CG1 4Å; F78-I156 HydrophobicContact CE1-CG2 4.02Å
79	I	97.5	Very high	94	Very high	20 Å²	20	54.5 Å²	54.5	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-43.3	179.7	-71	166.8	0	0	0	110.2	I57 R61 I75 D76 Q82 N83 I156 I160	I57-I79 HydrophobicContact CG2-CD1 4.23Å; I57-I79 HydrophobicContact CG2-CG2 4.29Å; R61-I79 HydrophobicContact CB-CD1 3.95Å; R61-I79 HydrophobicContact CG-CD1 3.85Å; I75-I79 HydrophobicContact CG1-CD1 4.11Å; I75-I79 VanDerWaalsContact O-CG1 3.27Å; I75-I79 WeakPolarHBondContact O-CG1 3.33Å; I75-I79 PolarHBondContact O-N 3.27Å; D76-I79 PolarHBondContact O-N 3.38Å; I79-Q82 PolarHBondContact O-N 3.25Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.45Å; I79-N83 WeakPolarHBondContact O-CB 3.31Å; I79-N83 PolarHBondContact O-N 3.47Å; I79-N83 PolarHBondContact O-ND2 2.95Å; I79-I156 HydrophobicContact CD1-CD1 4.29Å; I79-I156 HydrophobicContact CD1-CG2 4.41Å; I79-I156 HydrophobicContact CG1-CG2 3.87Å; I79-I160 HydrophobicContact CG2-CD1 4.26Å
80	K	95.4	Very high	94	Very high	129 Å²	129	50.8 Å²	50.8	56%	0.561	24%	0.239	S	C	*	.	H	α-helix	trans	-61.6	-49	177.8	-178.6	-178.7	171.8	-175.1	0	111.4	D76 E77 F78 Q82 N83 E84	D76-K80 VanDerWaalsContact O-CB 3.29Å; D76-K80 WeakPolarHBondContact O-CB 3.34Å; D76-K80 PolarHBondContact O-N 3.1Å; E77-K80 PolarHBondContact O-N 3.15Å; F78-K80 VanDerWaalsContact C-N 3.29Å; F78-K80 PolarHBondContact O-N 3.43Å; K80-Q82 VanDerWaalsContact C-N 3.34Å; K80-Q82 PolarHBondContact O-N 3.12Å; K80-N83 PolarHBondContact O-N 3Å; K80-E84 WeakPolarHBondContact CE-OE1 3.09Å; K80-E84 IonicContact NZ-OE1 3.95Å; K80-E84 WeakPolarHBondContact O-CG 3.03Å; K80-E84 PolarHBondContact O-N 3.47Å
81	C	94.1	Very high	93.8	Very high	18 Å²	18	46.8 Å²	46.8	12%	0.122	21%	0.211	C	C	.	.	H	α-helix	trans	-58.8	-46.3	178.8	-171.5	0	0	0	0	111.4	E77 F78 N83 E84 Y85 M133 C142 L145	E77-C81 WeakPolarHBondContact O-CB 3.42Å; E77-C81 PolarHBondContact O-N 2.8Å; F78-C81 PolarHBondContact O-N 2.59Å; C81-N83 PolarHBondContact O-N 3.36Å; C81-E84 PolarHBondContact O-N 3.3Å; C81-Y85 PolarHBondContact O-N 2.9Å; C81-M133 HydrophobicContact CB-CE 4.45Å; C81-M133 VanDerWaalsContact O-SD 3.4Å; C81-C142 HydrophobicContact CB-CB 3.69Å; C81-C142 WeakPolarHBondContact CB-SG 3.32Å; C81-C142 WeakPolarHBondContact SG-CA 3.18Å; C81-C142 WeakPolarHBondContact SG-CB 3.49Å; C81-C142 CovalentContact SG-SG 2.03Å; C81-C142 PolarHBondContact SG-SG 2.9Å; C81-L145 HydrophobicContact CB-CD1 3.94Å
82	Q	94.8	Very high	93.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-45.4	175.3	-74.7	-76.7	17.4	0	0	112.4	F78 I79 K80 Y85 W86 C142 D157 I160	F78-Q82 HydrophobicContact CD2-CG 4.14Å; F78-Q82 HydrophobicContact CE1-CG 4.16Å; F78-Q82 HydrophobicContact CE2-CG 3.75Å; F78-Q82 HydrophobicContact CZ-CG 3.76Å; F78-Q82 WeakPolarHBondContact O-CB 3.35Å; F78-Q82 VanDerWaalsContact O-CG 3.28Å; F78-Q82 WeakPolarHBondContact O-CG 3.19Å; F78-Q82 PolarHBondContact O-N 3.45Å; I79-Q82 PolarHBondContact O-N 3.25Å; K80-Q82 VanDerWaalsContact C-N 3.34Å; K80-Q82 PolarHBondContact O-N 3.12Å; Q82-Y85 PolarHBondContact O-N 3.32Å; Q82-W86 PolarHBondContact O-N 2.93Å; Q82-C142 HydrophobicContact CG-CB 4.33Å; Q82-D157 PolarHBondContact NE2-OD1 3.36Å; Q82-I160 HydrophobicContact CB-CD1 3.61Å; Q82-I160 HydrophobicContact CB-CG2 4.25Å; Q82-I160 HydrophobicContact CG-CD1 4.35Å
83	N	94.7	Very high	93.5	Very high	26 Å²	26	46 Å²	46	14%	0.139	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-47	175.6	-84.5	-79	0	0	0	111.7	I79 K80 C81 Y85 W86 I87 Y164	I79-N83 WeakPolarHBondContact CG2-ND2 3.45Å; I79-N83 WeakPolarHBondContact O-CB 3.31Å; I79-N83 PolarHBondContact O-N 3.47Å; I79-N83 PolarHBondContact O-ND2 2.95Å; K80-N83 PolarHBondContact O-N 3Å; C81-N83 PolarHBondContact O-N 3.36Å; N83-Y85 VanDerWaalsContact C-N 3.33Å; N83-Y85 PolarHBondContact O-N 2.84Å; N83-W86 PolarHBondContact O-N 3.46Å; N83-I87 WeakPolarHBondContact O-CB 3.45Å; N83-I87 WeakPolarHBondContact O-CG1 3.38Å; N83-I87 PolarHBondContact O-N 3.46Å; N83-Y164 HydrophobicContact CB-CE2 4.29Å; N83-Y164 VanDerWaalsContact OD1-CE2 3.23Å; N83-Y164 WeakPolarHBondContact OD1-CE2 3.3Å; N83-Y164 PolarHBondContact OD1-OH 3.14Å
84	E	92.2	Very high	93.5	Very high	65 Å²	65	38.9 Å²	38.9	30%	0.304	19%	0.185	S	C	.	.	H	α-helix	trans	-62	-39.6	-179.6	-74.5	176.6	-177.8	0	0	112.1	K80 C81 S88 T130 M133	K80-E84 WeakPolarHBondContact CE-OE1 3.09Å; K80-E84 IonicContact NZ-OE1 3.95Å; K80-E84 WeakPolarHBondContact O-CG 3.03Å; K80-E84 PolarHBondContact O-N 3.47Å; C81-E84 PolarHBondContact O-N 3.3Å; E84-S88 PolarHBondContact O-N 3.41Å; E84-S88 VanDerWaalsContact O-N 3.16Å; E84-T130 HydrophobicContact CB-CG2 4.4Å; E84-T130 WeakPolarHBondContact O-CG2 3.48Å; E84-M133 HydrophobicContact CB-CE 3.91Å; E84-M133 HydrophobicContact CB-CG 4.48Å; E84-M133 HydrophobicContact CB-SD 3.34Å; E84-M133 WeakPolarHBondContact CB-SD 3.49Å; E84-M133 WeakPolarHBondContact OE2-CE 3.22Å
85	Y	92.4	Very high	93.2	Very high	8 Å²	8	37.7 Å²	37.7	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-58.8	-53	171.9	172.4	-97.3	0	0	0	111.8	C81 Q82 N83 I87 S88 R89 M133 L139	C81-Y85 PolarHBondContact O-N 2.9Å; Q82-Y85 PolarHBondContact O-N 3.32Å; N83-Y85 VanDerWaalsContact C-N 3.33Å; N83-Y85 PolarHBondContact O-N 2.84Å; Y85-I87 PolarHBondContact O-N 3.07Å; Y85-S88 WeakPolarHBondContact O-CB 3.44Å; Y85-S88 PolarHBondContact O-N 2.98Å; Y85-R89 HydrophobicContact CD1-CG 4.32Å; Y85-R89 HydrophobicContact CD2-CG 4.45Å; Y85-R89 HydrophobicContact CE1-CG 3.86Å; Y85-R89 HydrophobicContact CE2-CG 4.01Å; Y85-R89 WeakPolarHBondContact O-CG 3.45Å; Y85-R89 PolarHBondContact O-N 3.4Å; Y85-M133 WeakPolarHBondContact CD2-O 3.35Å; Y85-M133 PolarHBondContact N-SD 3.43Å; Y85-L139 HydrophobicContact CD1-CD1 4.07Å; Y85-L139 HydrophobicContact CD2-CB 4.11Å; Y85-L139 HydrophobicContact CE1-CB 4.42Å; Y85-L139 HydrophobicContact CE1-CD1 4.34Å; Y85-L139 HydrophobicContact CE1-CD2 3.96Å; Y85-L139 HydrophobicContact CE1-CG 4.49Å; Y85-L139 HydrophobicContact CE2-CB 3.99Å; Y85-L139 HydrophobicContact CG-CB 4.37Å; Y85-L139 HydrophobicContact CG-CD1 4.38Å
86	W	93.6	Very high	93	Very high	29 Å²	29	40.6 Å²	40.6	11%	0.11	20%	0.201	C	C	.	.	H	α-helix	trans	-70.7	-29.9	-176.6	-76.1	111.1	0	0	0	113.5	Q82 N83 R89 T90 I160 Y161 Y164	Q82-W86 PolarHBondContact O-N 2.93Å; N83-W86 PolarHBondContact O-N 3.46Å; W86-R89 HydrophobicContact CE3-CB 4.24Å; W86-T90 WeakPolarHBondContact O-CB 3.26Å; W86-T90 PolarHBondContact O-N 3.02Å; W86-T90 PolarHBondContact O-OG1 2.67Å; W86-I160 HydrophobicContact CG-CG2 4.28Å; W86-Y161 HydrophobicContact CD2-CD2 4.46Å; W86-Y161 HydrophobicContact CE3-CD2 4.26Å; W86-Y161 AromaticContact CH2-CD2 3.29Å; W86-Y161 HydrophobicContact CH2-CD2 3.29Å; W86-Y161 AromaticContact CH2-CE2 3.7Å; W86-Y161 HydrophobicContact CH2-CE2 3.7Å; W86-Y161 HydrophobicContact CH2-CG 4.4Å; W86-Y161 AromaticContact CZ2-CD2 3.5Å; W86-Y161 HydrophobicContact CZ2-CD2 3.5Å; W86-Y161 HydrophobicContact CZ2-CE2 4.33Å; W86-Y161 HydrophobicContact CZ2-CG 4.23Å; W86-Y161 AromaticContact CZ3-CD2 3.69Å; W86-Y161 HydrophobicContact CZ3-CD2 3.69Å; W86-Y161 AromaticContact CZ3-CE2 3.97Å; W86-Y161 HydrophobicContact CZ3-CE2 3.97Å; W86-Y164 HydrophobicContact CB-CD1 4.28Å; W86-Y164 HydrophobicContact CB-CD2 3.19Å; W86-Y164 HydrophobicContact CB-CE2 3.78Å; W86-Y164 HydrophobicContact CB-CG 3.5Å; W86-Y164 VanDerWaalsContact CB-CG 3.5Å; W86-Y164 HydrophobicContact CG-CD2 4.04Å; W86-Y164 HydrophobicContact CG-CG 4.47Å
87	I	91.9	Very high	92.7	Very high	50 Å²	50	38.3 Å²	38.3	26%	0.256	19%	0.192	S	C	.	.	H	α-helix	trans	-58.5	-49.6	168.8	-72.1	163.7	0	0	0	110	N83 Y85 T90 A91 K126 T130 Y164	N83-I87 WeakPolarHBondContact O-CB 3.45Å; N83-I87 WeakPolarHBondContact O-CG1 3.38Å; N83-I87 PolarHBondContact O-N 3.46Å; Y85-I87 PolarHBondContact O-N 3.07Å; I87-T90 PolarHBondContact O-N 3.16Å; I87-A91 WeakPolarHBondContact O-CB 3.3Å; I87-A91 PolarHBondContact O-N 3.25Å; I87-K126 HydrophobicContact CG2-CB 4.48Å; I87-T130 HydrophobicContact CB-CG2 4.09Å; I87-T130 HydrophobicContact CG2-CG2 3.75Å; I87-Y164 HydrophobicContact CB-CE1 4.33Å; I87-Y164 HydrophobicContact CD1-CE1 4.45Å; I87-Y164 WeakPolarHBondContact CD1-OH 3.38Å; I87-Y164 HydrophobicContact CG1-CD1 4.43Å; I87-Y164 HydrophobicContact CG1-CE1 3.38Å; I87-Y164 VanDerWaalsContact CG1-CZ 3.49Å; I87-Y164 VanDerWaalsContact CG1-OH 3.23Å; I87-Y164 WeakPolarHBondContact CG1-OH 3.27Å
88	S	89.2	Confident	92.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-49.2	-178.4	-152.2	0	0	0	0	111.5	E84 Y85 A91 I92 T130 R134	E84-S88 PolarHBondContact O-N 3.41Å; E84-S88 VanDerWaalsContact O-N 3.16Å; Y85-S88 WeakPolarHBondContact O-CB 3.44Å; Y85-S88 PolarHBondContact O-N 2.98Å; S88-A91 PolarHBondContact O-N 3.44Å; S88-I92 WeakPolarHBondContact O-CG1 3.28Å; S88-I92 PolarHBondContact O-N 2.89Å; S88-T130 VanDerWaalsContact CA-OG1 3.22Å; S88-T130 WeakPolarHBondContact CA-OG1 3.08Å; S88-T130 WeakPolarHBondContact CB-OG1 3.46Å; S88-T130 PolarHBondContact OG-O 3.03Å; S88-T130 VanDerWaalsContact OG-O 3.11Å; S88-T130 PolarHBondContact OG-OG1 2.89Å; S88-R134 WeakPolarHBondContact OG-CG 3.32Å
89	R	89.5	Confident	92.2	Very high	88 Å²	88	37.7 Å²	37.7	33%	0.332	19%	0.19	S	C	.	.	H	α-helix	trans	-60.3	-47.8	177.6	-75.6	-90	-61.5	176.1	3.1	112.1	Y85 W86 I92 Q93	Y85-R89 HydrophobicContact CD1-CG 4.32Å; Y85-R89 HydrophobicContact CD2-CG 4.45Å; Y85-R89 HydrophobicContact CE1-CG 3.86Å; Y85-R89 HydrophobicContact CE2-CG 4.01Å; Y85-R89 WeakPolarHBondContact O-CG 3.45Å; Y85-R89 PolarHBondContact O-N 3.4Å; W86-R89 HydrophobicContact CE3-CB 4.24Å; R89-I92 PolarHBondContact O-N 3.47Å; R89-Q93 WeakPolarHBondContact O-CG 3.44Å; R89-Q93 PolarHBondContact O-N 3.02Å; R89-Q93 VanDerWaalsContact O-N 3.16Å
90	T	92.1	Very high	92	Very high	4 Å²	4	41 Å²	41	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-44.3	-178.8	-62.5	0	0	0	0	111.1	W86 I87 I92 Q93 V94 Y164 V167 K168	W86-T90 WeakPolarHBondContact O-CB 3.26Å; W86-T90 PolarHBondContact O-N 3.02Å; W86-T90 PolarHBondContact O-OG1 2.67Å; I87-T90 PolarHBondContact O-N 3.16Å; T90-I92 VanDerWaalsContact C-N 3.29Å; T90-I92 PolarHBondContact O-N 3.13Å; T90-Q93 PolarHBondContact O-N 3.32Å; T90-Q93 VanDerWaalsContact O-N 3.09Å; T90-V94 HydrophobicContact CG2-CG2 4.01Å; T90-V94 WeakPolarHBondContact O-CG2 3.34Å; T90-V94 PolarHBondContact O-N 2.7Å; T90-Y164 WeakPolarHBondContact OG1-CB 3.32Å; T90-V167 HydrophobicContact CG2-CG1 4.28Å; T90-K168 HydrophobicContact CG2-CB 3.67Å; T90-K168 HydrophobicContact CG2-CG 4.28Å
91	A	90.5	Very high	91.8	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.025	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-38.9	179.1	0	0	0	0	0	112.3	I87 S88 S95 I123 K126 A127	I87-A91 WeakPolarHBondContact O-CB 3.3Å; I87-A91 PolarHBondContact O-N 3.25Å; S88-A91 PolarHBondContact O-N 3.44Å; A91-S95 WeakPolarHBondContact O-CB 3.47Å; A91-S95 PolarHBondContact O-N 3.44Å; A91-I123 HydrophobicContact CB-CG2 4.23Å; A91-I123 WeakPolarHBondContact O-CG2 3.44Å; A91-K126 HydrophobicContact CB-CB 4.03Å; A91-A127 HydrophobicContact CB-CB 3.7Å
92	I	88.1	Confident	91.7	Very high	73 Å²	73	36.8 Å²	36.8	37%	0.374	19%	0.189	S	C	.	.	H	α-helix	trans	-62.8	-46.1	174.3	-66.2	165.3	0	0	0	110.8	S88 R89 T90 S95 S96 R134	S88-I92 WeakPolarHBondContact O-CG1 3.28Å; S88-I92 PolarHBondContact O-N 2.89Å; R89-I92 PolarHBondContact O-N 3.47Å; T90-I92 VanDerWaalsContact C-N 3.29Å; T90-I92 PolarHBondContact O-N 3.13Å; I92-S95 WeakPolarHBondContact O-CB 3.5Å; I92-S95 PolarHBondContact O-N 3.32Å; I92-S96 PolarHBondContact O-N 2.94Å; I92-S96 VanDerWaalsContact O-N 3.1Å; I92-S96 PolarHBondContact O-OG 3.49Å; I92-R134 HydrophobicContact CD1-CG 4.18Å
93	Q	91.6	Very high	91.6	Very high	78 Å²	78	42.9 Å²	42.9	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-64	-44.2	-179.9	-68.8	176.6	-20.7	0	0	112.3	R89 T90 S95 S96 A97 K168	R89-Q93 WeakPolarHBondContact O-CG 3.44Å; R89-Q93 PolarHBondContact O-N 3.02Å; R89-Q93 VanDerWaalsContact O-N 3.16Å; T90-Q93 PolarHBondContact O-N 3.32Å; T90-Q93 VanDerWaalsContact O-N 3.09Å; Q93-S95 VanDerWaalsContact C-N 3.33Å; Q93-S96 PolarHBondContact O-N 2.85Å; Q93-A97 WeakPolarHBondContact O-CB 3.14Å; Q93-A97 PolarHBondContact O-N 3.37Å; Q93-K168 HydrophobicContact CB-CD 4.1Å; Q93-K168 HydrophobicContact CB-CG 4.4Å
94	V	92.9	Very high	91.6	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-41.4	176.3	175.5	0	0	0	0	110.3	T90 S96 A97 T98 I123 K168 D171 I175	T90-V94 HydrophobicContact CG2-CG2 4.01Å; T90-V94 WeakPolarHBondContact O-CG2 3.34Å; T90-V94 PolarHBondContact O-N 2.7Å; V94-S96 PolarHBondContact O-N 3.09Å; V94-A97 PolarHBondContact O-N 3.12Å; V94-T98 WeakPolarHBondContact O-CB 3.39Å; V94-T98 PolarHBondContact O-N 3.38Å; V94-T98 PolarHBondContact O-OG1 2.95Å; V94-I123 HydrophobicContact CG1-CD1 3.7Å; V94-I123 HydrophobicContact CG1-CG1 3.94Å; V94-K168 HydrophobicContact CG2-CB 4.27Å; V94-K168 HydrophobicContact CG2-CG 3.78Å; V94-D171 HydrophobicContact CG1-CB 3.88Å; V94-D171 HydrophobicContact CG2-CB 3.93Å; V94-I175 HydrophobicContact CG1-CD1 4.16Å
95	S	90.1	Very high	91.6	Very high	31 Å²	31	44.7 Å²	44.7	22%	0.217	23%	0.226	C	C	.	.	H	α-helix	trans	-57.9	-49.3	176.6	179.1	0	0	0	0	111.6	A91 I92 Q93 A97 T98 Q99	A91-S95 WeakPolarHBondContact O-CB 3.47Å; A91-S95 PolarHBondContact O-N 3.44Å; I92-S95 WeakPolarHBondContact O-CB 3.5Å; I92-S95 PolarHBondContact O-N 3.32Å; Q93-S95 VanDerWaalsContact C-N 3.33Å; S95-A97 PolarHBondContact O-N 3.2Å; S95-T98 PolarHBondContact O-N 3.37Å; S95-Q99 WeakPolarHBondContact O-CG 3.44Å; S95-Q99 PolarHBondContact O-N 3.18Å; S95-Q99 VanDerWaalsContact O-N 3.15Å
96	S	91.1	Very high	91.6	Very high	61 Å²	61	48.1 Å²	48.1	43%	0.427	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-41.8	176.8	-59.3	0	0	0	0	112.7	I92 Q93 V94 T98 Q99 N100	I92-S96 PolarHBondContact O-N 2.94Å; I92-S96 VanDerWaalsContact O-N 3.1Å; I92-S96 PolarHBondContact O-OG 3.49Å; Q93-S96 PolarHBondContact O-N 2.85Å; V94-S96 PolarHBondContact O-N 3.09Å; S96-T98 VanDerWaalsContact C-N 3.34Å; S96-T98 PolarHBondContact O-N 2.99Å; S96-Q99 PolarHBondContact O-N 3.16Å; S96-N100 PolarHBondContact O-N 3.48Å
97	A	92.6	Very high	91.6	Very high	24 Å²	24	50.7 Å²	50.7	20%	0.198	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-39.4	177.4	0	0	0	0	0	112.2	Q93 V94 S95 N100 L101 I172	Q93-A97 WeakPolarHBondContact O-CB 3.14Å; Q93-A97 PolarHBondContact O-N 3.37Å; V94-A97 PolarHBondContact O-N 3.12Å; S95-A97 PolarHBondContact O-N 3.2Å; A97-N100 PolarHBondContact O-N 3.23Å; A97-L101 WeakPolarHBondContact O-CB 3.26Å; A97-L101 WeakPolarHBondContact O-CG 3.27Å; A97-L101 PolarHBondContact O-N 2.98Å; A97-I172 HydrophobicContact CB-CD1 3.59Å; A97-I172 HydrophobicContact CB-CG1 3.92Å
98	T	90.9	Very high	91.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-45.9	177.9	-57.1	0	0	0	0	111.3	V94 S95 S96 N100 L101 Q102 W119 I123 I175	V94-T98 WeakPolarHBondContact O-CB 3.39Å; V94-T98 PolarHBondContact O-N 3.38Å; V94-T98 PolarHBondContact O-OG1 2.95Å; S95-T98 PolarHBondContact O-N 3.37Å; S96-T98 VanDerWaalsContact C-N 3.34Å; S96-T98 PolarHBondContact O-N 2.99Å; T98-N100 VanDerWaalsContact C-N 3.3Å; T98-N100 PolarHBondContact O-N 3.3Å; T98-L101 PolarHBondContact O-N 3.02Å; T98-Q102 WeakPolarHBondContact O-CB 3.42Å; T98-Q102 PolarHBondContact O-N 2.97Å; T98-W119 HydrophobicContact CG2-CB 4.39Å; T98-I123 HydrophobicContact CG2-CD1 4.39Å; T98-I123 WeakPolarHBondContact OG1-CD1 3.47Å; T98-I175 HydrophobicContact CG2-CD1 4Å; T98-I175 HydrophobicContact CG2-CG2 4.14Å; T98-I175 WeakPolarHBondContact OG1-CD1 3.49Å
99	Q	90.5	Very high	91.8	Very high	82 Å²	82	53.8 Å²	53.8	38%	0.383	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-37.2	178.1	-71.6	177.8	-17.2	0	0	112.5	S95 S96 K103	S95-Q99 WeakPolarHBondContact O-CG 3.44Å; S95-Q99 PolarHBondContact O-N 3.18Å; S95-Q99 VanDerWaalsContact O-N 3.15Å; S96-Q99 PolarHBondContact O-N 3.16Å; Q99-K103 WeakPolarHBondContact O-CG 3.47Å; Q99-K103 PolarHBondContact O-N 3.19Å
100	N	92.7	Very high	91.9	Very high	90 Å²	90	54.8 Å²	54.8	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-69.7	-47.9	176	-68.8	-19.2	0	0	0	111	S96 A97 T98 Q102 K103 D104	S96-N100 PolarHBondContact O-N 3.48Å; A97-N100 PolarHBondContact O-N 3.23Å; T98-N100 VanDerWaalsContact C-N 3.3Å; T98-N100 PolarHBondContact O-N 3.3Å; N100-Q102 VanDerWaalsContact C-N 3.29Å; N100-Q102 PolarHBondContact O-N 3.27Å; N100-K103 PolarHBondContact O-N 2.9Å; N100-K103 VanDerWaalsContact O-N 3.13Å; N100-D104 VanDerWaalsContact O-CG 3.29Å; N100-D104 PolarHBondContact O-N 3.17Å
101	L	92.4	Very high	91.8	Very high	35 Å²	35	59 Å²	59	18%	0.183	32%	0.318	C	S	.	.	H	α-helix	trans	-56.2	-44.9	175.8	-79.1	169.6	0	0	0	111.8	A97 T98 K103 D104 Y105 I172 Y179	A97-L101 WeakPolarHBondContact O-CB 3.26Å; A97-L101 WeakPolarHBondContact O-CG 3.27Å; A97-L101 PolarHBondContact O-N 2.98Å; T98-L101 PolarHBondContact O-N 3.02Å; L101-K103 VanDerWaalsContact C-N 3.34Å; L101-K103 PolarHBondContact O-N 3.5Å; L101-D104 PolarHBondContact O-N 3.37Å; L101-Y105 HydrophobicContact CD2-CE2 4.16Å; L101-Y105 WeakPolarHBondContact O-CB 3.39Å; L101-Y105 WeakPolarHBondContact O-CD2 3.49Å; L101-Y105 PolarHBondContact O-N 3.11Å; L101-I172 HydrophobicContact CD1-CG2 3.84Å; L101-Y179 HydrophobicContact CB-CE2 4.41Å
102	Q	91.8	Very high	91.8	Very high	24 Å²	24	59.5 Å²	59.5	11%	0.112	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-45.8	177.8	-177.6	175.9	4	0	0	111.7	T98 N100 Y105 Q106 S116 Y179	T98-Q102 WeakPolarHBondContact O-CB 3.42Å; T98-Q102 PolarHBondContact O-N 2.97Å; N100-Q102 VanDerWaalsContact C-N 3.29Å; N100-Q102 PolarHBondContact O-N 3.27Å; Q102-Y105 PolarHBondContact O-N 3.41Å; Q102-Q106 HydrophobicContact CG-CG 4.3Å; Q102-Q106 VanDerWaalsContact O-CB 3.3Å; Q102-Q106 WeakPolarHBondContact O-CB 3.28Å; Q102-Q106 WeakPolarHBondContact O-CG 3.44Å; Q102-Q106 PolarHBondContact O-N 2.71Å; Q102-S116 VanDerWaalsContact CD-CB 3.43Å; Q102-S116 VanDerWaalsContact NE2-CB 3.28Å; Q102-S116 PolarHBondContact NE2-OG 3.3Å; Q102-S116 PolarHBondContact OE1-OG 2.92Å; Q102-Y179 HydrophobicContact CB-CE2 4.13Å
103	K	93	Very high	91.9	Very high	128 Å²	128	63.2 Å²	63.2	56%	0.557	34%	0.341	S	S	*	.	H	α-helix	trans	-62.4	-43.6	178	-72.3	170.3	-175.6	172.9	0	111.9	Q99 N100 L101 Q106 A107	Q99-K103 WeakPolarHBondContact O-CG 3.47Å; Q99-K103 PolarHBondContact O-N 3.19Å; N100-K103 PolarHBondContact O-N 2.9Å; N100-K103 VanDerWaalsContact O-N 3.13Å; L101-K103 VanDerWaalsContact C-N 3.34Å; L101-K103 PolarHBondContact O-N 3.5Å; K103-Q106 PolarHBondContact O-N 2.86Å; K103-A107 WeakPolarHBondContact O-CB 3.3Å; K103-A107 PolarHBondContact O-N 3.32Å
104	D	94.1	Very high	91.8	Very high	104 Å²	104	59.8 Å²	59.8	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-63	-44.7	179.8	-65.6	-17.8	0	0	0	110.8	N100 L101 A107 K108	N100-D104 VanDerWaalsContact O-CG 3.29Å; N100-D104 PolarHBondContact O-N 3.17Å; L101-D104 PolarHBondContact O-N 3.37Å; D104-A107 PolarHBondContact O-N 3.02Å; D104-K108 PolarHBondContact O-N 3.13Å
105	Y	93.2	Very high	91.4	Very high	25 Å²	25	62.9 Å²	62.9	10%	0.098	34%	0.342	C	S	.	.	H	α-helix	trans	-69.1	-39.9	178.3	-86.8	-107.8	0	0	0	112.4	L101 Q102 A107 K108 Y109 F114 Y179 L180 I183	L101-Y105 HydrophobicContact CD2-CE2 4.16Å; L101-Y105 WeakPolarHBondContact O-CB 3.39Å; L101-Y105 WeakPolarHBondContact O-CD2 3.49Å; L101-Y105 PolarHBondContact O-N 3.11Å; Q102-Y105 PolarHBondContact O-N 3.41Å; Y105-A107 VanDerWaalsContact C-N 3.33Å; Y105-A107 PolarHBondContact O-N 2.97Å; Y105-K108 PolarHBondContact O-N 2.69Å; Y105-Y109 HydrophobicContact CD1-CD2 4.4Å; Y105-Y109 HydrophobicContact CD1-CE2 4.44Å; Y105-Y109 WeakPolarHBondContact O-CD2 3.33Å; Y105-Y109 PolarHBondContact O-N 2.87Å; Y105-F114 HydrophobicContact CD1-CE1 4.05Å; Y105-F114 HydrophobicContact CD1-CZ 4.09Å; Y105-F114 HydrophobicContact CG-CZ 4.4Å; Y105-Y179 HydrophobicContact CD1-CD2 4.42Å; Y105-Y179 HydrophobicContact CD2-CD2 4.43Å; Y105-Y179 HydrophobicContact CG-CD2 4.18Å; Y105-L180 HydrophobicContact CE1-CD2 3.89Å; Y105-L180 HydrophobicContact CE1-CG 4.18Å; Y105-I183 HydrophobicContact CD1-CD1 3.42Å; Y105-I183 VanDerWaalsContact CD1-CD1 3.42Å; Y105-I183 HydrophobicContact CE1-CD1 3.56Å
106	Q	92.7	Very high	90.7	Very high	80 Å²	80	62.2 Å²	62.2	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-36.9	173.9	-77.1	174.3	-21.8	0	0	112.5	Q102 K103 Y109 P110 F114	Q102-Q106 HydrophobicContact CG-CG 4.3Å; Q102-Q106 VanDerWaalsContact O-CB 3.3Å; Q102-Q106 WeakPolarHBondContact O-CB 3.28Å; Q102-Q106 WeakPolarHBondContact O-CG 3.44Å; Q102-Q106 PolarHBondContact O-N 2.71Å; K103-Q106 PolarHBondContact O-N 2.86Å; Q106-Y109 CarbonylContact O-C 3.53Å; Q106-P110 VanDerWaalsContact O-CA 3.24Å; Q106-P110 WeakPolarHBondContact O-CA 3.29Å; Q106-F114 HydrophobicContact CG-CD2 3.64Å; Q106-F114 HydrophobicContact CG-CE2 4.06Å
107	A	93.3	Very high	89.7	Confident	83 Å²	83	65.3 Å²	65.3	69%	0.686	35%	0.348	S	S	*	.	H	α-helix	trans	-67.9	-39.1	175.7	0	0	0	0	0	111.8	K103 D104 Y105	K103-A107 WeakPolarHBondContact O-CB 3.3Å; K103-A107 PolarHBondContact O-N 3.32Å; D104-A107 PolarHBondContact O-N 3.02Å; Y105-A107 VanDerWaalsContact C-N 3.33Å; Y105-A107 PolarHBondContact O-N 2.97Å
108	K	92.4	Very high	89.1	Confident	101 Å²	101	69.2 Å²	69.2	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-77.7	-33.8	-180	-163.5	174.4	-169	-164.8	0	112.9	E25 N27 D104 Y105	E25-K108 IonicContact OE2-NZ 3.17Å; N27-K108 WeakPolarHBondContact ND2-CE 3.49Å; N27-K108 PolarHBondContact ND2-NZ 2.6Å; N27-K108 PolarHBondContact OD1-NZ 2.75Å; D104-K108 PolarHBondContact O-N 3.13Å; Y105-K108 PolarHBondContact O-N 2.69Å
109	Y	92	Very high	88.6	Confident	14 Å²	14	71 Å²	71	6%	0.055	37%	0.372	C	S	.	.			trans	-131.1	68.8	-176	-52.8	-83.7	0	0	0	111	N27 I32 Y105 Q106 H111 V112 I183	N27-Y109 HydrophobicContact CB-CE1 4.35Å; N27-Y109 WeakPolarHBondContact CB-OH 3.41Å; N27-Y109 PolarHBondContact ND2-OH 3.33Å; N27-Y109 VanDerWaalsContact ND2-OH 3.07Å; I32-Y109 WeakPolarHBondContact CD1-OH 3.41Å; Y105-Y109 HydrophobicContact CD1-CD2 4.4Å; Y105-Y109 HydrophobicContact CD1-CE2 4.44Å; Y105-Y109 WeakPolarHBondContact O-CD2 3.33Å; Y105-Y109 PolarHBondContact O-N 2.87Å; Q106-Y109 CarbonylContact O-C 3.53Å; Y109-H111 PolarHBondContact O-N 3.39Å; Y109-H111 VanDerWaalsContact O-N 3.08Å; Y109-V112 PolarHBondContact O-N 3.32Å; Y109-I183 HydrophobicContact CD1-CD1 4.47Å; Y109-I183 HydrophobicContact CD1-CG1 4.34Å; Y109-I183 HydrophobicContact CD1-CG2 3.88Å; Y109-I183 HydrophobicContact CD2-CD1 3.43Å; Y109-I183 VanDerWaalsContact CD2-CD1 3.43Å; Y109-I183 HydrophobicContact CD2-CG1 3.93Å; Y109-I183 HydrophobicContact CE1-CD1 4.48Å; Y109-I183 HydrophobicContact CE1-CG2 3.81Å; Y109-I183 HydrophobicContact CE2-CD1 3.41Å; Y109-I183 VanDerWaalsContact CE2-CD1 3.41Å; Y109-I183 HydrophobicContact CE2-CG1 4.27Å; Y109-I183 HydrophobicContact CG-CD1 3.97Å; Y109-I183 HydrophobicContact CG-CG1 3.96Å; Y109-I183 HydrophobicContact CG-CG2 4.35Å
110	P	92.2	Very high	88	Confident	108 Å²	108	69.7 Å²	69.7	70%	0.701	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.8	-172.2	26.4	-36.1	0	0	0	114.5	Q106	Q106-P110 VanDerWaalsContact O-CA 3.24Å; Q106-P110 WeakPolarHBondContact O-CA 3.29Å
111	H	89.8	Confident	87.5	Confident	94 Å²	94	68.2 Å²	68.2	44%	0.435	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.1	177.1	60.4	-90.7	0	0	0	113.2	Y109 Y190	Y109-H111 PolarHBondContact O-N 3.39Å; Y109-H111 VanDerWaalsContact O-N 3.08Å; H111-Y190 AromaticContact CD2-CE2 3.68Å
112	V	90.8	Very high	86.9	Confident	12 Å²	12	71.3 Å²	71.3	7%	0.073	38%	0.378	C	S	.	.			trans	-92.2	125.3	-179.6	-178.2	0	0	0	0	109.5	Y109 F114 Q182 I183 A186	Y109-V112 PolarHBondContact O-N 3.32Å; V112-F114 HydrophobicContact CB-CE1 4.33Å; V112-F114 HydrophobicContact CB-CE2 3.9Å; V112-F114 HydrophobicContact CB-CZ 3.78Å; V112-F114 HydrophobicContact CG1-CD1 4.06Å; V112-F114 HydrophobicContact CG1-CD2 4.39Å; V112-F114 HydrophobicContact CG1-CE1 3.68Å; V112-F114 HydrophobicContact CG1-CE2 4.04Å; V112-F114 HydrophobicContact CG1-CG 4.41Å; V112-F114 HydrophobicContact CG1-CZ 3.66Å; V112-F114 WeakPolarHBondContact O-CD2 3.43Å; V112-F114 PolarHBondContact O-N 3.31Å; V112-Q182 HydrophobicContact CG1-CB 4.23Å; V112-I183 HydrophobicContact CG1-CG1 4.31Å; V112-I183 HydrophobicContact CG2-CG1 4.16Å; V112-A186 HydrophobicContact CG2-CB 3.83Å
113	N	89.5	Confident	86.4	Confident	151 Å²	151	70.3 Å²	70.3	81%	0.807	37%	0.374	S	S	*	.			trans	-89.6	93.3	175.7	-177.2	37.2	0	0	0	110.8	D115 Q182	N113-D115 PolarHBondContact O-N 3.31Å; N113-Q182 PolarHBondContact O-OE1 2.95Å
114	F	89.2	Confident	85.5	Confident	6 Å²	6	69.4 Å²	69.4	3%	0.026	37%	0.373	C	S	.	.			trans	-70.8	121.2	-179.5	-61.6	-78	0	0	0	112.7	Y105 Q106 V112 S116 Y179 Q182 I183	Y105-F114 HydrophobicContact CD1-CE1 4.05Å; Y105-F114 HydrophobicContact CD1-CZ 4.09Å; Y105-F114 HydrophobicContact CG-CZ 4.4Å; Q106-F114 HydrophobicContact CG-CD2 3.64Å; Q106-F114 HydrophobicContact CG-CE2 4.06Å; V112-F114 HydrophobicContact CB-CE1 4.33Å; V112-F114 HydrophobicContact CB-CE2 3.9Å; V112-F114 HydrophobicContact CB-CZ 3.78Å; V112-F114 HydrophobicContact CG1-CD1 4.06Å; V112-F114 HydrophobicContact CG1-CD2 4.39Å; V112-F114 HydrophobicContact CG1-CE1 3.68Å; V112-F114 HydrophobicContact CG1-CE2 4.04Å; V112-F114 HydrophobicContact CG1-CG 4.41Å; V112-F114 HydrophobicContact CG1-CZ 3.66Å; V112-F114 WeakPolarHBondContact O-CD2 3.43Å; V112-F114 PolarHBondContact O-N 3.31Å; F114-S116 PolarHBondContact O-N 3.48Å; F114-Y179 HydrophobicContact CB-CD1 4.26Å; F114-Y179 HydrophobicContact CB-CE1 4.02Å; F114-Y179 AromaticContact CD1-CD1 3.6Å; F114-Y179 HydrophobicContact CD1-CD1 3.6Å; F114-Y179 HydrophobicContact CD1-CD2 4.4Å; F114-Y179 HydrophobicContact CD1-CE1 4.2Å; F114-Y179 AromaticContact CD1-CG 3.71Å; F114-Y179 HydrophobicContact CD1-CG 3.71Å; F114-Y179 HydrophobicContact CE1-CD1 4.42Å; F114-Y179 HydrophobicContact CE1-CG 4.12Å; F114-Y179 HydrophobicContact CG-CD1 4.3Å; F114-Y179 HydrophobicContact CG-CE1 4.47Å; F114-Q182 VanDerWaalsContact CA-OE1 3.29Å; F114-I183 HydrophobicContact CE1-CD1 4.11Å; F114-I183 HydrophobicContact CE1-CG1 3.86Å; F114-I183 HydrophobicContact CZ-CD1 4.12Å; F114-I183 HydrophobicContact CZ-CG1 3.87Å
115	D	84.2	Confident	84.9	Confident	67 Å²	67	65.8 Å²	65.8	36%	0.358	36%	0.36	S	S	.	.			trans	-73.5	89.4	171.8	-178.7	11	0	0	0	111.1	N113 L117 N118	N113-D115 PolarHBondContact O-N 3.31Å; D115-L117 PolarHBondContact OD1-N 2.86Å; D115-N118 PolarHBondContact OD2-ND2 3.38Å
116	S	76.2	Confident	84.2	Confident	17 Å²	17	66.5 Å²	66.5	12%	0.119	36%	0.364	C	S	.	.			trans	-89.3	-20.8	177.1	63.8	0	0	0	0	113.9	Q102 F114 N118 W119 E120	Q102-S116 VanDerWaalsContact CD-CB 3.43Å; Q102-S116 VanDerWaalsContact NE2-CB 3.28Å; Q102-S116 PolarHBondContact NE2-OG 3.3Å; Q102-S116 PolarHBondContact OE1-OG 2.92Å; F114-S116 PolarHBondContact O-N 3.48Å; S116-N118 VanDerWaalsContact C-N 3.28Å; S116-N118 PolarHBondContact O-N 3.39Å; S116-W119 PolarHBondContact O-N 3.21Å; S116-W119 VanDerWaalsContact O-N 3.13Å; S116-E120 PolarHBondContact O-N 3.45Å
117	L	71.1	Confident	83.4	Confident	126 Å²	126	63.1 Å²	63.1	66%	0.66	35%	0.349	S	S	*	.	H	α-helix	trans	-62.4	-38.7	-172.9	-71.7	173.2	0	0	0	111.5	D115 W119 A121	D115-L117 PolarHBondContact OD1-N 2.86Å; L117-W119 PolarHBondContact O-N 3.46Å; L117-A121 WeakPolarHBondContact O-CB 3.23Å; L117-A121 PolarHBondContact O-N 3.1Å; L117-A121 VanDerWaalsContact O-N 3.12Å
118	N	78.7	Confident	82.7	Confident	105 Å²	105	64.5 Å²	64.5	56%	0.561	34%	0.341	S	S	*	.	H	α-helix	trans	-65.5	-37.8	178.1	-78.3	-29.1	0	0	0	112.5	D115 S116 F122	D115-N118 PolarHBondContact OD2-ND2 3.38Å; S116-N118 VanDerWaalsContact C-N 3.28Å; S116-N118 PolarHBondContact O-N 3.39Å; N118-F122 WeakPolarHBondContact O-CB 3.44Å; N118-F122 PolarHBondContact O-N 3.09Å; N118-F122 VanDerWaalsContact O-N 3.13Å
119	W	80.5	Confident	81.9	Confident	39 Å²	39	69.1 Å²	69.1	15%	0.148	36%	0.356	C	S	.	.	H	α-helix	trans	-73.8	-44.4	179.3	-61	119.4	0	0	0	112.3	T98 S116 L117 A121 F122 I123 F174 I175	T98-W119 HydrophobicContact CG2-CB 4.39Å; S116-W119 PolarHBondContact O-N 3.21Å; S116-W119 VanDerWaalsContact O-N 3.13Å; L117-W119 PolarHBondContact O-N 3.46Å; W119-A121 VanDerWaalsContact C-N 3.34Å; W119-A121 PolarHBondContact O-N 3.02Å; W119-F122 PolarHBondContact O-N 2.83Å; W119-I123 HydrophobicContact CB-CD1 4.45Å; W119-I123 WeakPolarHBondContact O-CB 3.28Å; W119-I123 WeakPolarHBondContact O-CD1 3.4Å; W119-I123 WeakPolarHBondContact O-CG1 3.2Å; W119-I123 PolarHBondContact O-N 2.86Å; W119-F174 AromaticContact CH2-CD1 3.51Å; W119-F174 HydrophobicContact CH2-CD1 3.51Å; W119-F174 AromaticContact CH2-CE1 3.07Å; W119-F174 HydrophobicContact CH2-CE1 3.07Å; W119-F174 AromaticContact CH2-CZ 3.88Å; W119-F174 HydrophobicContact CH2-CZ 3.88Å; W119-F174 HydrophobicContact CZ2-CD1 4.41Å; W119-F174 HydrophobicContact CZ2-CE1 4.17Å; W119-F174 AromaticContact CZ3-CD1 3.57Å; W119-F174 HydrophobicContact CZ3-CD1 3.57Å; W119-F174 AromaticContact CZ3-CE1 3.36Å; W119-F174 HydrophobicContact CZ3-CE1 3.36Å; W119-I175 HydrophobicContact CB-CD1 4.47Å; W119-I175 HydrophobicContact CD2-CG1 3.9Å; W119-I175 HydrophobicContact CE3-CG1 4.11Å; W119-I175 HydrophobicContact CG-CG1 4.07Å
120	E	78.3	Confident	80.9	Confident	54 Å²	54	69.1 Å²	69.1	25%	0.252	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-45.9	177.9	-71.4	-169.8	156	0	0	111.3	S116 F122 I123 M124	S116-E120 PolarHBondContact O-N 3.45Å; E120-F122 PolarHBondContact O-N 3.36Å; E120-I123 PolarHBondContact O-N 3.09Å; E120-M124 HydrophobicContact CB-CE 4.18Å; E120-M124 VanDerWaalsContact O-CB 3.27Å; E120-M124 WeakPolarHBondContact O-CB 3.49Å; E120-M124 VanDerWaalsContact O-CG 3.26Å; E120-M124 WeakPolarHBondContact O-CG 3.23Å; E120-M124 PolarHBondContact O-N 3.12Å
121	A	81.5	Confident	79.5	Confident	59 Å²	59	69.7 Å²	69.7	49%	0.488	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-44.3	176.7	0	0	0	0	0	112	L117 W119 G125	L117-A121 WeakPolarHBondContact O-CB 3.23Å; L117-A121 PolarHBondContact O-N 3.1Å; L117-A121 VanDerWaalsContact O-N 3.12Å; W119-A121 VanDerWaalsContact C-N 3.34Å; W119-A121 PolarHBondContact O-N 3.02Å; A121-G125 PolarHBondContact O-N 2.95Å
122	F	81.3	Confident	78.4	Confident	100 Å²	100	71.7 Å²	71.7	44%	0.439	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-46.8	177.6	175.7	-104.9	0	0	0	112.3	N118 W119 E120 G125 K126	N118-F122 WeakPolarHBondContact O-CB 3.44Å; N118-F122 PolarHBondContact O-N 3.09Å; N118-F122 VanDerWaalsContact O-N 3.13Å; W119-F122 PolarHBondContact O-N 2.83Å; E120-F122 PolarHBondContact O-N 3.36Å; F122-G125 PolarHBondContact O-N 2.92Å; F122-K126 HydrophobicContact CE1-CD 4.39Å; F122-K126 PolarHBondContact O-N 3.37Å
123	I	80	Confident	77.5	Confident	3 Å²	3	72.4 Å²	72.4	2%	0.015	37%	0.366	C	S	.	.	H	α-helix	trans	-68.2	-46.7	-178.7	-64.3	159.5	0	0	0	110.6	A91 V94 T98 W119 E120 G125 K126 A127 I175	A91-I123 HydrophobicContact CB-CG2 4.23Å; A91-I123 WeakPolarHBondContact O-CG2 3.44Å; V94-I123 HydrophobicContact CG1-CD1 3.7Å; V94-I123 HydrophobicContact CG1-CG1 3.94Å; T98-I123 HydrophobicContact CG2-CD1 4.39Å; T98-I123 WeakPolarHBondContact OG1-CD1 3.47Å; W119-I123 HydrophobicContact CB-CD1 4.45Å; W119-I123 WeakPolarHBondContact O-CB 3.28Å; W119-I123 WeakPolarHBondContact O-CD1 3.4Å; W119-I123 WeakPolarHBondContact O-CG1 3.2Å; W119-I123 PolarHBondContact O-N 2.86Å; E120-I123 PolarHBondContact O-N 3.09Å; I123-G125 VanDerWaalsContact C-N 3.28Å; I123-G125 PolarHBondContact O-N 3.46Å; I123-K126 WeakPolarHBondContact O-CB 3.23Å; I123-K126 PolarHBondContact O-N 3.29Å; I123-K126 VanDerWaalsContact O-N 3.09Å; I123-A127 PolarHBondContact O-N 2.93Å; I123-A127 VanDerWaalsContact O-N 3.1Å; I123-I175 HydrophobicContact CD1-CD1 4.03Å
124	M	75.6	Confident	76.5	Confident	110 Å²	110	70.9 Å²	70.9	54%	0.542	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-38.8	177.3	-72.7	-168.7	-68.2	0	0	111.5	E120 K126 A127 E128	E120-M124 HydrophobicContact CB-CE 4.18Å; E120-M124 VanDerWaalsContact O-CB 3.27Å; E120-M124 WeakPolarHBondContact O-CB 3.49Å; E120-M124 VanDerWaalsContact O-CG 3.26Å; E120-M124 WeakPolarHBondContact O-CG 3.23Å; E120-M124 PolarHBondContact O-N 3.12Å; M124-K126 VanDerWaalsContact C-N 3.28Å; M124-K126 PolarHBondContact O-N 2.92Å; M124-A127 PolarHBondContact O-N 3.45Å; M124-A127 VanDerWaalsContact O-N 3.11Å; M124-E128 WeakPolarHBondContact O-CB 3.42Å; M124-E128 PolarHBondContact O-N 3.33Å
125	G	81.4	Confident	76	Confident	27 Å²	27	73 Å²	73	28%	0.278	36%	0.364	S	S	.	.	H	α-helix	trans	-63.2	-29.1	174.9	0	0	0	0	0	113.8	A121 F122 I123 R129	A121-G125 PolarHBondContact O-N 2.95Å; F122-G125 PolarHBondContact O-N 2.92Å; I123-G125 VanDerWaalsContact C-N 3.28Å; I123-G125 PolarHBondContact O-N 3.46Å; G125-R129 WeakPolarHBondContact O-CG 3.34Å; G125-R129 PolarHBondContact O-NE 3.35Å
126	K	78.1	Confident	75.9	Confident	41 Å²	41	77 Å²	77	18%	0.178	38%	0.381	C	S	.	.	H	α-helix	trans	-69.9	-48.2	168.6	-69.6	-175.4	-175	177.3	0	110.9	I87 A91 F122 I123 M124 E128 R129 T130 D171	I87-K126 HydrophobicContact CG2-CB 4.48Å; A91-K126 HydrophobicContact CB-CB 4.03Å; F122-K126 HydrophobicContact CE1-CD 4.39Å; F122-K126 PolarHBondContact O-N 3.37Å; I123-K126 WeakPolarHBondContact O-CB 3.23Å; I123-K126 PolarHBondContact O-N 3.29Å; I123-K126 VanDerWaalsContact O-N 3.09Å; M124-K126 VanDerWaalsContact C-N 3.28Å; M124-K126 PolarHBondContact O-N 2.92Å; K126-E128 PolarHBondContact O-N 3.47Å; K126-R129 PolarHBondContact O-N 3.3Å; K126-T130 PolarHBondContact O-OG1 2.88Å; K126-D171 IonicContact NZ-OD1 3.39Å; K126-D171 PolarHBondContact NZ-OD1 3.44Å; K126-D171 VanDerWaalsContact NZ-OD1 3.17Å; K126-D171 IonicContact NZ-OD2 2.66Å; K126-D171 PolarHBondContact NZ-OD2 3.24Å
127	A	75.8	Confident	76.3	Confident	8 Å²	8	79.1 Å²	79.1	7%	0.066	40%	0.396	C	S	.	.	H	α-helix	trans	-68.3	-29.5	-176.6	0	0	0	0	0	114.4	A91 I123 M124 T130 K131 R134	A91-A127 HydrophobicContact CB-CB 3.7Å; I123-A127 PolarHBondContact O-N 2.93Å; I123-A127 VanDerWaalsContact O-N 3.1Å; M124-A127 PolarHBondContact O-N 3.45Å; M124-A127 VanDerWaalsContact O-N 3.11Å; A127-T130 PolarHBondContact O-OG1 2.89Å; A127-K131 PolarHBondContact O-N 3.14Å; A127-R134 PolarHBondContact O-NH2 2.9Å
128	E	79	Confident	76.9	Confident	113 Å²	113	75 Å²	75	53%	0.528	37%	0.373	S	S	.	.	H	α-helix	trans	-78.4	-34.4	-179.9	-178.7	156.2	-135.8	0	0	112	M124 K126 T130 K131	M124-E128 WeakPolarHBondContact O-CB 3.42Å; M124-E128 PolarHBondContact O-N 3.33Å; K126-E128 PolarHBondContact O-N 3.47Å; E128-T130 PolarHBondContact O-N 3.45Å; E128-T130 VanDerWaalsContact O-N 3.1Å; E128-K131 HydrophobicContact CG-CD 4.35Å; E128-K131 WeakPolarHBondContact O-CB 3.39Å; E128-K131 PolarHBondContact O-N 3.43Å; E128-K131 VanDerWaalsContact O-N 3.13Å; E128-K131 IonicContact OE1-NZ 3.69Å; E128-K131 PolarHBondContact OE1-NZ 2.9Å
129	R	74.1	Confident	77.4	Confident	197 Å²	197	71.7 Å²	71.7	74%	0.743	36%	0.355	S	S	*	.	H	α-helix	trans	-62	-20	173.5	-75.9	-177.1	-75.5	176.2	-3.4	112.8	G125 K126	G125-R129 WeakPolarHBondContact O-CG 3.34Å; G125-R129 PolarHBondContact O-NE 3.35Å; K126-R129 PolarHBondContact O-N 3.3Å
130	T	71.2	Confident	77.8	Confident	14 Å²	14	73.4 Å²	73.4	9%	0.086	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	24	-180	57.7	0	0	0	0	112.4	E84 I87 S88 K126 A127 E128 N132 M133	E84-T130 HydrophobicContact CB-CG2 4.4Å; E84-T130 WeakPolarHBondContact O-CG2 3.48Å; I87-T130 HydrophobicContact CB-CG2 4.09Å; I87-T130 HydrophobicContact CG2-CG2 3.75Å; S88-T130 VanDerWaalsContact CA-OG1 3.22Å; S88-T130 WeakPolarHBondContact CA-OG1 3.08Å; S88-T130 WeakPolarHBondContact CB-OG1 3.46Å; S88-T130 PolarHBondContact OG-O 3.03Å; S88-T130 VanDerWaalsContact OG-O 3.11Å; S88-T130 PolarHBondContact OG-OG1 2.89Å; K126-T130 PolarHBondContact O-OG1 2.88Å; A127-T130 PolarHBondContact O-OG1 2.89Å; E128-T130 PolarHBondContact O-N 3.45Å; E128-T130 VanDerWaalsContact O-N 3.1Å; T130-N132 PolarHBondContact O-N 3.12Å; T130-M133 PolarHBondContact O-N 3.32Å
131	K	63.9	Low	78.4	Confident	120 Å²	120	75.8 Å²	75.8	52%	0.522	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-34.4	-169.2	-145.6	167.9	-171.3	156.9	0	114.2	A127 E128	A127-K131 PolarHBondContact O-N 3.14Å; E128-K131 HydrophobicContact CG-CD 4.35Å; E128-K131 WeakPolarHBondContact O-CB 3.39Å; E128-K131 PolarHBondContact O-N 3.43Å; E128-K131 VanDerWaalsContact O-N 3.13Å; E128-K131 IonicContact OE1-NZ 3.69Å; E128-K131 PolarHBondContact OE1-NZ 2.9Å
132	N	66.6	Low	79	Confident	136 Å²	136	73 Å²	73	73%	0.727	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.7	-174.9	-64.2	-16	0	0	0	114.4	T130 E138	T130-N132 PolarHBondContact O-N 3.12Å; N132-E138 VanDerWaalsContact O-CG 3.25Å; N132-E138 WeakPolarHBondContact O-CG 3.25Å
133	M	72.2	Confident	79.5	Confident	27 Å²	27	71.8 Å²	71.8	13%	0.133	36%	0.355	C	S	.	.			trans	-106.3	44.4	-172.7	-63.9	-154	-178.8	0	0	114.5	C81 E84 Y85 T130	C81-M133 HydrophobicContact CB-CE 4.45Å; C81-M133 VanDerWaalsContact O-SD 3.4Å; E84-M133 HydrophobicContact CB-CE 3.91Å; E84-M133 HydrophobicContact CB-CG 4.48Å; E84-M133 HydrophobicContact CB-SD 3.34Å; E84-M133 WeakPolarHBondContact CB-SD 3.49Å; E84-M133 WeakPolarHBondContact OE2-CE 3.22Å; Y85-M133 WeakPolarHBondContact CD2-O 3.35Å; Y85-M133 PolarHBondContact N-SD 3.43Å; T130-M133 PolarHBondContact O-N 3.32Å
134	R	68	Low	80.1	Confident	119 Å²	119	78.6 Å²	78.6	45%	0.449	39%	0.386	S	S	.	.			trans	-97.7	-20.7	-176.2	-68.3	-178.9	-176.8	179.8	3.6	114.7	S88 I92 A127	S88-R134 WeakPolarHBondContact OG-CG 3.32Å; I92-R134 HydrophobicContact CD1-CG 4.18Å; A127-R134 PolarHBondContact O-NH2 2.9Å
135	S	78.2	Confident	81	Confident	51 Å²	51	75.9 Å²	75.9	36%	0.357	37%	0.374	S	S	.	.	S	Bend	trans	-98.7	153.1	-175.8	53.1	0	0	0	0	112.3	S137 E138	S135-S137 WeakPolarHBondContact CB-OG 3.36Å; S135-S137 PolarHBondContact O-N 3.46Å; S135-S137 PolarHBondContact OG-OG 3.2Å; S135-E138 WeakPolarHBondContact O-CB 3.47Å; S135-E138 PolarHBondContact O-N 3.26Å; S135-E138 WeakPolarHBondContact OG-CG 3.37Å
136	E	82.3	Confident	81.6	Confident	150 Å²	150	75.2 Å²	75.2	70%	0.701	36%	0.364	S	S	*	.	H	α-helix	trans	-56.7	-28.6	171.2	-71.2	174.1	-171	0	0	112.2	E138 L139 T140	E136-E138 PolarHBondContact O-N 3.16Å; E136-L139 WeakPolarHBondContact O-CB 3.27Å; E136-L139 PolarHBondContact O-N 2.84Å; E136-T140 PolarHBondContact O-N 3.49Å; E136-T140 PolarHBondContact O-OG1 2.92Å
137	S	84.1	Confident	82.1	Confident	63 Å²	63	77.2 Å²	77.2	44%	0.441	38%	0.381	S	S	.	.	H	α-helix	trans	-59.3	-31.2	174.5	64.1	0	0	0	0	113.2	S135 K141	S135-S137 WeakPolarHBondContact CB-OG 3.36Å; S135-S137 PolarHBondContact O-N 3.46Å; S135-S137 PolarHBondContact OG-OG 3.2Å; S137-K141 WeakPolarHBondContact O-CG 3.48Å; S137-K141 PolarHBondContact O-N 3.48Å
138	E	84.9	Confident	82.8	Confident	39 Å²	39	80.9 Å²	80.9	18%	0.182	39%	0.394	C	S	.	.	H	α-helix	trans	-77.7	-35.9	178.8	-59.8	-65.5	138.2	0	0	111.2	N132 S135 E136 T140 K141 C142	N132-E138 VanDerWaalsContact O-CG 3.25Å; N132-E138 WeakPolarHBondContact O-CG 3.25Å; S135-E138 WeakPolarHBondContact O-CB 3.47Å; S135-E138 PolarHBondContact O-N 3.26Å; S135-E138 WeakPolarHBondContact OG-CG 3.37Å; E136-E138 PolarHBondContact O-N 3.16Å; E138-T140 VanDerWaalsContact C-N 3.28Å; E138-T140 PolarHBondContact O-N 3.44Å; E138-K141 WeakPolarHBondContact O-CB 3.36Å; E138-K141 PolarHBondContact O-N 2.98Å; E138-K141 VanDerWaalsContact O-N 3.16Å; E138-K141 IonicContact OE1-NZ 3.87Å; E138-K141 PolarHBondContact OE1-NZ 3.23Å; E138-K141 WeakPolarHBondContact OE2-CD 3.47Å; E138-K141 IonicContact OE2-NZ 2.69Å; E138-K141 PolarHBondContact OE2-NZ 3.05Å; E138-C142 PolarHBondContact O-N 2.95Å; E138-C142 PolarHBondContact O-SG 3.1Å
139	L	88.5	Confident	83.3	Confident	35 Å²	35	81.5 Å²	81.5	18%	0.183	40%	0.401	C	S	.	.	H	α-helix	trans	-60.9	-40.7	170.5	-179.2	60.7	0	0	0	111	Y85 E136 K141 C142 N143	Y85-L139 HydrophobicContact CD1-CD1 4.07Å; Y85-L139 HydrophobicContact CD2-CB 4.11Å; Y85-L139 HydrophobicContact CE1-CB 4.42Å; Y85-L139 HydrophobicContact CE1-CD1 4.34Å; Y85-L139 HydrophobicContact CE1-CD2 3.96Å; Y85-L139 HydrophobicContact CE1-CG 4.49Å; Y85-L139 HydrophobicContact CE2-CB 3.99Å; Y85-L139 HydrophobicContact CG-CB 4.37Å; Y85-L139 HydrophobicContact CG-CD1 4.38Å; E136-L139 WeakPolarHBondContact O-CB 3.27Å; E136-L139 PolarHBondContact O-N 2.84Å; L139-K141 VanDerWaalsContact C-N 3.34Å; L139-K141 PolarHBondContact O-N 3.43Å; L139-C142 WeakPolarHBondContact O-CB 3.26Å; L139-C142 PolarHBondContact O-N 3.35Å; L139-C142 VanDerWaalsContact O-N 3.14Å; L139-N143 PolarHBondContact O-N 3.41Å; L139-N143 VanDerWaalsContact O-N 3.11Å; L139-N143 PolarHBondContact O-ND2 3.45Å
140	T	89.7	Confident	84.1	Confident	76 Å²	76	74.2 Å²	74.2	47%	0.466	38%	0.378	S	S	.	.	H	α-helix	trans	-59.4	-43.4	172.9	-57.7	0	0	0	0	111.9	E136 E138 C142 N143 E144	E136-T140 PolarHBondContact O-N 3.49Å; E136-T140 PolarHBondContact O-OG1 2.92Å; E138-T140 VanDerWaalsContact C-N 3.28Å; E138-T140 PolarHBondContact O-N 3.44Å; T140-C142 VanDerWaalsContact C-N 3.29Å; T140-C142 PolarHBondContact O-N 3.11Å; T140-N143 WeakPolarHBondContact O-CB 3.46Å; T140-N143 PolarHBondContact O-N 3.22Å; T140-N143 VanDerWaalsContact O-N 3.08Å; T140-E144 PolarHBondContact O-N 3.34Å; T140-E144 VanDerWaalsContact O-N 3.12Å
141	K	90.8	Very high	85.2	Confident	104 Å²	104	81 Å²	81	45%	0.452	41%	0.407	S	S	.	.	H	α-helix	trans	-62.3	-35.3	174.6	-68.3	172.1	-174	171.1	0	112.5	S137 E138 L139 N143 E144	S137-K141 WeakPolarHBondContact O-CG 3.48Å; S137-K141 PolarHBondContact O-N 3.48Å; E138-K141 WeakPolarHBondContact O-CB 3.36Å; E138-K141 PolarHBondContact O-N 2.98Å; E138-K141 VanDerWaalsContact O-N 3.16Å; E138-K141 IonicContact OE1-NZ 3.87Å; E138-K141 PolarHBondContact OE1-NZ 3.23Å; E138-K141 WeakPolarHBondContact OE2-CD 3.47Å; E138-K141 IonicContact OE2-NZ 2.69Å; E138-K141 PolarHBondContact OE2-NZ 3.05Å; L139-K141 VanDerWaalsContact C-N 3.34Å; L139-K141 PolarHBondContact O-N 3.43Å; K141-N143 VanDerWaalsContact C-N 3.32Å; K141-N143 PolarHBondContact O-N 3.13Å; K141-E144 PolarHBondContact O-N 3.18Å
142	C	92.7	Very high	86.7	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-59.6	-46.2	172.2	-57.2	0	0	0	0	110.5	F78 C81 Q82 E138 L139 T140 E144 L145	F78-C142 WeakPolarHBondContact CD2-O 3.4Å; C81-C142 HydrophobicContact CB-CB 3.69Å; C81-C142 WeakPolarHBondContact CB-SG 3.32Å; C81-C142 WeakPolarHBondContact SG-CA 3.18Å; C81-C142 WeakPolarHBondContact SG-CB 3.49Å; C81-C142 CovalentContact SG-SG 2.03Å; C81-C142 PolarHBondContact SG-SG 2.9Å; Q82-C142 HydrophobicContact CG-CB 4.33Å; E138-C142 PolarHBondContact O-N 2.95Å; E138-C142 PolarHBondContact O-SG 3.1Å; L139-C142 WeakPolarHBondContact O-CB 3.26Å; L139-C142 PolarHBondContact O-N 3.35Å; L139-C142 VanDerWaalsContact O-N 3.14Å; T140-C142 VanDerWaalsContact C-N 3.29Å; T140-C142 PolarHBondContact O-N 3.11Å; C142-E144 VanDerWaalsContact C-N 3.27Å; C142-E144 PolarHBondContact O-N 3.11Å; C142-L145 VanDerWaalsContact O-CB 3.23Å; C142-L145 WeakPolarHBondContact O-CB 3.38Å; C142-L145 WeakPolarHBondContact O-CG 3.44Å; C142-L145 PolarHBondContact O-N 2.9Å
143	N	92.4	Very high	88.1	Confident	75 Å²	75	71.3 Å²	71.3	40%	0.401	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-30.5	-179.6	-67.6	-35	0	0	0	113.4	L139 T140 K141 L145 I146	L139-N143 PolarHBondContact O-N 3.41Å; L139-N143 VanDerWaalsContact O-N 3.11Å; L139-N143 PolarHBondContact O-ND2 3.45Å; T140-N143 WeakPolarHBondContact O-CB 3.46Å; T140-N143 PolarHBondContact O-N 3.22Å; T140-N143 VanDerWaalsContact O-N 3.08Å; K141-N143 VanDerWaalsContact C-N 3.32Å; K141-N143 PolarHBondContact O-N 3.13Å; N143-L145 PolarHBondContact O-N 3.24Å; N143-I146 PolarHBondContact O-N 3Å
144	E	93.3	Very high	89.3	Confident	145 Å²	145	71.3 Å²	71.3	68%	0.678	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.3	175.2	-69.1	172.1	-177.5	0	0	113.6	T140 K141 C142 I146	T140-E144 PolarHBondContact O-N 3.34Å; T140-E144 VanDerWaalsContact O-N 3.12Å; K141-E144 PolarHBondContact O-N 3.18Å; C142-E144 VanDerWaalsContact C-N 3.27Å; C142-E144 PolarHBondContact O-N 3.11Å; E144-I146 PolarHBondContact O-N 3.01Å
145	L	93.9	Very high	90.7	Very high	53 Å²	53	69.3 Å²	69.3	28%	0.277	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.5	177.2	-64.1	169.1	0	0	0	112.7	N74 E77 F78 C81 C142 N143	N74-L145 WeakPolarHBondContact CB-O 3.28Å; N74-L145 PolarHBondContact ND2-O 3.25Å; N74-L145 VanDerWaalsContact ND2-O 3.17Å; E77-L145 HydrophobicContact CB-CD1 4.08Å; F78-L145 HydrophobicContact CB-CB 4.3Å; C81-L145 HydrophobicContact CB-CD1 3.94Å; C142-L145 VanDerWaalsContact O-CB 3.23Å; C142-L145 WeakPolarHBondContact O-CB 3.38Å; C142-L145 WeakPolarHBondContact O-CG 3.44Å; C142-L145 PolarHBondContact O-N 2.9Å; N143-L145 PolarHBondContact O-N 3.24Å
146	I	93.9	Very high	91.6	Very high	14 Å²	14	66.9 Å²	66.9	7%	0.072	34%	0.343	C	S	.	.	S	Bend	trans	-109.7	133.6	-178.7	-53.6	-64.1	0	0	0	109.4	M72 I75 F78 N143 E144 Y148 V153	M72-I146 HydrophobicContact CE-CG2 3.91Å; M72-I146 HydrophobicContact SD-CG2 3.62Å; I75-I146 HydrophobicContact CB-CD1 4.28Å; I75-I146 HydrophobicContact CD1-CD1 3.87Å; F78-I146 HydrophobicContact CB-CD1 3.61Å; F78-I146 HydrophobicContact CB-CG1 3.62Å; F78-I146 HydrophobicContact CD1-CG1 4.23Å; F78-I146 HydrophobicContact CD2-CG1 3.72Å; F78-I146 HydrophobicContact CE2-CG1 4.46Å; F78-I146 HydrophobicContact CG-CD1 4.04Å; F78-I146 HydrophobicContact CG-CG1 3.58Å; N143-I146 PolarHBondContact O-N 3Å; E144-I146 PolarHBondContact O-N 3.01Å; I146-Y148 VanDerWaalsContact C-N 3.28Å; I146-Y148 WeakPolarHBondContact CG2-O 3.46Å; I146-Y148 PolarHBondContact O-N 3.2Å; I146-V153 HydrophobicContact CG2-CG2 4.29Å
147	P	89.7	Confident	92.3	Very high	83 Å²	83	62.4 Å²	62.4	54%	0.539	32%	0.324	S	S	.	.	S	Bend	trans	-70.3	-22.7	-174.9	26.5	-35.3	0	0	0	114.1	R71	R71-P147 HydrophobicContact CB-CG 4.1Å; R71-P147 WeakPolarHBondContact O-CD 3.47Å; R71-P147 VanDerWaalsContact O-CG 3.31Å; R71-P147 WeakPolarHBondContact O-CG 3.4Å
148	Y	89.9	Confident	92.9	Very high	84 Å²	84	64.1 Å²	64.1	33%	0.329	33%	0.325	S	S	.	.	S	Bend	trans	-158.1	142.2	179.2	52.1	-89.8	0	0	0	111.9	D68 R71 M72 I146 T150	D68-Y148 PolarHBondContact OD2-OH 2.71Å; R71-Y148 HydrophobicContact CB-CE1 4.1Å; M72-Y148 HydrophobicContact CE-CD1 4.38Å; M72-Y148 HydrophobicContact CE-CD2 3.68Å; M72-Y148 HydrophobicContact CE-CE1 3.98Å; M72-Y148 HydrophobicContact CE-CE2 3.21Å; M72-Y148 HydrophobicContact CE-CG 4.24Å; I146-Y148 VanDerWaalsContact C-N 3.28Å; I146-Y148 WeakPolarHBondContact CG2-O 3.46Å; I146-Y148 PolarHBondContact O-N 3.2Å; Y148-T150 HydrophobicContact CD2-CG2 3.36Å; Y148-T150 HydrophobicContact CE2-CG2 3.25Å; Y148-T150 PolarHBondContact O-N 2.81Å
149	N	88.5	Confident	93.6	Very high	127 Å²	127	62.8 Å²	62.8	68%	0.679	32%	0.319	S	S	*	.			trans	-81.2	106.3	176.2	-171	8.7	0	0	0	110.3	G154	N149-G154 PolarHBondContact OD1-N 2.71Å
150	T	92.2	Very high	94	Very high	43 Å²	43	61.1 Å²	61.1	26%	0.264	31%	0.31	S	S	.	.			trans	-89.4	165.7	171.6	66.4	0	0	0	0	111	M72 Y148 N152 V153 G154	M72-T150 HydrophobicContact CE-CG2 3.9Å; Y148-T150 HydrophobicContact CD2-CG2 3.36Å; Y148-T150 HydrophobicContact CE2-CG2 3.25Å; Y148-T150 PolarHBondContact O-N 2.81Å; T150-N152 PolarHBondContact O-N 2.83Å; T150-N152 PolarHBondContact OG1-N 2.98Å; T150-V153 PolarHBondContact O-N 3.38Å; T150-V153 WeakPolarHBondContact OG1-CG2 3.43Å; T150-V153 PolarHBondContact OG1-N 3.41Å; T150-G154 PolarHBondContact O-N 2.99Å
151	F	94.5	Very high	94.4	Very high	157 Å²	157	62.7 Å²	62.7	69%	0.689	31%	0.308	S	S	*	.	H	α-helix	trans	-49.9	-43	169.9	178.1	-102.1	0	0	0	113	G154 R155	F151-G154 PolarHBondContact O-N 3.23Å; F151-R155 HydrophobicContact CE1-CG 4.19Å; F151-R155 HydrophobicContact CE2-CG 4.43Å; F151-R155 VanDerWaalsContact CZ-CD 3.48Å; F151-R155 HydrophobicContact CZ-CG 4.15Å; F151-R155 WeakPolarHBondContact O-CG 3.33Å; F151-R155 PolarHBondContact O-N 3.35Å
152	N	95.2	Very high	94.8	Very high	46 Å²	46	59.8 Å²	59.8	25%	0.246	30%	0.297	C	S	.	.	H	α-helix	trans	-70.1	-35.4	179.6	-67.7	-28.6	0	0	0	112.5	L60 I64 T150 R155 I156	L60-N152 HydrophobicContact CD2-CB 4.31Å; I64-N152 HydrophobicContact CD1-CB 3.74Å; I64-N152 HydrophobicContact CG1-CB 3.58Å; T150-N152 PolarHBondContact O-N 2.83Å; T150-N152 PolarHBondContact OG1-N 2.98Å; N152-R155 PolarHBondContact O-N 3.48Å; N152-I156 WeakPolarHBondContact O-CG1 3.07Å; N152-I156 PolarHBondContact O-N 2.99Å
153	V	96.1	Very high	95	Very high	6 Å²	6	61 Å²	61	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-46.7	174.7	171.7	0	0	0	0	110.1	I64 M72 I75 F78 I146 T150 R155 I156 D157	I64-V153 HydrophobicContact CD1-CG2 3.84Å; M72-V153 HydrophobicContact CE-CG2 4.39Å; M72-V153 HydrophobicContact SD-CG2 4.46Å; I75-V153 HydrophobicContact CD1-CG2 4.44Å; F78-V153 HydrophobicContact CE1-CG1 4.1Å; F78-V153 HydrophobicContact CZ-CG1 4Å; I146-V153 HydrophobicContact CG2-CG2 4.29Å; T150-V153 PolarHBondContact O-N 3.38Å; T150-V153 WeakPolarHBondContact OG1-CG2 3.43Å; T150-V153 PolarHBondContact OG1-N 3.41Å; V153-R155 VanDerWaalsContact C-N 3.27Å; V153-R155 PolarHBondContact O-N 2.89Å; V153-I156 WeakPolarHBondContact O-CB 3.06Å; V153-I156 PolarHBondContact O-N 2.97Å; V153-I156 VanDerWaalsContact O-N 3.09Å; V153-D157 PolarHBondContact O-N 3.09Å
154	G	96	Very high	95.3	Very high	27 Å²	27	58.4 Å²	58.4	28%	0.278	29%	0.287	S	S	.	.	H	α-helix	trans	-58.9	-37.9	174.6	0	0	0	0	0	112.8	N149 T150 F151 D157 E158	N149-G154 PolarHBondContact OD1-N 2.71Å; T150-G154 PolarHBondContact O-N 2.99Å; F151-G154 PolarHBondContact O-N 3.23Å; G154-D157 PolarHBondContact O-N 3.39Å; G154-E158 PolarHBondContact O-N 3.34Å
155	R	97.6	Very high	95.5	Very high	77 Å²	77	53.3 Å²	53.3	29%	0.291	27%	0.266	S	S	.	.	H	α-helix	trans	-68.2	-36.2	173.9	-73.1	-166	70.1	-151.9	-9.8	113.2	E56 L60 F151 N152 V153 D157 E158 Q159	E56-R155 IonicContact OE1-CZ 2.66Å; E56-R155 IonicContact OE1-NH1 2.8Å; E56-R155 PolarHBondContact OE1-NH1 2.66Å; E56-R155 IonicContact OE1-NH2 3.87Å; E56-R155 PolarHBondContact OE1-NH2 3.46Å; L60-R155 HydrophobicContact CD1-CB 3.67Å; L60-R155 HydrophobicContact CD2-CB 4.4Å; F151-R155 HydrophobicContact CE1-CG 4.19Å; F151-R155 HydrophobicContact CE2-CG 4.43Å; F151-R155 VanDerWaalsContact CZ-CD 3.48Å; F151-R155 HydrophobicContact CZ-CG 4.15Å; F151-R155 WeakPolarHBondContact O-CG 3.33Å; F151-R155 PolarHBondContact O-N 3.35Å; N152-R155 PolarHBondContact O-N 3.48Å; V153-R155 VanDerWaalsContact C-N 3.27Å; V153-R155 PolarHBondContact O-N 2.89Å; R155-D157 VanDerWaalsContact C-N 3.35Å; R155-E158 PolarHBondContact O-N 3.4Å; R155-Q159 VanDerWaalsContact O-CG 3.27Å; R155-Q159 WeakPolarHBondContact O-CG 3.05Å; R155-Q159 PolarHBondContact O-N 2.78Å
156	I	98	Very high	95.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-47	173	-74.7	174.9	0	0	0	110.1	I57 L60 R61 I64 I75 F78 I79 N152 V153 E158 Q159 I160	I57-I156 HydrophobicContact CG2-CG2 4.42Å; L60-I156 HydrophobicContact CB-CD1 3.87Å; L60-I156 HydrophobicContact CB-CG1 3.55Å; L60-I156 HydrophobicContact CD1-CG1 3.93Å; L60-I156 HydrophobicContact CG-CG1 4.4Å; R61-I156 HydrophobicContact CB-CD1 4.35Å; I64-I156 HydrophobicContact CD1-CD1 3.5Å; I75-I156 HydrophobicContact CD1-CD1 4.32Å; F78-I156 HydrophobicContact CE1-CG2 4.02Å; I79-I156 HydrophobicContact CD1-CD1 4.29Å; I79-I156 HydrophobicContact CD1-CG2 4.41Å; I79-I156 HydrophobicContact CG1-CG2 3.87Å; N152-I156 WeakPolarHBondContact O-CG1 3.07Å; N152-I156 PolarHBondContact O-N 2.99Å; V153-I156 WeakPolarHBondContact O-CB 3.06Å; V153-I156 PolarHBondContact O-N 2.97Å; V153-I156 VanDerWaalsContact O-N 3.09Å; I156-E158 VanDerWaalsContact C-N 3.33Å; I156-E158 PolarHBondContact O-N 3.01Å; I156-Q159 PolarHBondContact O-N 2.92Å; I156-Q159 VanDerWaalsContact O-N 3.14Å; I156-I160 HydrophobicContact CG2-CD1 3.71Å; I156-I160 HydrophobicContact CG2-CG1 4.28Å; I156-I160 WeakPolarHBondContact O-CG1 3.39Å; I156-I160 PolarHBondContact O-N 2.93Å
157	D	96.1	Very high	95.9	Very high	56 Å²	56	52.3 Å²	52.3	30%	0.299	26%	0.262	S	S	.	.	H	α-helix	trans	-57.2	-46.9	178	-171.8	42.2	0	0	0	111.4	Q82 V153 G154 R155 Q159 I160 Y161	Q82-D157 PolarHBondContact NE2-OD1 3.36Å; V153-D157 PolarHBondContact O-N 3.09Å; G154-D157 PolarHBondContact O-N 3.39Å; R155-D157 VanDerWaalsContact C-N 3.35Å; D157-Q159 PolarHBondContact O-N 3.24Å; D157-I160 PolarHBondContact O-N 3.45Å; D157-Y161 PolarHBondContact O-N 3.43Å
158	E	97.6	Very high	96.2	Very high	100 Å²	100	50.8 Å²	50.8	47%	0.467	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-45.6	173.4	-177.3	-173	-150.3	0	0	112.5	G154 R155 I156 I160 Y161 L162	G154-E158 PolarHBondContact O-N 3.34Å; R155-E158 PolarHBondContact O-N 3.4Å; I156-E158 VanDerWaalsContact C-N 3.33Å; I156-E158 PolarHBondContact O-N 3.01Å; E158-I160 VanDerWaalsContact C-N 3.34Å; E158-I160 PolarHBondContact O-N 3.21Å; E158-Y161 PolarHBondContact O-N 3.48Å; E158-L162 HydrophobicContact CG-CD1 3.92Å; E158-L162 HydrophobicContact CG-CG 4.44Å; E158-L162 WeakPolarHBondContact O-CB 3.34Å; E158-L162 VanDerWaalsContact O-CG 3.3Å; E158-L162 WeakPolarHBondContact O-CG 3.44Å; E158-L162 PolarHBondContact O-N 2.92Å
159	Q	98.6	Very high	96.6	Very high	10 Å²	10	49 Å²	49	5%	0.047	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-37.4	179.3	-68.2	-41.8	-73	0	0	112.3	E56 I57 L60 R155 I156 D157 K163	E56-Q159 HydrophobicContact CB-CG 4.19Å; E56-Q159 HydrophobicContact CG-CG 3.75Å; I57-Q159 HydrophobicContact CD1-CB 4.01Å; I57-Q159 HydrophobicContact CG1-CB 3.49Å; I57-Q159 VanDerWaalsContact CG1-CB 3.49Å; I57-Q159 HydrophobicContact CG1-CG 4.35Å; L60-Q159 HydrophobicContact CD1-CG 4.32Å; R155-Q159 VanDerWaalsContact O-CG 3.27Å; R155-Q159 WeakPolarHBondContact O-CG 3.05Å; R155-Q159 PolarHBondContact O-N 2.78Å; I156-Q159 PolarHBondContact O-N 2.92Å; I156-Q159 VanDerWaalsContact O-N 3.14Å; D157-Q159 PolarHBondContact O-N 3.24Å; Q159-K163 VanDerWaalsContact O-CB 3.23Å; Q159-K163 WeakPolarHBondContact O-CB 3.49Å; Q159-K163 PolarHBondContact O-N 3.5Å
160	I	98.3	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.7	-47	175.6	-66.8	171.6	0	0	0	109.5	I57 I79 Q82 W86 I156 D157 E158 L162 K163 Y164	I57-I160 HydrophobicContact CD1-CG1 3.68Å; I57-I160 HydrophobicContact CG1-CG1 4.24Å; I79-I160 HydrophobicContact CG2-CD1 4.26Å; Q82-I160 HydrophobicContact CB-CD1 3.61Å; Q82-I160 HydrophobicContact CB-CG2 4.25Å; Q82-I160 HydrophobicContact CG-CD1 4.35Å; W86-I160 HydrophobicContact CG-CG2 4.28Å; I156-I160 HydrophobicContact CG2-CD1 3.71Å; I156-I160 HydrophobicContact CG2-CG1 4.28Å; I156-I160 WeakPolarHBondContact O-CG1 3.39Å; I156-I160 PolarHBondContact O-N 2.93Å; D157-I160 PolarHBondContact O-N 3.45Å; E158-I160 VanDerWaalsContact C-N 3.34Å; E158-I160 PolarHBondContact O-N 3.21Å; I160-L162 PolarHBondContact O-N 3.25Å; I160-K163 WeakPolarHBondContact O-CB 3.3Å; I160-K163 PolarHBondContact O-N 3.08Å; I160-Y164 HydrophobicContact CG2-CD2 3.95Å; I160-Y164 HydrophobicContact CG2-CE2 3.98Å; I160-Y164 VanDerWaalsContact O-CD2 3.28Å; I160-Y164 WeakPolarHBondContact O-CD2 3.27Å; I160-Y164 PolarHBondContact O-N 3.46Å; I160-Y164 VanDerWaalsContact O-N 3.12Å
161	Y	97.2	Very high	97.1	Very high	109 Å²	109	43.3 Å²	43.3	43%	0.427	21%	0.211	S	C	.	.	H	α-helix	trans	-55	-53.3	175.6	167.3	-113.2	0	0	0	111.7	W86 D157 E158 K163 Y164 V165	W86-Y161 HydrophobicContact CD2-CD2 4.46Å; W86-Y161 HydrophobicContact CE3-CD2 4.26Å; W86-Y161 AromaticContact CH2-CD2 3.29Å; W86-Y161 HydrophobicContact CH2-CD2 3.29Å; W86-Y161 AromaticContact CH2-CE2 3.7Å; W86-Y161 HydrophobicContact CH2-CE2 3.7Å; W86-Y161 HydrophobicContact CH2-CG 4.4Å; W86-Y161 AromaticContact CZ2-CD2 3.5Å; W86-Y161 HydrophobicContact CZ2-CD2 3.5Å; W86-Y161 HydrophobicContact CZ2-CE2 4.33Å; W86-Y161 HydrophobicContact CZ2-CG 4.23Å; W86-Y161 AromaticContact CZ3-CD2 3.69Å; W86-Y161 HydrophobicContact CZ3-CD2 3.69Å; W86-Y161 AromaticContact CZ3-CE2 3.97Å; W86-Y161 HydrophobicContact CZ3-CE2 3.97Å; D157-Y161 PolarHBondContact O-N 3.43Å; E158-Y161 PolarHBondContact O-N 3.48Å; Y161-K163 VanDerWaalsContact C-N 3.34Å; Y161-K163 PolarHBondContact O-N 2.92Å; Y161-Y164 PolarHBondContact O-N 3.45Å; Y161-Y164 VanDerWaalsContact O-N 3.11Å; Y161-V165 HydrophobicContact CD2-CG2 4.29Å; Y161-V165 HydrophobicContact CE1-CG2 4.18Å; Y161-V165 HydrophobicContact CE2-CG2 3.79Å; Y161-V165 PolarHBondContact O-N 2.03Å
162	L	98.5	Very high	97.1	Very high	43 Å²	43	37.6 Å²	37.6	23%	0.225	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-40	-179.1	-68.6	172.7	0	0	0	112	E158 I160 Y164 V165 D166	E158-L162 HydrophobicContact CG-CD1 3.92Å; E158-L162 HydrophobicContact CG-CG 4.44Å; E158-L162 WeakPolarHBondContact O-CB 3.34Å; E158-L162 VanDerWaalsContact O-CG 3.3Å; E158-L162 WeakPolarHBondContact O-CG 3.44Å; E158-L162 PolarHBondContact O-N 2.92Å; I160-L162 PolarHBondContact O-N 3.25Å; L162-Y164 VanDerWaalsContact C-N 3.26Å; L162-Y164 PolarHBondContact O-N 3.37Å; L162-V165 WeakPolarHBondContact O-CB 3.42Å; L162-V165 PolarHBondContact O-N 3.11Å; L162-D166 PolarHBondContact O-N 3.16Å
163	K	98.6	Very high	97.2	Very high	27 Å²	27	37.2 Å²	37.2	12%	0.117	18%	0.184	C	C	.	.	H	α-helix	trans	-53.2	-45.5	173.2	173.2	-176.2	174	178.5	0	111.3	I50 R53 D54 I57 Q159 I160 Y161 D166 V167	I50-K163 HydrophobicContact CG2-CG 4.33Å; R53-K163 HydrophobicContact CB-CB 3.9Å; R53-K163 HydrophobicContact CG-CB 4.16Å; D54-K163 WeakPolarHBondContact OD1-CD 3.39Å; D54-K163 WeakPolarHBondContact OD1-CE 3.48Å; D54-K163 IonicContact OD1-NZ 3.71Å; D54-K163 PolarHBondContact OD1-NZ 3.13Å; D54-K163 IonicContact OD2-NZ 3.37Å; I57-K163 HydrophobicContact CD1-CD 4.4Å; Q159-K163 VanDerWaalsContact O-CB 3.23Å; Q159-K163 WeakPolarHBondContact O-CB 3.49Å; Q159-K163 PolarHBondContact O-N 3.5Å; I160-K163 WeakPolarHBondContact O-CB 3.3Å; I160-K163 PolarHBondContact O-N 3.08Å; Y161-K163 VanDerWaalsContact C-N 3.34Å; Y161-K163 PolarHBondContact O-N 2.92Å; K163-D166 PolarHBondContact O-N 3.18Å; K163-V167 HydrophobicContact CG-CG2 4.42Å; K163-V167 VanDerWaalsContact O-CG2 3.29Å; K163-V167 WeakPolarHBondContact O-CG2 3.45Å; K163-V167 PolarHBondContact O-N 3.12Å
164	Y	97.5	Very high	97.1	Very high	19 Å²	19	40.9 Å²	40.9	8%	0.075	20%	0.2	C	C	.	.	H	α-helix	trans	-79.7	-22	-177.6	-78.9	-73	0	0	0	114.2	N83 W86 I87 T90 I160 Y161 L162 V167 K168	N83-Y164 HydrophobicContact CB-CE2 4.29Å; N83-Y164 VanDerWaalsContact OD1-CE2 3.23Å; N83-Y164 WeakPolarHBondContact OD1-CE2 3.3Å; N83-Y164 PolarHBondContact OD1-OH 3.14Å; W86-Y164 HydrophobicContact CB-CD1 4.28Å; W86-Y164 HydrophobicContact CB-CD2 3.19Å; W86-Y164 HydrophobicContact CB-CE2 3.78Å; W86-Y164 HydrophobicContact CB-CG 3.5Å; W86-Y164 VanDerWaalsContact CB-CG 3.5Å; W86-Y164 HydrophobicContact CG-CD2 4.04Å; W86-Y164 HydrophobicContact CG-CG 4.47Å; I87-Y164 HydrophobicContact CB-CE1 4.33Å; I87-Y164 HydrophobicContact CD1-CE1 4.45Å; I87-Y164 WeakPolarHBondContact CD1-OH 3.38Å; I87-Y164 HydrophobicContact CG1-CD1 4.43Å; I87-Y164 HydrophobicContact CG1-CE1 3.38Å; I87-Y164 VanDerWaalsContact CG1-CZ 3.49Å; I87-Y164 VanDerWaalsContact CG1-OH 3.23Å; I87-Y164 WeakPolarHBondContact CG1-OH 3.27Å; T90-Y164 WeakPolarHBondContact OG1-CB 3.32Å; I160-Y164 HydrophobicContact CG2-CD2 3.95Å; I160-Y164 HydrophobicContact CG2-CE2 3.98Å; I160-Y164 VanDerWaalsContact O-CD2 3.28Å; I160-Y164 WeakPolarHBondContact O-CD2 3.27Å; I160-Y164 PolarHBondContact O-N 3.46Å; I160-Y164 VanDerWaalsContact O-N 3.12Å; Y161-Y164 PolarHBondContact O-N 3.45Å; Y161-Y164 VanDerWaalsContact O-N 3.11Å; L162-Y164 VanDerWaalsContact C-N 3.26Å; L162-Y164 PolarHBondContact O-N 3.37Å; Y164-V167 HydrophobicContact CD1-CB 4.16Å; Y164-V167 HydrophobicContact CD1-CG1 4.33Å; Y164-V167 HydrophobicContact CD1-CG2 4.29Å; Y164-K168 VanDerWaalsContact O-CB 3.31Å; Y164-K168 WeakPolarHBondContact O-CB 3.23Å; Y164-K168 PolarHBondContact O-N 3.37Å
165	V	98	Very high	97	Very high	39 Å²	39	39.8 Å²	39.8	24%	0.236	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-48.1	162.1	174.2	0	0	0	0	110	Y161 L162 V167 K168 D169	Y161-V165 HydrophobicContact CD2-CG2 4.29Å; Y161-V165 HydrophobicContact CE1-CG2 4.18Å; Y161-V165 HydrophobicContact CE2-CG2 3.79Å; Y161-V165 PolarHBondContact O-N 2.03Å; L162-V165 WeakPolarHBondContact O-CB 3.42Å; L162-V165 PolarHBondContact O-N 3.11Å; V165-V167 PolarHBondContact O-N 3.39Å; V165-K168 WeakPolarHBondContact O-CB 3.29Å; V165-K168 PolarHBondContact O-N 3.31Å; V165-D169 PolarHBondContact O-N 2.69Å
166	D	98.5	Very high	96.8	Very high	20 Å²	20	37.9 Å²	37.9	11%	0.107	18%	0.181	C	C	.	.	H	α-helix	trans	-66.3	-37.7	178.8	-64	-38.5	0	0	0	112.2	L46 Y49 I50 L162 K163 D169 L170	L46-D166 HydrophobicContact CD2-CB 4.25Å; Y49-D166 WeakPolarHBondContact CB-OD2 3.36Å; I50-D166 HydrophobicContact CD1-CB 4.33Å; I50-D166 HydrophobicContact CG1-CB 3.71Å; L162-D166 PolarHBondContact O-N 3.16Å; K163-D166 PolarHBondContact O-N 3.18Å; D166-D169 PolarHBondContact O-N 2.96Å; D166-L170 VanDerWaalsContact O-CB 3.28Å; D166-L170 WeakPolarHBondContact O-CB 2.94Å; D166-L170 PolarHBondContact O-N 3.48Å
167	V	97.5	Very high	96.7	Very high	25 Å²	25	40.5 Å²	40.5	15%	0.152	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-43.2	174.6	169.1	0	0	0	0	111.3	I50 T90 K163 Y164 V165 L170 D171	I50-V167 HydrophobicContact CD1-CB 4.48Å; I50-V167 HydrophobicContact CD1-CG2 3.74Å; I50-V167 HydrophobicContact CG1-CG2 4.06Å; T90-V167 HydrophobicContact CG2-CG1 4.28Å; K163-V167 HydrophobicContact CG-CG2 4.42Å; K163-V167 VanDerWaalsContact O-CG2 3.29Å; K163-V167 WeakPolarHBondContact O-CG2 3.45Å; K163-V167 PolarHBondContact O-N 3.12Å; Y164-V167 HydrophobicContact CD1-CB 4.16Å; Y164-V167 HydrophobicContact CD1-CG1 4.33Å; Y164-V167 HydrophobicContact CD1-CG2 4.29Å; V165-V167 PolarHBondContact O-N 3.39Å; V167-L170 PolarHBondContact O-N 2.9Å; V167-D171 WeakPolarHBondContact O-CB 3.34Å; V167-D171 PolarHBondContact O-N 2.98Å
168	K	96.1	Very high	96.6	Very high	52 Å²	52	39 Å²	39	23%	0.226	19%	0.185	C	C	.	.	H	α-helix	trans	-58.8	-49.8	176.6	-176.8	-159.2	70.4	-174.2	0	110.6	T90 Q93 V94 Y164 V165 L170 D171 I172	T90-K168 HydrophobicContact CG2-CB 3.67Å; T90-K168 HydrophobicContact CG2-CG 4.28Å; Q93-K168 HydrophobicContact CB-CD 4.1Å; Q93-K168 HydrophobicContact CB-CG 4.4Å; V94-K168 HydrophobicContact CG2-CB 4.27Å; V94-K168 HydrophobicContact CG2-CG 3.78Å; Y164-K168 VanDerWaalsContact O-CB 3.31Å; Y164-K168 WeakPolarHBondContact O-CB 3.23Å; Y164-K168 PolarHBondContact O-N 3.37Å; V165-K168 WeakPolarHBondContact O-CB 3.29Å; V165-K168 PolarHBondContact O-N 3.31Å; K168-L170 VanDerWaalsContact C-N 3.29Å; K168-L170 PolarHBondContact O-N 3.34Å; K168-D171 PolarHBondContact O-N 3.39Å; K168-I172 HydrophobicContact CG-CD1 4.09Å; K168-I172 WeakPolarHBondContact O-CG1 3.39Å; K168-I172 PolarHBondContact O-N 3.42Å
169	D	97.5	Very high	96.5	Very high	47 Å²	47	34.2 Å²	34.2	25%	0.251	16%	0.163	S	C	.	.	H	α-helix	trans	-64.3	-36.3	179.8	-71.5	3.4	0	0	0	111.2	L46 V165 D166 I172 E173	L46-D169 HydrophobicContact CD1-CB 4Å; L46-D169 HydrophobicContact CD2-CB 3.97Å; V165-D169 PolarHBondContact O-N 2.69Å; D166-D169 PolarHBondContact O-N 2.96Å; D169-I172 PolarHBondContact O-N 3.45Å; D169-E173 WeakPolarHBondContact O-CB 3.49Å; D169-E173 WeakPolarHBondContact O-CG 3.45Å; D169-E173 PolarHBondContact O-N 3.11Å
170	L	97.2	Very high	96.3	Very high	26 Å²	26	33.7 Å²	33.7	14%	0.136	16%	0.161	C	C	.	.	H	α-helix	trans	-65.9	-46.4	176.5	176.8	62.9	0	0	0	111.9	M43 L46 R47 I50 D166 V167 K168 I172 E173 F174	M43-L170 HydrophobicContact CB-CD1 3.8Å; M43-L170 HydrophobicContact CG-CD1 3.82Å; L46-L170 HydrophobicContact CB-CB 4.12Å; L46-L170 HydrophobicContact CB-CD1 4.25Å; L46-L170 HydrophobicContact CD1-CB 4.17Å; R47-L170 HydrophobicContact CG-CD1 4.16Å; R47-L170 HydrophobicContact CG-CD2 3.85Å; I50-L170 HydrophobicContact CD1-CB 4.37Å; I50-L170 HydrophobicContact CD1-CD2 3.65Å; D166-L170 VanDerWaalsContact O-CB 3.28Å; D166-L170 WeakPolarHBondContact O-CB 2.94Å; D166-L170 PolarHBondContact O-N 3.48Å; V167-L170 PolarHBondContact O-N 2.9Å; K168-L170 VanDerWaalsContact C-N 3.29Å; K168-L170 PolarHBondContact O-N 3.34Å; L170-I172 VanDerWaalsContact C-N 3.3Å; L170-I172 PolarHBondContact O-N 3.04Å; L170-E173 PolarHBondContact O-N 3.06Å; L170-F174 WeakPolarHBondContact O-CB 3.39Å; L170-F174 PolarHBondContact O-N 2.98Å
171	D	94.7	Very high	96.1	Very high	23 Å²	23	38 Å²	38	12%	0.123	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-41.4	177.8	-79.5	-13.6	0	0	0	110.2	V94 K126 V167 K168 F174 I175	V94-D171 HydrophobicContact CG1-CB 3.88Å; V94-D171 HydrophobicContact CG2-CB 3.93Å; K126-D171 IonicContact NZ-OD1 3.39Å; K126-D171 PolarHBondContact NZ-OD1 3.44Å; K126-D171 VanDerWaalsContact NZ-OD1 3.17Å; K126-D171 IonicContact NZ-OD2 2.66Å; K126-D171 PolarHBondContact NZ-OD2 3.24Å; V167-D171 WeakPolarHBondContact O-CB 3.34Å; V167-D171 PolarHBondContact O-N 2.98Å; K168-D171 PolarHBondContact O-N 3.39Å; D171-F174 PolarHBondContact O-N 3.26Å; D171-I175 WeakPolarHBondContact O-CG1 3.21Å; D171-I175 PolarHBondContact O-N 2.9Å; D171-I175 VanDerWaalsContact O-N 3.16Å
172	I	94.8	Very high	95.9	Very high	37 Å²	37	34.3 Å²	34.3	19%	0.19	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-48	176.3	-72.8	169.6	0	0	0	111.8	A97 L101 K168 D169 L170 F174 I175 K176	A97-I172 HydrophobicContact CB-CD1 3.59Å; A97-I172 HydrophobicContact CB-CG1 3.92Å; L101-I172 HydrophobicContact CD1-CG2 3.84Å; K168-I172 HydrophobicContact CG-CD1 4.09Å; K168-I172 WeakPolarHBondContact O-CG1 3.39Å; K168-I172 PolarHBondContact O-N 3.42Å; D169-I172 PolarHBondContact O-N 3.45Å; L170-I172 VanDerWaalsContact C-N 3.3Å; L170-I172 PolarHBondContact O-N 3.04Å; I172-F174 VanDerWaalsContact C-N 3.25Å; I172-F174 PolarHBondContact O-N 3.43Å; I172-I175 PolarHBondContact O-N 3.21Å; I172-K176 WeakPolarHBondContact O-CB 3.23Å; I172-K176 PolarHBondContact O-N 3.18Å
173	E	96.1	Very high	95.7	Very high	39 Å²	39	32.3 Å²	32.3	18%	0.182	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-33.5	178.5	-80.1	-65.3	158	0	0	112.3	S39 R42 M43 L46 D169 L170 K176 Y177	S39-E173 WeakPolarHBondContact CB-OE2 3.36Å; S39-E173 PolarHBondContact OG-OE2 3.31Å; R42-E173 HydrophobicContact CB-CG 4.45Å; R42-E173 HydrophobicContact CG-CG 3.83Å; M43-E173 HydrophobicContact CG-CB 3.89Å; L46-E173 HydrophobicContact CD1-CG 4.38Å; D169-E173 WeakPolarHBondContact O-CB 3.49Å; D169-E173 WeakPolarHBondContact O-CG 3.45Å; D169-E173 PolarHBondContact O-N 3.11Å; L170-E173 PolarHBondContact O-N 3.06Å; E173-K176 PolarHBondContact O-N 2.97Å; E173-Y177 VanDerWaalsContact O-CB 3.29Å; E173-Y177 WeakPolarHBondContact O-CB 3.28Å; E173-Y177 PolarHBondContact O-N 3.33Å
174	F	94.6	Very high	95.4	Very high	83 Å²	83	32.6 Å²	32.6	36%	0.364	16%	0.158	S	C	.	.	H	α-helix	trans	-67.6	-40	176.3	-173.1	-120.4	0	0	0	112.5	M43 W119 L170 D171 I172 Y177 S178	M43-F174 HydrophobicContact SD-CB 3.99Å; M43-F174 HydrophobicContact SD-CD2 3.77Å; M43-F174 HydrophobicContact SD-CG 4.38Å; W119-F174 AromaticContact CH2-CD1 3.51Å; W119-F174 HydrophobicContact CH2-CD1 3.51Å; W119-F174 AromaticContact CH2-CE1 3.07Å; W119-F174 HydrophobicContact CH2-CE1 3.07Å; W119-F174 AromaticContact CH2-CZ 3.88Å; W119-F174 HydrophobicContact CH2-CZ 3.88Å; W119-F174 HydrophobicContact CZ2-CD1 4.41Å; W119-F174 HydrophobicContact CZ2-CE1 4.17Å; W119-F174 AromaticContact CZ3-CD1 3.57Å; W119-F174 HydrophobicContact CZ3-CD1 3.57Å; W119-F174 AromaticContact CZ3-CE1 3.36Å; W119-F174 HydrophobicContact CZ3-CE1 3.36Å; L170-F174 WeakPolarHBondContact O-CB 3.39Å; L170-F174 PolarHBondContact O-N 2.98Å; D171-F174 PolarHBondContact O-N 3.26Å; I172-F174 VanDerWaalsContact C-N 3.25Å; I172-F174 PolarHBondContact O-N 3.43Å; F174-Y177 PolarHBondContact O-N 3.43Å; F174-S178 PolarHBondContact O-N 3.07Å
175	I	93.8	Very high	95.1	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.015	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-45.3	175.1	-68	168.3	0	0	0	110.3	V94 T98 W119 I123 D171 I172 Y177 S178 Y179	V94-I175 HydrophobicContact CG1-CD1 4.16Å; T98-I175 HydrophobicContact CG2-CD1 4Å; T98-I175 HydrophobicContact CG2-CG2 4.14Å; T98-I175 WeakPolarHBondContact OG1-CD1 3.49Å; W119-I175 HydrophobicContact CB-CD1 4.47Å; W119-I175 HydrophobicContact CD2-CG1 3.9Å; W119-I175 HydrophobicContact CE3-CG1 4.11Å; W119-I175 HydrophobicContact CG-CG1 4.07Å; I123-I175 HydrophobicContact CD1-CD1 4.03Å; D171-I175 WeakPolarHBondContact O-CG1 3.21Å; D171-I175 PolarHBondContact O-N 2.9Å; D171-I175 VanDerWaalsContact O-N 3.16Å; I172-I175 PolarHBondContact O-N 3.21Å; I175-Y177 VanDerWaalsContact C-N 3.35Å; I175-Y177 PolarHBondContact O-N 3.29Å; I175-S178 WeakPolarHBondContact O-CB 3.48Å; I175-S178 PolarHBondContact O-N 3.31Å; I175-S178 VanDerWaalsContact O-N 3.14Å; I175-Y179 HydrophobicContact CG2-CD2 4.23Å; I175-Y179 HydrophobicContact CG2-CE1 4.37Å; I175-Y179 HydrophobicContact CG2-CE2 3.78Å; I175-Y179 PolarHBondContact O-N 2.88Å
176	K	94.4	Very high	94.8	Very high	38 Å²	38	35.2 Å²	35.2	17%	0.165	17%	0.172	C	C	.	.	H	α-helix	trans	-56.1	-49.6	174.4	-179	-178.9	173.4	176.7	0	111.5	E35 I172 E173 S178 Y179 L180	E35-K176 WeakPolarHBondContact OE1-CE 3.34Å; E35-K176 IonicContact OE1-NZ 3.99Å; E35-K176 PolarHBondContact OE1-NZ 3.48Å; I172-K176 WeakPolarHBondContact O-CB 3.23Å; I172-K176 PolarHBondContact O-N 3.18Å; E173-K176 PolarHBondContact O-N 2.97Å; K176-S178 VanDerWaalsContact C-N 3.29Å; K176-S178 PolarHBondContact O-N 3.35Å; K176-Y179 PolarHBondContact O-N 3.37Å; K176-L180 HydrophobicContact CG-CD1 3.99Å; K176-L180 HydrophobicContact CG-CG 4.47Å; K176-L180 WeakPolarHBondContact O-CG 3.34Å; K176-L180 PolarHBondContact O-N 2.87Å
177	Y	95.1	Very high	94.3	Very high	54 Å²	54	36.1 Å²	36.1	21%	0.212	18%	0.176	C	C	.	.	H	α-helix	trans	-54.4	-45.2	175.2	172.5	-83.2	0	0	0	111.7	I36 E40 M43 E173 F174 I175 Y179 L180 F181	I36-Y177 HydrophobicContact CG2-CD2 3.97Å; I36-Y177 HydrophobicContact CG2-CE2 3.53Å; E40-Y177 HydrophobicContact CG-CD2 3.9Å; E40-Y177 HydrophobicContact CG-CE2 3.49Å; E40-Y177 VanDerWaalsContact CG-CE2 3.49Å; M43-Y177 HydrophobicContact CE-CD1 4.49Å; M43-Y177 HydrophobicContact CE-CD2 3.74Å; M43-Y177 HydrophobicContact CE-CE2 4.39Å; M43-Y177 HydrophobicContact CE-CG 3.8Å; E173-Y177 VanDerWaalsContact O-CB 3.29Å; E173-Y177 WeakPolarHBondContact O-CB 3.28Å; E173-Y177 PolarHBondContact O-N 3.33Å; F174-Y177 PolarHBondContact O-N 3.43Å; I175-Y177 VanDerWaalsContact C-N 3.35Å; I175-Y177 PolarHBondContact O-N 3.29Å; Y177-Y179 PolarHBondContact O-N 3.26Å; Y177-L180 PolarHBondContact O-N 3.34Å; Y177-F181 PolarHBondContact O-N 3.37Å
178	S	94.1	Very high	93.7	Very high	24 Å²	24	37.3 Å²	37.3	17%	0.168	19%	0.185	C	C	.	.	H	α-helix	trans	-61.4	-43	177.5	178.3	0	0	0	0	112.6	F174 I175 K176 F181 Q182	F174-S178 PolarHBondContact O-N 3.07Å; I175-S178 WeakPolarHBondContact O-CB 3.48Å; I175-S178 PolarHBondContact O-N 3.31Å; I175-S178 VanDerWaalsContact O-N 3.14Å; K176-S178 VanDerWaalsContact C-N 3.29Å; K176-S178 PolarHBondContact O-N 3.35Å; S178-F181 PolarHBondContact O-N 3.21Å; S178-Q182 WeakPolarHBondContact O-CG 3.4Å; S178-Q182 PolarHBondContact O-N 2.93Å; S178-Q182 VanDerWaalsContact O-N 3.12Å; S178-Q182 PolarHBondContact O-NE2 3.27Å; S178-Q182 PolarHBondContact OG-NE2 2.97Å
179	Y	94.6	Very high	92.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-40.8	177.5	-69.1	-11.7	0	0	0	112.6	L101 Q102 Y105 F114 I175 K176 Y177 F181 Q182 I183	L101-Y179 HydrophobicContact CB-CE2 4.41Å; Q102-Y179 HydrophobicContact CB-CE2 4.13Å; Y105-Y179 HydrophobicContact CD1-CD2 4.42Å; Y105-Y179 HydrophobicContact CD2-CD2 4.43Å; Y105-Y179 HydrophobicContact CG-CD2 4.18Å; F114-Y179 HydrophobicContact CB-CD1 4.26Å; F114-Y179 HydrophobicContact CB-CE1 4.02Å; F114-Y179 AromaticContact CD1-CD1 3.6Å; F114-Y179 HydrophobicContact CD1-CD1 3.6Å; F114-Y179 HydrophobicContact CD1-CD2 4.4Å; F114-Y179 HydrophobicContact CD1-CE1 4.2Å; F114-Y179 AromaticContact CD1-CG 3.71Å; F114-Y179 HydrophobicContact CD1-CG 3.71Å; F114-Y179 HydrophobicContact CE1-CD1 4.42Å; F114-Y179 HydrophobicContact CE1-CG 4.12Å; F114-Y179 HydrophobicContact CG-CD1 4.3Å; F114-Y179 HydrophobicContact CG-CE1 4.47Å; I175-Y179 HydrophobicContact CG2-CD2 4.23Å; I175-Y179 HydrophobicContact CG2-CE1 4.37Å; I175-Y179 HydrophobicContact CG2-CE2 3.78Å; I175-Y179 PolarHBondContact O-N 2.88Å; K176-Y179 PolarHBondContact O-N 3.37Å; Y177-Y179 PolarHBondContact O-N 3.26Å; Y179-F181 VanDerWaalsContact C-N 3.28Å; Y179-F181 PolarHBondContact O-N 3.4Å; Y179-Q182 PolarHBondContact O-N 3.04Å; Y179-I183 WeakPolarHBondContact O-CD1 3.15Å; Y179-I183 WeakPolarHBondContact O-CG1 3.19Å; Y179-I183 PolarHBondContact O-N 3.45Å
180	L	94.8	Very high	91	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-38.1	175.4	-69.3	167.3	0	0	0	112	I32 E35 I36 Y105 K176 Y177 I183 L184	I32-L180 HydrophobicContact CD1-CD2 4.35Å; I32-L180 HydrophobicContact CG2-CB 4.29Å; I32-L180 HydrophobicContact CG2-CD2 4.27Å; I32-L180 WeakPolarHBondContact CG2-O 3.46Å; E35-L180 HydrophobicContact CB-CD1 3.95Å; E35-L180 HydrophobicContact CB-CD2 4.31Å; E35-L180 HydrophobicContact CG-CD1 3.61Å; E35-L180 HydrophobicContact CG-CD2 4.27Å; E35-L180 VanDerWaalsContact OE2-CD2 3.23Å; E35-L180 WeakPolarHBondContact OE2-CD2 3.31Å; I36-L180 HydrophobicContact CD1-CB 4.11Å; I36-L180 HydrophobicContact CG1-CB 3.56Å; I36-L180 HydrophobicContact CG1-CD1 4.25Å; Y105-L180 HydrophobicContact CE1-CD2 3.89Å; Y105-L180 HydrophobicContact CE1-CG 4.18Å; K176-L180 HydrophobicContact CG-CD1 3.99Å; K176-L180 HydrophobicContact CG-CG 4.47Å; K176-L180 WeakPolarHBondContact O-CG 3.34Å; K176-L180 PolarHBondContact O-N 2.87Å; Y177-L180 PolarHBondContact O-N 3.34Å; L180-I183 HydrophobicContact CD2-CD1 4.47Å; L180-I183 PolarHBondContact O-N 2.98Å; L180-L184 WeakPolarHBondContact O-CB 3.24Å; L180-L184 PolarHBondContact O-N 3.36Å
181	F	93.8	Very high	89.2	Confident	90 Å²	90	49.6 Å²	49.6	40%	0.395	24%	0.24	S	C	.	.	H	α-helix	trans	-64.4	-44.9	175.7	-163.3	-99.1	0	0	0	111.8	Y177 S178 Y179 I183 L184 E185	Y177-F181 PolarHBondContact O-N 3.37Å; S178-F181 PolarHBondContact O-N 3.21Å; Y179-F181 VanDerWaalsContact C-N 3.28Å; Y179-F181 PolarHBondContact O-N 3.4Å; F181-I183 VanDerWaalsContact C-N 3.31Å; F181-I183 PolarHBondContact O-N 3.11Å; F181-L184 PolarHBondContact O-N 3.05Å; F181-L184 VanDerWaalsContact O-N 3.14Å; F181-E185 HydrophobicContact CD1-CG 4.12Å; F181-E185 VanDerWaalsContact CE1-CD 3.49Å; F181-E185 HydrophobicContact CE1-CG 3.96Å; F181-E185 WeakPolarHBondContact CE1-OE1 3.26Å; F181-E185 WeakPolarHBondContact O-CG 3.33Å; F181-E185 PolarHBondContact O-N 3.13Å
182	Q	93.7	Very high	87.2	Confident	32 Å²	32	58 Å²	58	15%	0.15	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-36.4	176.2	-71.2	171.2	65.2	0	0	112.7	V112 N113 F114 S178 Y179 A186	V112-Q182 HydrophobicContact CG1-CB 4.23Å; N113-Q182 PolarHBondContact O-OE1 2.95Å; F114-Q182 VanDerWaalsContact CA-OE1 3.29Å; S178-Q182 WeakPolarHBondContact O-CG 3.4Å; S178-Q182 PolarHBondContact O-N 2.93Å; S178-Q182 VanDerWaalsContact O-N 3.12Å; S178-Q182 PolarHBondContact O-NE2 3.27Å; S178-Q182 PolarHBondContact OG-NE2 2.97Å; Y179-Q182 PolarHBondContact O-N 3.04Å; Q182-A186 WeakPolarHBondContact O-CB 3.17Å; Q182-A186 PolarHBondContact O-N 2.8Å
183	I	93.7	Very high	85.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-48.7	172.3	-69.3	157.1	0	0	0	110.3	I32 Y105 Y109 V112 F114 Y179 L180 F181 E185 A186 M187	I32-I183 HydrophobicContact CD1-CG2 4.11Å; I32-I183 HydrophobicContact CG1-CG2 4.2Å; Y105-I183 HydrophobicContact CD1-CD1 3.42Å; Y105-I183 VanDerWaalsContact CD1-CD1 3.42Å; Y105-I183 HydrophobicContact CE1-CD1 3.56Å; Y109-I183 HydrophobicContact CD1-CD1 4.47Å; Y109-I183 HydrophobicContact CD1-CG1 4.34Å; Y109-I183 HydrophobicContact CD1-CG2 3.88Å; Y109-I183 HydrophobicContact CD2-CD1 3.43Å; Y109-I183 VanDerWaalsContact CD2-CD1 3.43Å; Y109-I183 HydrophobicContact CD2-CG1 3.93Å; Y109-I183 HydrophobicContact CE1-CD1 4.48Å; Y109-I183 HydrophobicContact CE1-CG2 3.81Å; Y109-I183 HydrophobicContact CE2-CD1 3.41Å; Y109-I183 VanDerWaalsContact CE2-CD1 3.41Å; Y109-I183 HydrophobicContact CE2-CG1 4.27Å; Y109-I183 HydrophobicContact CG-CD1 3.97Å; Y109-I183 HydrophobicContact CG-CG1 3.96Å; Y109-I183 HydrophobicContact CG-CG2 4.35Å; V112-I183 HydrophobicContact CG1-CG1 4.31Å; V112-I183 HydrophobicContact CG2-CG1 4.16Å; F114-I183 HydrophobicContact CE1-CD1 4.11Å; F114-I183 HydrophobicContact CE1-CG1 3.86Å; F114-I183 HydrophobicContact CZ-CD1 4.12Å; F114-I183 HydrophobicContact CZ-CG1 3.87Å; Y179-I183 WeakPolarHBondContact O-CD1 3.15Å; Y179-I183 WeakPolarHBondContact O-CG1 3.19Å; Y179-I183 PolarHBondContact O-N 3.45Å; L180-I183 HydrophobicContact CD2-CD1 4.47Å; L180-I183 PolarHBondContact O-N 2.98Å; F181-I183 VanDerWaalsContact C-N 3.31Å; F181-I183 PolarHBondContact O-N 3.11Å; I183-E185 VanDerWaalsContact C-N 3.31Å; I183-E185 PolarHBondContact O-N 3.08Å; I183-A186 PolarHBondContact O-N 2.62Å; I183-M187 HydrophobicContact CG2-CG 4.24Å; I183-M187 HydrophobicContact CG2-SD 3.82Å; I183-M187 VanDerWaalsContact O-CG 3.28Å; I183-M187 WeakPolarHBondContact O-CG 3.26Å; I183-M187 PolarHBondContact O-N 2.68Å
184	L	93.2	Very high	82.7	Confident	34 Å²	34	73 Å²	73	18%	0.178	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-41.4	-178.2	-174.9	63.1	0	0	0	111.8	P29 I32 K33 I36 L180 F181 M187 S188	P29-L184 HydrophobicContact CB-CD1 4.09Å; I32-L184 HydrophobicContact CG2-CB 3.95Å; I32-L184 HydrophobicContact CG2-CD1 4.47Å; K33-L184 HydrophobicContact CG-CD1 4.17Å; K33-L184 HydrophobicContact CG-CD2 3.89Å; I36-L184 HydrophobicContact CD1-CB 4.47Å; I36-L184 HydrophobicContact CD1-CD2 3.96Å; L180-L184 WeakPolarHBondContact O-CB 3.24Å; L180-L184 PolarHBondContact O-N 3.36Å; F181-L184 PolarHBondContact O-N 3.05Å; F181-L184 VanDerWaalsContact O-N 3.14Å; L184-M187 PolarHBondContact O-N 3.13Å; L184-S188 PolarHBondContact O-N 3.27Å; L184-S188 PolarHBondContact O-OG 3.17Å
185	E	91.9	Very high	82.1	Confident	94 Å²	94	72.5 Å²	72.5	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-59.5	-51.5	173.8	-73.9	-179.1	143.9	0	0	111.1	F181 I183 M187 S188 D189	F181-E185 HydrophobicContact CD1-CG 4.12Å; F181-E185 VanDerWaalsContact CE1-CD 3.49Å; F181-E185 HydrophobicContact CE1-CG 3.96Å; F181-E185 WeakPolarHBondContact CE1-OE1 3.26Å; F181-E185 WeakPolarHBondContact O-CG 3.33Å; F181-E185 PolarHBondContact O-N 3.13Å; I183-E185 VanDerWaalsContact C-N 3.31Å; I183-E185 PolarHBondContact O-N 3.08Å; E185-M187 VanDerWaalsContact C-N 3.28Å; E185-M187 PolarHBondContact O-N 2.98Å; E185-S188 PolarHBondContact O-N 3.1Å; E185-S188 VanDerWaalsContact O-N 3.08Å; E185-S188 PolarHBondContact O-OG 3.45Å; E185-D189 PolarHBondContact O-N 2.71Å; E185-D189 VanDerWaalsContact O-N 3.13Å
186	A	91.6	Very high	81.5	Confident	19 Å²	19	76.1 Å²	76.1	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-59.3	-39.3	179	0	0	0	0	0	112.3	V112 Q182 I183 D189 Y190	V112-A186 HydrophobicContact CG2-CB 3.83Å; Q182-A186 WeakPolarHBondContact O-CB 3.17Å; Q182-A186 PolarHBondContact O-N 2.8Å; I183-A186 PolarHBondContact O-N 2.62Å; A186-D189 PolarHBondContact O-N 3.15Å; A186-Y190 WeakPolarHBondContact O-CD2 3.41Å; A186-Y190 PolarHBondContact O-N 3.08Å
187	M	87.7	Confident	80.7	Confident	38 Å²	38	78.2 Å²	78.2	19%	0.187	37%	0.372	C	S	.	.	H	α-helix	trans	-65.3	-37.9	176.4	-70.3	178	79.5	0	0	112.6	N27 P29 I32 I183 L184 E185 D189 Y190	N27-M187 WeakPolarHBondContact O-CE 3.25Å; P29-M187 HydrophobicContact CG-CE 3.75Å; I32-M187 HydrophobicContact CG1-SD 4.04Å; I183-M187 HydrophobicContact CG2-CG 4.24Å; I183-M187 HydrophobicContact CG2-SD 3.82Å; I183-M187 VanDerWaalsContact O-CG 3.28Å; I183-M187 WeakPolarHBondContact O-CG 3.26Å; I183-M187 PolarHBondContact O-N 2.68Å; L184-M187 PolarHBondContact O-N 3.13Å; E185-M187 VanDerWaalsContact C-N 3.28Å; E185-M187 PolarHBondContact O-N 2.98Å; M187-D189 VanDerWaalsContact C-N 3.32Å; M187-Y190 PolarHBondContact O-N 3.26Å
188	S	83.5	Confident	79.9	Confident	50 Å²	50	79.6 Å²	79.6	35%	0.35	38%	0.382	S	S	.	.	H	α-helix	trans	-69.4	-29.5	178.1	62.4	0	0	0	0	113.2	L184 E185 Y190 E191 Y192	L184-S188 PolarHBondContact O-N 3.27Å; L184-S188 PolarHBondContact O-OG 3.17Å; E185-S188 PolarHBondContact O-N 3.1Å; E185-S188 VanDerWaalsContact O-N 3.08Å; E185-S188 PolarHBondContact O-OG 3.45Å; S188-Y190 VanDerWaalsContact C-N 3.32Å; S188-E191 PolarHBondContact O-N 3.48Å; S188-Y192 WeakPolarHBondContact O-CD2 3.47Å
189	D	77	Confident	79	Confident	111 Å²	111	83.1 Å²	83.1	59%	0.594	40%	0.395	S	S	*	.	H	α-helix	trans	-68.1	-32.6	175.9	-70.1	-21.1	0	0	0	111.6	E185 A186 M187 Y192	E185-D189 PolarHBondContact O-N 2.71Å; E185-D189 VanDerWaalsContact O-N 3.13Å; A186-D189 PolarHBondContact O-N 3.15Å; M187-D189 VanDerWaalsContact C-N 3.32Å; D189-Y192 PolarHBondContact O-N 3.2Å
190	Y	60.8	Low	78	Confident	134 Å²	134	88.7 Å²	88.7	53%	0.525	42%	0.422	S	S	.	.	H	α-helix	trans	-70	-29.6	175.9	-75.6	-75.7	0	0	0	113.7	H111 A186 M187 S188 Y192 D193	H111-Y190 AromaticContact CD2-CE2 3.68Å; A186-Y190 WeakPolarHBondContact O-CD2 3.41Å; A186-Y190 PolarHBondContact O-N 3.08Å; M187-Y190 PolarHBondContact O-N 3.26Å; S188-Y190 VanDerWaalsContact C-N 3.32Å; Y190-Y192 PolarHBondContact O-N 3.41Å; Y190-D193 PolarHBondContact O-N 3.01Å
191	E	59.5	Low	76.8	Confident	139 Å²	139	95 Å²	95	65%	0.65	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.2	178.4	-78	-175.1	176.8	0	0	113.2	S188	S188-E191 PolarHBondContact O-N 3.48Å
192	Y	51.8	Low	75.5	Confident	199 Å²	199	95.4 Å²	95.4	78%	0.78	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-10.7	179	-75.9	-81.5	0	0	0	114.7	S188 D189 Y190	S188-Y192 WeakPolarHBondContact O-CD2 3.47Å; D189-Y192 PolarHBondContact O-N 3.2Å; Y190-Y192 PolarHBondContact O-N 3.41Å
193	D	50.8	Low	73.9	Confident	146 Å²	146	100.7 Å²	100.7	78%	0.781	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-8.3	-177.5	-82.3	-16.9	0	0	0	114	Y190	Y190-D193 PolarHBondContact O-N 3.01Å
194	E	45.8	Very low	72.1	Confident	244 Å²	244	109.8 Å²	109.8	100%	1.14	53%	0.526	S	S	*	.			trans	-91.2	0	170.7	-78.1	-167.2	163.5	0	0	113.4

Retrieved 194 of 194 residues in 202.8 ms (Link to these results)

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