A0A096MT76_PAPAN Loading...

Immunoglobulin binding protein 1

AlphaFold DB (A0A2K5KU79), UniProt , Accession A0A096MT76, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 339 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.1	Very low	62.5	Low	250 Å²	250	154.3 Å²	154.3	100%	1.232	82%	0.816	S	S	*	*				0	54.7	0	-66.4	169.5	72.7	0	0	109.5
2	A	47.6	Very low	65.3	Low	98 Å²	98	142.4 Å²	142.4	81%	0.81	75%	0.754	S	S	*	*			trans	-145.1	31.2	-174.7	0	0	0	0	0	111.1
3	A	49.9	Very low	67.6	Low	96 Å²	96	136.2 Å²	136.2	79%	0.793	73%	0.727	S	S	*	*	S	Bend	trans	-130.8	6.4	179.7	0	0	0	0	0	112.6
4	E	51.6	Low	69.7	Low	188 Å²	188	134.5 Å²	134.5	88%	0.879	71%	0.712	S	S	*	*	S	Bend	trans	-97.7	-5.1	172.7	-85	-179.3	156.2	0	0	112.6
5	D	49.6	Very low	71.5	Confident	156 Å²	156	125.8 Å²	125.8	83%	0.834	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	8.7	-166.5	-150.3	32.3	0	0	0	114.9
6	E	51.6	Low	73.2	Confident	185 Å²	185	118.1 Å²	118.1	86%	0.864	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.7	9.4	-179.5	-79.7	-165	176.6	0	0	115.4	L8	E6-L8 PolarHBondContact O-N 3.2Å
7	L	57.2	Low	74.5	Confident	148 Å²	148	114.5 Å²	114.5	78%	0.775	60%	0.604	S	S	*	*			trans	-89.7	89.4	164.4	-73.2	169.2	0	0	0	107.9	L9	L7-L9 PolarHBondContact O-N 3.06Å
8	L	69.9	Low	75.8	Confident	175 Å²	175	110.3 Å²	110.3	92%	0.916	58%	0.583	S	S	*	*			trans	-55.7	100	170.3	-71.7	171.7	0	0	0	108.7	E6	E6-L8 PolarHBondContact O-N 3.2Å
9	L	80.6	Confident	76.9	Confident	148 Å²	148	104.5 Å²	104.5	78%	0.775	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-62.7	141.2	176.3	-68.5	170.7	0	0	0	109.1	L7 R11	L7-L9 PolarHBondContact O-N 3.06Å; L9-R11 PolarHBondContact O-N 3.35Å
10	P	88.9	Confident	78	Confident	54 Å²	54	100.6 Å²	100.6	35%	0.351	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-58.1	140.6	179.8	-21.3	31.1	0	0	0	111.3	E14 L15	P10-E14 HydrophobicContact CB-CG 4.46Å; P10-L15 HydrophobicContact CB-CD2 3.69Å; P10-L15 HydrophobicContact CB-CG 4.02Å; P10-L15 HydrophobicContact CG-CD2 4.18Å
11	R	95	Very high	78.9	Confident	199 Å²	199	100.7 Å²	100.7	75%	0.751	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-78.1	158.3	179.7	-62.8	-177.4	176.7	-176	-1	110.9	L9 P13 E14 L15	L9-R11 PolarHBondContact O-N 3.35Å; R11-P13 VanDerWaalsContact C-CD 3.49Å; R11-E14 WeakPolarHBondContact O-CA 3.41Å; R11-E14 WeakPolarHBondContact O-CB 3.37Å; R11-E14 PolarHBondContact O-N 2.87Å; R11-L15 PolarHBondContact O-N 3.04Å
12	L	95.8	Very high	81.3	Confident	12 Å²	12	89.5 Å²	89.5	6%	0.063	47%	0.473	C	S	.	.	H	α-helix	trans	-48.8	-46.4	178.7	173.2	65.8	0	0	0	114.3	E14 L15 F16 A52 M55 L56 L59 L61 Y78	L12-E14 VanDerWaalsContact C-N 3.3Å; L12-E14 PolarHBondContact O-N 3.46Å; L12-L15 PolarHBondContact O-N 3.03Å; L12-F16 WeakPolarHBondContact O-CB 3.24Å; L12-F16 PolarHBondContact O-N 3.4Å; L12-A52 HydrophobicContact CD1-CB 3.94Å; L12-M55 HydrophobicContact CB-CE 3.88Å; L12-M55 HydrophobicContact CB-SD 4.13Å; L12-M55 HydrophobicContact CD1-CB 4.3Å; L12-L56 HydrophobicContact CD1-CD1 4.46Å; L12-L56 HydrophobicContact CD1-CD2 4.12Å; L12-L56 HydrophobicContact CD1-CG 3.92Å; L12-L56 HydrophobicContact CD2-CD2 3.65Å; L12-L56 HydrophobicContact CD2-CG 4.29Å; L12-L56 HydrophobicContact CG-CD2 4.5Å; L12-L59 HydrophobicContact CD2-CD1 3.78Å; L12-L61 HydrophobicContact CD2-CD1 4.43Å; L12-Y78 HydrophobicContact CD1-CD1 4.28Å; L12-Y78 HydrophobicContact CD1-CE1 4.15Å; L12-Y78 HydrophobicContact CD2-CD1 4.46Å; L12-Y78 HydrophobicContact CD2-CD2 4.34Å; L12-Y78 HydrophobicContact CD2-CE1 4.13Å; L12-Y78 HydrophobicContact CD2-CE2 4Å; L12-Y78 HydrophobicContact CG-CD1 4.28Å; L12-Y78 HydrophobicContact CG-CE1 3.76Å; L12-Y78 HydrophobicContact CG-CE2 4.48Å
13	P	95.6	Very high	83.7	Confident	62 Å²	62	84.9 Å²	84.9	40%	0.403	44%	0.435	S	S	.	.	H	α-helix	trans	-61.2	-39.6	177.4	-21.1	31.9	0	0	0	112.5	R11 F16 E17 Y78	R11-P13 VanDerWaalsContact C-CD 3.49Å; P13-F16 PolarHBondContact O-N 3.22Å; P13-E17 WeakPolarHBondContact O-CB 3.25Å; P13-E17 VanDerWaalsContact O-CG 3.3Å; P13-E17 WeakPolarHBondContact O-CG 3.46Å; P13-E17 PolarHBondContact O-N 2.99Å; P13-Y78 WeakPolarHBondContact CG-OH 3.24Å
14	E	96.3	Very high	85.9	Confident	112 Å²	112	83.1 Å²	83.1	52%	0.523	41%	0.412	S	S	.	.	H	α-helix	trans	-69.2	-42.4	-179.4	-174.3	-178.4	-177.6	0	0	111.8	P10 R11 L12 F16 T18	P10-E14 HydrophobicContact CB-CG 4.46Å; R11-E14 WeakPolarHBondContact O-CA 3.41Å; R11-E14 WeakPolarHBondContact O-CB 3.37Å; R11-E14 PolarHBondContact O-N 2.87Å; L12-E14 VanDerWaalsContact C-N 3.3Å; L12-E14 PolarHBondContact O-N 3.46Å; E14-F16 VanDerWaalsContact C-N 3.34Å; E14-T18 VanDerWaalsContact O-CB 3.22Å; E14-T18 WeakPolarHBondContact O-CB 3.29Å; E14-T18 PolarHBondContact O-N 3.06Å; E14-T18 PolarHBondContact O-OG1 3.09Å
15	L	97.6	Very high	88.1	Confident	4 Å²	4	78 Å²	78	2%	0.021	39%	0.389	C	S	.	.	H	α-helix	trans	-58.6	-47.6	174	-68	175.7	0	0	0	110.9	P10 R11 L12 G19 L48 K51 A52 M55	P10-L15 HydrophobicContact CB-CD2 3.69Å; P10-L15 HydrophobicContact CB-CG 4.02Å; P10-L15 HydrophobicContact CG-CD2 4.18Å; R11-L15 PolarHBondContact O-N 3.04Å; L12-L15 PolarHBondContact O-N 3.03Å; L15-G19 PolarHBondContact O-N 3.49Å; L15-L48 HydrophobicContact CD2-CB 4.4Å; L15-L48 HydrophobicContact CD2-CD2 3.49Å; L15-L48 VanDerWaalsContact CD2-CD2 3.49Å; L15-K51 HydrophobicContact CD1-CB 3.84Å; L15-K51 HydrophobicContact CD2-CB 4.36Å; L15-A52 HydrophobicContact CB-CB 4.04Å; L15-M55 HydrophobicContact CD1-SD 3.53Å; L15-M55 VanDerWaalsContact CD1-SD 3.53Å
16	F	97.5	Very high	90.4	Very high	3 Å²	3	71.2 Å²	71.2	1%	0.013	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-52.8	179.9	178.1	-93.5	0	0	0	112.1	L12 P13 E14 T18 G19 K20 K77 Y78 L80 V81 F84	L12-F16 WeakPolarHBondContact O-CB 3.24Å; L12-F16 PolarHBondContact O-N 3.4Å; P13-F16 PolarHBondContact O-N 3.22Å; E14-F16 VanDerWaalsContact C-N 3.34Å; F16-T18 VanDerWaalsContact C-N 3.34Å; F16-T18 PolarHBondContact O-N 3.44Å; F16-G19 PolarHBondContact O-N 3.17Å; F16-K20 HydrophobicContact CE1-CD 4.39Å; F16-K20 WeakPolarHBondContact O-CB 3.07Å; F16-K20 PolarHBondContact O-N 3.14Å; F16-K77 HydrophobicContact CD1-CD 4.03Å; F16-K77 HydrophobicContact CD1-CG 4.17Å; F16-K77 HydrophobicContact CE1-CB 3.87Å; F16-K77 HydrophobicContact CE1-CD 3.74Å; F16-K77 HydrophobicContact CE1-CG 3.74Å; F16-K77 WeakPolarHBondContact CE2-O 3.32Å; F16-K77 HydrophobicContact CZ-CB 3.75Å; F16-K77 HydrophobicContact CZ-CD 4.43Å; F16-K77 HydrophobicContact CZ-CG 3.93Å; F16-K77 WeakPolarHBondContact CZ-O 3.41Å; F16-Y78 HydrophobicContact CB-CD1 4.08Å; F16-Y78 HydrophobicContact CB-CE1 3.77Å; F16-Y78 HydrophobicContact CD1-CE1 4.43Å; F16-Y78 AromaticContact CD2-CD1 3.81Å; F16-Y78 HydrophobicContact CD2-CD1 3.81Å; F16-Y78 HydrophobicContact CD2-CE1 4.31Å; F16-Y78 HydrophobicContact CE2-CD1 4.41Å; F16-Y78 AromaticContact CG-CD1 3.9Å; F16-Y78 HydrophobicContact CG-CD1 3.9Å; F16-Y78 AromaticContact CG-CE1 3.92Å; F16-Y78 HydrophobicContact CG-CE1 3.92Å; F16-L80 HydrophobicContact CE2-CB 4.44Å; F16-V81 HydrophobicContact CD2-CG2 3.64Å; F16-V81 HydrophobicContact CE2-CG2 3.93Å; F16-F84 HydrophobicContact CE1-CE2 4.5Å; F16-F84 HydrophobicContact CE2-CD2 4.07Å; F16-F84 AromaticContact CE2-CE2 3.65Å; F16-F84 HydrophobicContact CE2-CE2 3.65Å; F16-F84 HydrophobicContact CZ-CD2 4.45Å; F16-F84 AromaticContact CZ-CE2 3.59Å; F16-F84 HydrophobicContact CZ-CE2 3.59Å; F16-F84 HydrophobicContact CZ-CZ 4.39Å
17	E	96.1	Very high	92.5	Very high	57 Å²	57	66.5 Å²	66.5	27%	0.266	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-40.3	-177.1	-66.8	-54.1	152.7	0	0	111.4	P13 K20 Q21 K77	P13-E17 WeakPolarHBondContact O-CB 3.25Å; P13-E17 VanDerWaalsContact O-CG 3.3Å; P13-E17 WeakPolarHBondContact O-CG 3.46Å; P13-E17 PolarHBondContact O-N 2.99Å; E17-K20 PolarHBondContact O-N 3.1Å; E17-Q21 WeakPolarHBondContact O-CB 3.27Å; E17-Q21 WeakPolarHBondContact O-CG 3.24Å; E17-Q21 PolarHBondContact O-N 2.73Å; E17-K77 IonicContact OE1-NZ 2.8Å; E17-K77 PolarHBondContact OE1-NZ 3.4Å
18	T	97.6	Very high	94.3	Very high	38 Å²	38	64.9 Å²	64.9	23%	0.233	33%	0.327	C	S	.	.	H	α-helix	trans	-67.6	-41	177.4	-52.5	0	0	0	0	111.2	E14 F16 Q21 L22 L48	E14-T18 VanDerWaalsContact O-CB 3.22Å; E14-T18 WeakPolarHBondContact O-CB 3.29Å; E14-T18 PolarHBondContact O-N 3.06Å; E14-T18 PolarHBondContact O-OG1 3.09Å; F16-T18 VanDerWaalsContact C-N 3.34Å; F16-T18 PolarHBondContact O-N 3.44Å; T18-Q21 PolarHBondContact O-N 2.92Å; T18-L22 HydrophobicContact CG2-CD1 4.33Å; T18-L22 VanDerWaalsContact O-CG 3.3Å; T18-L22 WeakPolarHBondContact O-CG 3.28Å; T18-L22 PolarHBondContact O-N 3.18Å; T18-L48 HydrophobicContact CG2-CD1 3.48Å; T18-L48 VanDerWaalsContact CG2-CD1 3.48Å
19	G	97.9	Very high	95.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-43.7	175.1	0	0	0	0	0	112.4	L15 F16 L22 L23	L15-G19 PolarHBondContact O-N 3.49Å; F16-G19 PolarHBondContact O-N 3.17Å; G19-L22 PolarHBondContact O-N 3.04Å; G19-L23 PolarHBondContact O-N 3.29Å; G19-L23 VanDerWaalsContact O-N 3.08Å
20	K	97	Very high	96.2	Very high	27 Å²	27	57.7 Å²	57.7	12%	0.117	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-47.5	174.5	178.5	-176.3	169.8	-66.1	0	111.8	F16 E17 L22 L23 D24 F84	F16-K20 HydrophobicContact CE1-CD 4.39Å; F16-K20 WeakPolarHBondContact O-CB 3.07Å; F16-K20 PolarHBondContact O-N 3.14Å; E17-K20 PolarHBondContact O-N 3.1Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 3.06Å; K20-L23 WeakPolarHBondContact O-CB 3.19Å; K20-L23 PolarHBondContact O-N 3.24Å; K20-D24 IonicContact NZ-OD2 2.71Å; K20-D24 PolarHBondContact NZ-OD2 3.3Å; K20-D24 PolarHBondContact O-N 3.14Å; K20-F84 HydrophobicContact CB-CE2 3.97Å; K20-F84 HydrophobicContact CD-CE2 4.36Å; K20-F84 HydrophobicContact CD-CZ 4.31Å; K20-F84 HydrophobicContact CG-CE2 4.06Å; K20-F84 HydrophobicContact CG-CZ 4.11Å
21	Q	97.3	Very high	96.5	Very high	102 Å²	102	59 Å²	59	48%	0.477	30%	0.301	S	S	.	.	H	α-helix	trans	-59.5	-42.8	178	-75.2	169.9	7.2	0	0	111.8	E17 T18 L23 D24 E25	E17-Q21 WeakPolarHBondContact O-CB 3.27Å; E17-Q21 WeakPolarHBondContact O-CG 3.24Å; E17-Q21 PolarHBondContact O-N 2.73Å; T18-Q21 PolarHBondContact O-N 2.92Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.49Å; Q21-D24 PolarHBondContact O-N 3.22Å; Q21-E25 WeakPolarHBondContact O-CB 3.42Å; Q21-E25 VanDerWaalsContact O-CG 3.29Å; Q21-E25 WeakPolarHBondContact O-CG 3.29Å; Q21-E25 PolarHBondContact O-N 2.85Å
22	L	98.1	Very high	96.5	Very high	15 Å²	15	54.2 Å²	54.2	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-64.4	-37	176.8	-71.1	171.8	0	0	0	112.3	T18 G19 K20 V26 K41 K44 L48	T18-L22 HydrophobicContact CG2-CD1 4.33Å; T18-L22 VanDerWaalsContact O-CG 3.3Å; T18-L22 WeakPolarHBondContact O-CG 3.28Å; T18-L22 PolarHBondContact O-N 3.18Å; G19-L22 PolarHBondContact O-N 3.04Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 3.06Å; L22-V26 WeakPolarHBondContact O-CB 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.48Å; L22-V26 PolarHBondContact O-N 3.32Å; L22-K41 HydrophobicContact CD2-CB 4.05Å; L22-K41 HydrophobicContact CD2-CD 4.4Å; L22-K41 HydrophobicContact CD2-CG 4Å; L22-K44 HydrophobicContact CD1-CB 4.02Å; L22-K44 HydrophobicContact CD1-CD 3.96Å; L22-K44 HydrophobicContact CD1-CG 3.8Å; L22-L48 HydrophobicContact CD1-CD1 3.9Å
23	L	97.8	Very high	96.4	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-63.7	-50.5	172	173.5	61.6	0	0	0	111.2	G19 K20 Q21 E25 V26 E27 F84 A87 L88 W200	G19-L23 PolarHBondContact O-N 3.29Å; G19-L23 VanDerWaalsContact O-N 3.08Å; K20-L23 WeakPolarHBondContact O-CB 3.19Å; K20-L23 PolarHBondContact O-N 3.24Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.49Å; L23-E25 VanDerWaalsContact C-N 3.27Å; L23-E25 PolarHBondContact O-N 2.87Å; L23-V26 PolarHBondContact O-N 2.9Å; L23-V26 VanDerWaalsContact O-N 3.09Å; L23-E27 HydrophobicContact CD1-CG 4.08Å; L23-E27 PolarHBondContact O-N 2.87Å; L23-F84 HydrophobicContact CD2-CB 4.04Å; L23-F84 HydrophobicContact CD2-CD1 3.52Å; L23-F84 HydrophobicContact CD2-CE1 4.17Å; L23-F84 HydrophobicContact CD2-CG 3.93Å; L23-A87 HydrophobicContact CD1-CB 3.94Å; L23-A87 HydrophobicContact CD2-CB 4.14Å; L23-L88 HydrophobicContact CB-CD2 4.02Å; L23-L88 HydrophobicContact CB-CG 4.16Å; L23-L88 HydrophobicContact CD1-CD2 3.76Å; L23-L88 HydrophobicContact CD1-CG 3.97Å; L23-L88 HydrophobicContact CG-CD2 4.49Å; L23-W200 HydrophobicContact CD2-CH2 4Å; L23-W200 HydrophobicContact CD2-CZ2 4.11Å
24	D	96.4	Very high	96.4	Very high	59 Å²	59	56.2 Å²	56.2	32%	0.316	32%	0.324	S	S	.	.	H	α-helix	trans	-55.4	-44.4	178.3	-69.7	-19.6	0	0	0	110.4	K20 Q21 E27 V28	K20-D24 IonicContact NZ-OD2 2.71Å; K20-D24 PolarHBondContact NZ-OD2 3.3Å; K20-D24 PolarHBondContact O-N 3.14Å; Q21-D24 PolarHBondContact O-N 3.22Å; D24-E27 PolarHBondContact O-N 2.77Å; D24-V28 WeakPolarHBondContact O-CG2 3.23Å; D24-V28 PolarHBondContact O-N 3.44Å
25	E	97.3	Very high	96.4	Very high	81 Å²	81	52 Å²	52	38%	0.379	31%	0.307	S	S	.	.	H	α-helix	trans	-64.9	-38.6	176.5	-75.1	178.4	-162.4	0	0	113.5	Q21 L23 A29 K41	Q21-E25 WeakPolarHBondContact O-CB 3.42Å; Q21-E25 VanDerWaalsContact O-CG 3.29Å; Q21-E25 WeakPolarHBondContact O-CG 3.29Å; Q21-E25 PolarHBondContact O-N 2.85Å; L23-E25 VanDerWaalsContact C-N 3.27Å; L23-E25 PolarHBondContact O-N 2.87Å; E25-A29 WeakPolarHBondContact O-CB 3.5Å; E25-A29 PolarHBondContact O-N 3.47Å; E25-A29 VanDerWaalsContact O-N 3.12Å; E25-K41 HydrophobicContact CB-CD 4.41Å; E25-K41 WeakPolarHBondContact OE2-CD 3.48Å; E25-K41 VanDerWaalsContact OE2-CE 3.24Å; E25-K41 WeakPolarHBondContact OE2-CE 3.37Å; E25-K41 IonicContact OE2-NZ 2.79Å; E25-K41 PolarHBondContact OE2-NZ 3.07Å
26	V	97.3	Very high	96.4	Very high	14 Å²	14	61.1 Å²	61.1	9%	0.085	34%	0.341	C	S	.	.	H	α-helix	trans	-72.3	-33.8	178.9	167.4	0	0	0	0	111.2	L22 L23 V38 K41 V42 K91	L22-V26 WeakPolarHBondContact O-CB 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.48Å; L22-V26 PolarHBondContact O-N 3.32Å; L23-V26 PolarHBondContact O-N 2.9Å; L23-V26 VanDerWaalsContact O-N 3.09Å; V26-V38 HydrophobicContact CG1-CG1 4.03Å; V26-V38 HydrophobicContact CG2-CG1 4.36Å; V26-K41 HydrophobicContact CG2-CB 3.72Å; V26-K41 HydrophobicContact CG2-CD 4.42Å; V26-V42 HydrophobicContact CG1-CG2 3.82Å; V26-V42 HydrophobicContact CG2-CG2 3.91Å; V26-K91 HydrophobicContact CG1-CB 3.99Å; V26-K91 HydrophobicContact CG1-CD 4.3Å; V26-K91 HydrophobicContact CG1-CG 3.75Å
27	E	94.8	Very high	96.4	Very high	85 Å²	85	65.5 Å²	65.5	40%	0.397	36%	0.364	S	S	.	.	H	α-helix	trans	-67.1	-35.5	177.7	-76.5	-170.6	166.4	0	0	113	L23 D24	L23-E27 HydrophobicContact CD1-CG 4.08Å; L23-E27 PolarHBondContact O-N 2.87Å; D24-E27 PolarHBondContact O-N 2.77Å
28	V	95.6	Very high	96.4	Very high	115 Å²	115	63.1 Å²	63.1	70%	0.697	35%	0.353	S	S	*	.	S	Bend	trans	-99.1	3.4	-179.5	-53.7	0	0	0	0	113.8	D24 T30	D24-V28 WeakPolarHBondContact O-CG2 3.23Å; D24-V28 PolarHBondContact O-N 3.44Å; V28-T30 PolarHBondContact O-N 2.99Å
29	A	95.4	Very high	96.5	Very high	32 Å²	32	62.1 Å²	62.1	26%	0.264	35%	0.346	S	S	.	.			trans	-57.9	133.8	-179	0	0	0	0	0	111.2	E25 V38	E25-A29 WeakPolarHBondContact O-CB 3.5Å; E25-A29 PolarHBondContact O-N 3.47Å; E25-A29 VanDerWaalsContact O-N 3.12Å; A29-V38 HydrophobicContact CB-CG2 3.94Å
30	T	94.6	Very high	96.5	Very high	139 Å²	139	66.8 Å²	66.8	85%	0.853	37%	0.368	S	S	*	.			trans	-92	-17.3	178.9	59.5	0	0	0	0	111.8	V28	V28-T30 PolarHBondContact O-N 2.99Å
31	E	95.1	Very high	96.5	Very high	82 Å²	82	68.4 Å²	68.4	38%	0.383	38%	0.375	S	S	.	.	S	Bend	trans	-70.8	156.7	175.8	-56.5	94.8	141.6	0	0	111.5	A33 V38	E31-A33 PolarHBondContact O-N 2.92Å; E31-V38 HydrophobicContact CB-CG2 4.09Å
32	P	96	Very high	96.6	Very high	99 Å²	99	63.5 Å²	63.5	64%	0.643	35%	0.352	S	S	*	.			trans	-55.8	136	175.8	-24.4	33.9	0	0	0	111.5	G34 S35	P32-G34 PolarHBondContact O-N 3.17Å; P32-G34 VanDerWaalsContact O-N 3.12Å; P32-S35 WeakPolarHBondContact O-CB 3.42Å; P32-S35 PolarHBondContact O-N 3.41Å; P32-S35 PolarHBondContact O-OG 3.23Å
33	A	94.3	Very high	96.6	Very high	65 Å²	65	68.3 Å²	68.3	54%	0.537	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.1	-177.6	0	0	0	0	0	113.4	E31 S35 Q39 V93	E31-A33 PolarHBondContact O-N 2.92Å; A33-S35 VanDerWaalsContact C-N 3.29Å; A33-S35 PolarHBondContact O-N 3.35Å; A33-Q39 PolarHBondContact O-NE2 3.17Å; A33-V93 HydrophobicContact CB-CG2 4.37Å
34	G	95	Very high	96.6	Very high	50 Å²	50	73.8 Å²	73.8	52%	0.515	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	5.3	175.9	0	0	0	0	0	115	P32	P32-G34 PolarHBondContact O-N 3.17Å; P32-G34 VanDerWaalsContact O-N 3.12Å
35	S	96.9	Very high	96.7	Very high	25 Å²	25	71 Å²	71	18%	0.175	38%	0.381	C	S	.	.	S	Bend	trans	-67.5	150.9	177.6	69.9	0	0	0	0	111	P32 A33 I37 V38 Q39	P32-S35 WeakPolarHBondContact O-CB 3.42Å; P32-S35 PolarHBondContact O-N 3.41Å; P32-S35 PolarHBondContact O-OG 3.23Å; A33-S35 VanDerWaalsContact C-N 3.29Å; A33-S35 PolarHBondContact O-N 3.35Å; S35-I37 VanDerWaalsContact C-N 3.26Å; S35-I37 PolarHBondContact O-N 3.32Å; S35-V38 PolarHBondContact O-N 2.98Å; S35-V38 VanDerWaalsContact OG-CG2 3.31Å; S35-V38 WeakPolarHBondContact OG-CG2 3.47Å; S35-V38 PolarHBondContact OG-N 3.34Å; S35-Q39 WeakPolarHBondContact O-CB 3.42Å; S35-Q39 WeakPolarHBondContact O-CG 3.41Å; S35-Q39 PolarHBondContact O-N 2.94Å
36	R	97.1	Very high	96.8	Very high	194 Å²	194	68.2 Å²	68.2	73%	0.732	37%	0.369	S	S	*	.	H	α-helix	trans	-57.5	-40.9	179.7	-177.4	176.4	173.8	-170.1	-6.5	112.2	Q39 E40	R36-Q39 PolarHBondContact O-N 3.37Å; R36-E40 HydrophobicContact CG-CG 4.21Å; R36-E40 IonicContact CZ-OE1 2.94Å; R36-E40 VanDerWaalsContact CZ-OE1 3.26Å; R36-E40 IonicContact NE-OE1 3.52Å; R36-E40 PolarHBondContact NE-OE1 2.92Å; R36-E40 IonicContact NH2-OE1 2.7Å; R36-E40 PolarHBondContact NH2-OE1 3.05Å; R36-E40 WeakPolarHBondContact O-CB 3.35Å; R36-E40 VanDerWaalsContact O-CG 3.29Å; R36-E40 WeakPolarHBondContact O-CG 3.3Å; R36-E40 PolarHBondContact O-N 3.44Å
37	I	96.5	Very high	96.8	Very high	96 Å²	96	70.8 Å²	70.8	49%	0.492	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-48.4	-178.6	-58.8	166.8	0	0	0	110.3	S35 K41	S35-I37 VanDerWaalsContact C-N 3.26Å; S35-I37 PolarHBondContact O-N 3.32Å; I37-K41 WeakPolarHBondContact O-CG 3.45Å; I37-K41 PolarHBondContact O-N 3.42Å
38	V	97.6	Very high	97	Very high	6 Å²	6	67.5 Å²	67.5	4%	0.036	37%	0.367	C	S	.	.	H	α-helix	trans	-67.1	-45.7	179.1	175.9	0	0	0	0	110.7	V26 A29 E31 S35 E40 K41 V42	V26-V38 HydrophobicContact CG1-CG1 4.03Å; V26-V38 HydrophobicContact CG2-CG1 4.36Å; A29-V38 HydrophobicContact CB-CG2 3.94Å; E31-V38 HydrophobicContact CB-CG2 4.09Å; S35-V38 PolarHBondContact O-N 2.98Å; S35-V38 VanDerWaalsContact OG-CG2 3.31Å; S35-V38 WeakPolarHBondContact OG-CG2 3.47Å; S35-V38 PolarHBondContact OG-N 3.34Å; V38-E40 PolarHBondContact O-N 2.85Å; V38-K41 WeakPolarHBondContact O-CB 3.47Å; V38-K41 PolarHBondContact O-N 3.29Å; V38-V42 HydrophobicContact CG1-CG2 4.48Å; V38-V42 WeakPolarHBondContact O-CG2 3.3Å; V38-V42 PolarHBondContact O-N 3.3Å
39	Q	98	Very high	97.1	Very high	18 Å²	18	62 Å²	62	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-35.7	-178.8	-67.4	-61.5	-67.1	0	0	112.6	A33 S35 R36 K41 V42 F43 K91	A33-Q39 PolarHBondContact O-NE2 3.17Å; S35-Q39 WeakPolarHBondContact O-CB 3.42Å; S35-Q39 WeakPolarHBondContact O-CG 3.41Å; S35-Q39 PolarHBondContact O-N 2.94Å; R36-Q39 PolarHBondContact O-N 3.37Å; Q39-K41 VanDerWaalsContact C-N 3.33Å; Q39-K41 PolarHBondContact O-N 2.86Å; Q39-V42 PolarHBondContact O-N 3.44Å; Q39-F43 HydrophobicContact CB-CD2 4.45Å; Q39-F43 HydrophobicContact CB-CE2 4.19Å; Q39-F43 WeakPolarHBondContact O-CD2 3.5Å; Q39-F43 PolarHBondContact O-N 3.49Å; Q39-K91 PolarHBondContact NE2-O 2.88Å
40	E	98	Very high	97.2	Very high	98 Å²	98	66.6 Å²	66.6	46%	0.458	35%	0.35	S	S	.	.	H	α-helix	trans	-61.5	-40.4	173	-78.7	177.9	175.8	0	0	111.8	R36 V38 K44	R36-E40 HydrophobicContact CG-CG 4.21Å; R36-E40 IonicContact CZ-OE1 2.94Å; R36-E40 VanDerWaalsContact CZ-OE1 3.26Å; R36-E40 IonicContact NE-OE1 3.52Å; R36-E40 PolarHBondContact NE-OE1 2.92Å; R36-E40 IonicContact NH2-OE1 2.7Å; R36-E40 PolarHBondContact NH2-OE1 3.05Å; R36-E40 WeakPolarHBondContact O-CB 3.35Å; R36-E40 VanDerWaalsContact O-CG 3.29Å; R36-E40 WeakPolarHBondContact O-CG 3.3Å; R36-E40 PolarHBondContact O-N 3.44Å; V38-E40 PolarHBondContact O-N 2.85Å; E40-K44 WeakPolarHBondContact O-CB 3.37Å; E40-K44 PolarHBondContact O-N 2.92Å
41	K	98.2	Very high	97.4	Very high	60 Å²	60	64.3 Å²	64.3	26%	0.261	33%	0.328	S	S	.	.	H	α-helix	trans	-63.9	-42.8	173	-68.3	-176.8	-175.9	-168.2	0	112.1	L22 E25 V26 I37 V38 Q39 K44 G45	L22-K41 HydrophobicContact CD2-CB 4.05Å; L22-K41 HydrophobicContact CD2-CD 4.4Å; L22-K41 HydrophobicContact CD2-CG 4Å; E25-K41 HydrophobicContact CB-CD 4.41Å; E25-K41 WeakPolarHBondContact OE2-CD 3.48Å; E25-K41 VanDerWaalsContact OE2-CE 3.24Å; E25-K41 WeakPolarHBondContact OE2-CE 3.37Å; E25-K41 IonicContact OE2-NZ 2.79Å; E25-K41 PolarHBondContact OE2-NZ 3.07Å; V26-K41 HydrophobicContact CG2-CB 3.72Å; V26-K41 HydrophobicContact CG2-CD 4.42Å; I37-K41 WeakPolarHBondContact O-CG 3.45Å; I37-K41 PolarHBondContact O-N 3.42Å; V38-K41 WeakPolarHBondContact O-CB 3.47Å; V38-K41 PolarHBondContact O-N 3.29Å; Q39-K41 VanDerWaalsContact C-N 3.33Å; Q39-K41 PolarHBondContact O-N 2.86Å; K41-K44 PolarHBondContact O-N 3.45Å; K41-G45 PolarHBondContact O-N 3.41Å
42	V	98.3	Very high	97.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-49.8	176.5	172.1	0	0	0	0	111.1	V26 V38 Q39 K44 G45 L46 L88 K91 Q92	V26-V42 HydrophobicContact CG1-CG2 3.82Å; V26-V42 HydrophobicContact CG2-CG2 3.91Å; V38-V42 HydrophobicContact CG1-CG2 4.48Å; V38-V42 WeakPolarHBondContact O-CG2 3.3Å; V38-V42 PolarHBondContact O-N 3.3Å; Q39-V42 PolarHBondContact O-N 3.44Å; V42-K44 PolarHBondContact O-N 3.19Å; V42-G45 PolarHBondContact O-N 2.98Å; V42-L46 HydrophobicContact CG1-CD1 4.05Å; V42-L46 WeakPolarHBondContact O-CG 3.28Å; V42-L46 PolarHBondContact O-N 3.28Å; V42-L88 WeakPolarHBondContact CG1-O 3.39Å; V42-L88 HydrophobicContact CG2-CD2 4.48Å; V42-K91 HydrophobicContact CG1-CB 4.39Å; V42-K91 HydrophobicContact CG2-CB 3.71Å; V42-Q92 HydrophobicContact CG1-CG 3.65Å
43	F	98.3	Very high	97.5	Very high	115 Å²	115	57.1 Å²	57.1	50%	0.504	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-43.5	179.1	-73	-59.9	0	0	0	112.1	Q39 L46 D47	Q39-F43 HydrophobicContact CB-CD2 4.45Å; Q39-F43 HydrophobicContact CB-CE2 4.19Å; Q39-F43 WeakPolarHBondContact O-CD2 3.5Å; Q39-F43 PolarHBondContact O-N 3.49Å; F43-L46 PolarHBondContact O-N 2.91Å; F43-D47 PolarHBondContact O-N 3.11Å
44	K	98.3	Very high	97.7	Very high	117 Å²	117	59.7 Å²	59.7	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-42.9	176.8	-174.6	179.8	177.9	-174	0	111.8	L22 E40 K41 V42 D47 L48	L22-K44 HydrophobicContact CD1-CB 4.02Å; L22-K44 HydrophobicContact CD1-CD 3.96Å; L22-K44 HydrophobicContact CD1-CG 3.8Å; E40-K44 WeakPolarHBondContact O-CB 3.37Å; E40-K44 PolarHBondContact O-N 2.92Å; K41-K44 PolarHBondContact O-N 3.45Å; V42-K44 PolarHBondContact O-N 3.19Å; K44-D47 PolarHBondContact O-N 3.45Å; K44-L48 HydrophobicContact CG-CD1 4.08Å; K44-L48 VanDerWaalsContact O-CG 3.26Å; K44-L48 WeakPolarHBondContact O-CG 3.34Å; K44-L48 PolarHBondContact O-N 3.42Å
45	G	98.3	Very high	97.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-41.8	178	0	0	0	0	0	112.3	K41 V42 L48 L49	K41-G45 PolarHBondContact O-N 3.41Å; V42-G45 PolarHBondContact O-N 2.98Å; G45-L48 PolarHBondContact O-N 3.39Å; G45-L49 WeakPolarHBondContact O-CB 3.37Å; G45-L49 VanDerWaalsContact O-CG 3.29Å; G45-L49 WeakPolarHBondContact O-CG 3.49Å; G45-L49 PolarHBondContact O-N 3.36Å
46	L	98.4	Very high	97.7	Very high	23 Å²	23	59.7 Å²	59.7	12%	0.12	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-46.4	175.5	-73.7	169.5	0	0	0	112.2	V42 F43 L48 L49 E50 L88 Q92	V42-L46 HydrophobicContact CG1-CD1 4.05Å; V42-L46 WeakPolarHBondContact O-CG 3.28Å; V42-L46 PolarHBondContact O-N 3.28Å; F43-L46 PolarHBondContact O-N 2.91Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L46-L48 PolarHBondContact O-N 3.34Å; L46-L49 PolarHBondContact O-N 2.94Å; L46-E50 VanDerWaalsContact O-CB 3.3Å; L46-E50 WeakPolarHBondContact O-CB 3.14Å; L46-E50 PolarHBondContact O-N 2.98Å; L46-L88 HydrophobicContact CD2-CB 3.65Å; L46-L88 HydrophobicContact CG-CB 3.88Å; L46-L88 HydrophobicContact CG-CD1 4.41Å; L46-Q92 HydrophobicContact CD1-CG 4.01Å
47	D	98.3	Very high	97.5	Very high	67 Å²	67	55 Å²	55	36%	0.358	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-42.2	177	171.2	81.3	0	0	0	112.2	F43 K44 K51	F43-D47 PolarHBondContact O-N 3.11Å; K44-D47 PolarHBondContact O-N 3.45Å; D47-K51 VanDerWaalsContact CG-NZ 3.26Å; D47-K51 WeakPolarHBondContact O-CG 3.25Å; D47-K51 PolarHBondContact O-N 2.81Å; D47-K51 VanDerWaalsContact O-N 3.12Å; D47-K51 WeakPolarHBondContact OD1-CE 3.48Å; D47-K51 IonicContact OD1-NZ 2.88Å; D47-K51 PolarHBondContact OD1-NZ 3.47Å; D47-K51 VanDerWaalsContact OD1-NZ 3.08Å; D47-K51 IonicContact OD2-NZ 3.26Å; D47-K51 PolarHBondContact OD2-NZ 3.21Å
48	L	98.3	Very high	97.5	Very high	16 Å²	16	57 Å²	57	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-67.9	-42.2	178.3	-67	169.4	0	0	0	112.3	L15 T18 L22 K44 G45 L46 K51 A52	L15-L48 HydrophobicContact CD2-CB 4.4Å; L15-L48 HydrophobicContact CD2-CD2 3.49Å; L15-L48 VanDerWaalsContact CD2-CD2 3.49Å; T18-L48 HydrophobicContact CG2-CD1 3.48Å; T18-L48 VanDerWaalsContact CG2-CD1 3.48Å; L22-L48 HydrophobicContact CD1-CD1 3.9Å; K44-L48 HydrophobicContact CG-CD1 4.08Å; K44-L48 VanDerWaalsContact O-CG 3.26Å; K44-L48 WeakPolarHBondContact O-CG 3.34Å; K44-L48 PolarHBondContact O-N 3.42Å; G45-L48 PolarHBondContact O-N 3.39Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L46-L48 PolarHBondContact O-N 3.34Å; L48-K51 PolarHBondContact O-N 2.95Å; L48-A52 WeakPolarHBondContact O-CB 3.23Å; L48-A52 PolarHBondContact O-N 3.36Å
49	L	98.3	Very high	97.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-73	-30.2	178.6	-67.8	177.3	0	0	0	112.6	G45 L46 A52 A53 F84 Q85 L88	G45-L49 WeakPolarHBondContact O-CB 3.37Å; G45-L49 VanDerWaalsContact O-CG 3.29Å; G45-L49 WeakPolarHBondContact O-CG 3.49Å; G45-L49 PolarHBondContact O-N 3.36Å; L46-L49 PolarHBondContact O-N 2.94Å; L49-A52 PolarHBondContact O-N 2.98Å; L49-A53 WeakPolarHBondContact O-CB 3.5Å; L49-A53 PolarHBondContact O-N 3.19Å; L49-F84 HydrophobicContact CD1-CB 3.51Å; L49-F84 HydrophobicContact CD2-CD2 4.45Å; L49-Q85 HydrophobicContact CB-CG 3.78Å; L49-Q85 HydrophobicContact CD1-CG 4.26Å; L49-Q85 PolarHBondContact O-NE2 3.03Å; L49-L88 HydrophobicContact CD1-CD1 3.81Å
50	E	97.9	Very high	97	Very high	129 Å²	129	66.3 Å²	66.3	60%	0.603	33%	0.331	S	S	*	.	H	α-helix	trans	-63.2	-47.7	171.2	-175.5	171.7	-161.2	0	0	110.6	L46 A52 A53 E54	L46-E50 VanDerWaalsContact O-CB 3.3Å; L46-E50 WeakPolarHBondContact O-CB 3.14Å; L46-E50 PolarHBondContact O-N 2.98Å; E50-A52 VanDerWaalsContact C-N 3.33Å; E50-A52 PolarHBondContact O-N 2.76Å; E50-A53 PolarHBondContact O-N 3.3Å; E50-E54 PolarHBondContact O-N 3.43Å
51	K	97.8	Very high	96.6	Very high	90 Å²	90	64.1 Å²	64.1	39%	0.391	32%	0.322	S	S	.	.	H	α-helix	trans	-60.9	-41	172.9	-70.7	166.6	-176.8	162.4	0	112.3	L15 D47 L48 E54 M55	L15-K51 HydrophobicContact CD1-CB 3.84Å; L15-K51 HydrophobicContact CD2-CB 4.36Å; D47-K51 VanDerWaalsContact CG-NZ 3.26Å; D47-K51 WeakPolarHBondContact O-CG 3.25Å; D47-K51 PolarHBondContact O-N 2.81Å; D47-K51 VanDerWaalsContact O-N 3.12Å; D47-K51 WeakPolarHBondContact OD1-CE 3.48Å; D47-K51 IonicContact OD1-NZ 2.88Å; D47-K51 PolarHBondContact OD1-NZ 3.47Å; D47-K51 VanDerWaalsContact OD1-NZ 3.08Å; D47-K51 IonicContact OD2-NZ 3.26Å; D47-K51 PolarHBondContact OD2-NZ 3.21Å; L48-K51 PolarHBondContact O-N 2.95Å; K51-E54 PolarHBondContact O-N 3.08Å; K51-M55 WeakPolarHBondContact O-CG 3.5Å; K51-M55 PolarHBondContact O-N 3.35Å
52	A	97.7	Very high	96.2	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-44.4	175.6	0	0	0	0	0	111.4	L12 L15 L48 L49 E50 E54 M55 L56	L12-A52 HydrophobicContact CD1-CB 3.94Å; L15-A52 HydrophobicContact CB-CB 4.04Å; L48-A52 WeakPolarHBondContact O-CB 3.23Å; L48-A52 PolarHBondContact O-N 3.36Å; L49-A52 PolarHBondContact O-N 2.98Å; E50-A52 VanDerWaalsContact C-N 3.33Å; E50-A52 PolarHBondContact O-N 2.76Å; A52-E54 VanDerWaalsContact C-N 3.35Å; A52-E54 PolarHBondContact O-N 3.29Å; A52-M55 PolarHBondContact O-N 2.68Å; A52-L56 WeakPolarHBondContact O-CB 3.34Å; A52-L56 VanDerWaalsContact O-CG 3.23Å; A52-L56 WeakPolarHBondContact O-CG 3.41Å; A52-L56 PolarHBondContact O-N 2.84Å
53	A	97	Very high	95.8	Very high	31 Å²	31	64.7 Å²	64.7	26%	0.256	33%	0.33	S	S	.	.	H	α-helix	trans	-62.6	-40.3	176.9	0	0	0	0	0	112.2	L49 E50 L56 S57 V81	L49-A53 WeakPolarHBondContact O-CB 3.5Å; L49-A53 PolarHBondContact O-N 3.19Å; E50-A53 PolarHBondContact O-N 3.3Å; A53-L56 PolarHBondContact O-N 3Å; A53-S57 PolarHBondContact O-N 2.91Å; A53-V81 HydrophobicContact CB-CG1 3.95Å
54	E	96.7	Very high	95.1	Very high	118 Å²	118	67.7 Å²	67.7	55%	0.551	34%	0.338	S	S	*	.	H	α-helix	trans	-62.3	-46.9	174.9	-172.6	179.9	179.8	0	0	111.4	E50 K51 A52 L56 S57 Q58	E50-E54 PolarHBondContact O-N 3.43Å; K51-E54 PolarHBondContact O-N 3.08Å; A52-E54 VanDerWaalsContact C-N 3.35Å; A52-E54 PolarHBondContact O-N 3.29Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 2.92Å; E54-S57 WeakPolarHBondContact O-CB 3.5Å; E54-S57 PolarHBondContact O-N 3.37Å; E54-Q58 WeakPolarHBondContact O-CG 3.22Å; E54-Q58 PolarHBondContact O-N 3.41Å
55	M	96.5	Very high	94.4	Very high	59 Å²	59	69.4 Å²	69.4	29%	0.291	35%	0.352	S	S	.	.	H	α-helix	trans	-60.9	-41.5	175.7	-70.7	-176.5	75.9	0	0	112.2	L12 L15 K51 A52 S57 Q58 L59	L12-M55 HydrophobicContact CB-CE 3.88Å; L12-M55 HydrophobicContact CB-SD 4.13Å; L12-M55 HydrophobicContact CD1-CB 4.3Å; L15-M55 HydrophobicContact CD1-SD 3.53Å; L15-M55 VanDerWaalsContact CD1-SD 3.53Å; K51-M55 WeakPolarHBondContact O-CG 3.5Å; K51-M55 PolarHBondContact O-N 3.35Å; A52-M55 PolarHBondContact O-N 2.68Å; M55-S57 VanDerWaalsContact C-N 3.32Å; M55-S57 PolarHBondContact O-N 2.94Å; M55-Q58 PolarHBondContact O-N 3.08Å; M55-L59 WeakPolarHBondContact O-CB 3.23Å; M55-L59 VanDerWaalsContact O-CG 3.29Å; M55-L59 WeakPolarHBondContact O-CG 3.41Å; M55-L59 PolarHBondContact O-N 3.15Å
56	L	95.8	Very high	93.8	Very high	16 Å²	16	72.6 Å²	72.6	8%	0.084	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-39.8	176.4	-71.7	168.1	0	0	0	111.9	L12 A52 A53 E54 Q58 L59 D60 L61 F62 Y78 V81	L12-L56 HydrophobicContact CD1-CD1 4.46Å; L12-L56 HydrophobicContact CD1-CD2 4.12Å; L12-L56 HydrophobicContact CD1-CG 3.92Å; L12-L56 HydrophobicContact CD2-CD2 3.65Å; L12-L56 HydrophobicContact CD2-CG 4.29Å; L12-L56 HydrophobicContact CG-CD2 4.5Å; A52-L56 WeakPolarHBondContact O-CB 3.34Å; A52-L56 VanDerWaalsContact O-CG 3.23Å; A52-L56 WeakPolarHBondContact O-CG 3.41Å; A52-L56 PolarHBondContact O-N 2.84Å; A53-L56 PolarHBondContact O-N 3Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 2.92Å; L56-Q58 VanDerWaalsContact C-N 3.3Å; L56-Q58 PolarHBondContact O-N 3.44Å; L56-L59 PolarHBondContact O-N 3.06Å; L56-D60 PolarHBondContact O-N 3.47Å; L56-L61 HydrophobicContact CD2-CD1 3.64Å; L56-L61 HydrophobicContact CD2-CG 4.44Å; L56-F62 HydrophobicContact CD2-CE2 4.31Å; L56-Y78 HydrophobicContact CD1-CG 4.43Å; L56-Y78 HydrophobicContact CD2-CD1 4.41Å; L56-Y78 HydrophobicContact CD2-CD2 4.06Å; L56-Y78 HydrophobicContact CD2-CG 3.79Å; L56-V81 HydrophobicContact CD1-CB 4.2Å; L56-V81 HydrophobicContact CD1-CG2 3.79Å
57	S	94.1	Very high	93.3	Very high	95 Å²	95	75.6 Å²	75.6	66%	0.664	38%	0.383	S	S	*	.	H	α-helix	trans	-66.2	-31.8	174.9	-175.7	0	0	0	0	112.7	A53 E54 M55	A53-S57 PolarHBondContact O-N 2.91Å; E54-S57 WeakPolarHBondContact O-CB 3.5Å; E54-S57 PolarHBondContact O-N 3.37Å; M55-S57 VanDerWaalsContact C-N 3.32Å; M55-S57 PolarHBondContact O-N 2.94Å
58	Q	95.1	Very high	92.9	Very high	139 Å²	139	73 Å²	73	65%	0.65	37%	0.369	S	S	*	.	H	α-helix	trans	-77.1	-34.8	176.8	-69.9	174.9	11.9	0	0	112.5	E54 M55 L56 D60	E54-Q58 WeakPolarHBondContact O-CG 3.22Å; E54-Q58 PolarHBondContact O-N 3.41Å; M55-Q58 PolarHBondContact O-N 3.08Å; L56-Q58 VanDerWaalsContact C-N 3.3Å; L56-Q58 PolarHBondContact O-N 3.44Å; Q58-D60 VanDerWaalsContact C-N 3.3Å
59	L	94.3	Very high	92.6	Very high	99 Å²	99	79.9 Å²	79.9	52%	0.518	40%	0.401	S	S	.	.	H	α-helix	trans	-76.7	-19.9	176.5	-68.4	173	0	0	0	112.8	L12 M55 L56 L61	L12-L59 HydrophobicContact CD2-CD1 3.78Å; M55-L59 WeakPolarHBondContact O-CB 3.23Å; M55-L59 VanDerWaalsContact O-CG 3.29Å; M55-L59 WeakPolarHBondContact O-CG 3.41Å; M55-L59 PolarHBondContact O-N 3.15Å; L56-L59 PolarHBondContact O-N 3.06Å; L59-L61 HydrophobicContact CB-CD2 4.18Å; L59-L61 HydrophobicContact CB-CG 3.83Å; L59-L61 HydrophobicContact CD1-CD1 4.32Å; L59-L61 HydrophobicContact CD1-CG 4.41Å; L59-L61 PolarHBondContact O-N 3.34Å
60	D	92.2	Very high	92.3	Very high	120 Å²	120	86.2 Å²	86.2	64%	0.642	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	41.7	-177.3	-157.5	29.3	0	0	0	112.1	L56 Q58 F62	L56-D60 PolarHBondContact O-N 3.47Å; Q58-D60 VanDerWaalsContact C-N 3.3Å; D60-F62 PolarHBondContact O-N 3.2Å
61	L	88.4	Confident	92.1	Very high	53 Å²	53	80.6 Å²	80.6	28%	0.277	41%	0.405	S	S	.	.			trans	-63.2	-13.9	-176.4	-70.9	-175.4	0	0	0	113.8	L12 L56 L59 Y78	L12-L61 HydrophobicContact CD2-CD1 4.43Å; L56-L61 HydrophobicContact CD2-CD1 3.64Å; L56-L61 HydrophobicContact CD2-CG 4.44Å; L59-L61 HydrophobicContact CB-CD2 4.18Å; L59-L61 HydrophobicContact CB-CG 3.83Å; L59-L61 HydrophobicContact CD1-CD1 4.32Å; L59-L61 HydrophobicContact CD1-CG 4.41Å; L59-L61 PolarHBondContact O-N 3.34Å; L61-Y78 HydrophobicContact CD1-CD2 4.15Å
62	F	91	Very high	92	Very high	30 Å²	30	78.7 Å²	78.7	13%	0.132	41%	0.406	C	S	.	.			trans	-133	103.3	-171.8	-57.5	-54	0	0	0	111	L56 D60 I71 L79 Q115 Y119	L56-F62 HydrophobicContact CD2-CE2 4.31Å; D60-F62 PolarHBondContact O-N 3.2Å; F62-I71 HydrophobicContact CD1-CD1 3.84Å; F62-I71 HydrophobicContact CD1-CG1 4.49Å; F62-I71 HydrophobicContact CE1-CD1 3.94Å; F62-I71 HydrophobicContact CE1-CG2 3.94Å; F62-L79 HydrophobicContact CD1-CD2 3.7Å; F62-L79 HydrophobicContact CD1-CG 4.24Å; F62-L79 HydrophobicContact CD2-CD2 3.9Å; F62-L79 HydrophobicContact CE1-CD1 4.41Å; F62-L79 HydrophobicContact CE1-CD2 3.66Å; F62-L79 HydrophobicContact CE1-CG 3.69Å; F62-L79 HydrophobicContact CE2-CD2 3.85Å; F62-L79 HydrophobicContact CE2-CG 4.2Å; F62-L79 HydrophobicContact CG-CD2 3.83Å; F62-L79 HydrophobicContact CZ-CD2 3.72Å; F62-L79 HydrophobicContact CZ-CG 3.65Å; F62-Q115 VanDerWaalsContact CB-NE2 3.26Å; F62-Y119 WeakPolarHBondContact CA-OH 3.43Å; F62-Y119 HydrophobicContact CB-CE2 4.22Å; F62-Y119 VanDerWaalsContact CB-OH 3.24Å; F62-Y119 WeakPolarHBondContact CB-OH 3.25Å; F62-Y119 HydrophobicContact CD1-CE2 4.49Å
63	S	89.3	Confident	91.9	Very high	41 Å²	41	79.1 Å²	79.1	29%	0.287	41%	0.409	S	S	.	.			trans	-90.9	140.6	171.4	-177.5	0	0	0	0	112.1	N65 E66 Y119	S63-N65 PolarHBondContact O-N 3.24Å; S63-E66 VanDerWaalsContact CB-CD 3.48Å; S63-E66 PolarHBondContact N-OE2 3.11Å; S63-E66 PolarHBondContact O-N 2.92Å; S63-Y119 PolarHBondContact N-OH 2.68Å; S63-Y119 PolarHBondContact O-OH 3.12Å
64	R	83.1	Confident	91.7	Very high	179 Å²	179	81.6 Å²	81.6	68%	0.675	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.5	177.1	-74.6	-178.6	168.7	-174.7	-2.8	114.9
65	N	83.8	Confident	91.6	Very high	153 Å²	153	78 Å²	78	82%	0.818	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	5.1	-176.4	-56.6	-51.6	0	0	0	113.2	S63	S63-N65 PolarHBondContact O-N 3.24Å
66	E	86.1	Confident	91.6	Very high	67 Å²	67	75.2 Å²	75.2	31%	0.313	39%	0.392	S	S	.	.			trans	-88.1	154.3	177.9	-78.5	166.5	175.1	0	0	111.2	S63 E70 Y119	S63-E66 VanDerWaalsContact CB-CD 3.48Å; S63-E66 PolarHBondContact N-OE2 3.11Å; S63-E66 PolarHBondContact O-N 2.92Å; E66-E70 VanDerWaalsContact CA-OE2 3.25Å; E66-E70 WeakPolarHBondContact CA-OE2 3.43Å; E66-E70 WeakPolarHBondContact CB-OE2 3.38Å; E66-E70 WeakPolarHBondContact CG-OE2 3.36Å; E66-Y119 HydrophobicContact CB-CE1 3.75Å; E66-Y119 VanDerWaalsContact O-CD1 3.27Å; E66-Y119 WeakPolarHBondContact O-CD1 3.39Å; E66-Y119 VanDerWaalsContact O-CE1 3.32Å; E66-Y119 WeakPolarHBondContact O-CE1 3.4Å; E66-Y119 PolarHBondContact OE2-OH 3.38Å
67	D	87.1	Confident	91.6	Very high	85 Å²	85	75.7 Å²	75.7	46%	0.455	39%	0.393	S	S	.	.			trans	-88.1	156	169.3	-145.4	-28.1	0	0	0	110.6	E69 E70	D67-E69 PolarHBondContact O-N 3.49Å; D67-E69 VanDerWaalsContact O-N 3.17Å; D67-E70 HydrophobicContact CB-CG 4.32Å; D67-E70 PolarHBondContact N-OE2 3.13Å; D67-E70 WeakPolarHBondContact O-CB 3.45Å; D67-E70 PolarHBondContact O-N 3.23Å
68	L	91.1	Very high	91.8	Very high	13 Å²	13	71.8 Å²	71.8	7%	0.068	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-60	-32.2	-179.7	-169.6	70.1	0	0	0	111.3	E70 I71 L76 L79 Y119 V121 R190	L68-E70 PolarHBondContact O-N 2.71Å; L68-I71 HydrophobicContact CD1-CD1 4.11Å; L68-I71 PolarHBondContact O-N 3.37Å; L68-L76 HydrophobicContact CD1-CD2 3.64Å; L68-L76 HydrophobicContact CG-CD2 4.16Å; L68-L79 HydrophobicContact CD1-CD1 4.07Å; L68-Y119 HydrophobicContact CD1-CG 4.43Å; L68-V121 HydrophobicContact CD1-CG2 4.02Å; L68-V121 HydrophobicContact CD2-CG2 4.15Å; L68-R190 PolarHBondContact O-NH2 3.41Å
69	E	90.7	Very high	91.9	Very high	160 Å²	160	65.4 Å²	65.4	75%	0.748	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-62.9	-23.5	177.4	-62.3	-162.8	137.4	0	0	114.1	D67 I71	D67-E69 PolarHBondContact O-N 3.49Å; D67-E69 VanDerWaalsContact O-N 3.17Å; E69-I71 VanDerWaalsContact C-N 3.3Å
70	E	92.4	Very high	92.1	Very high	133 Å²	133	60.9 Å²	60.9	62%	0.621	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-81	-15.3	-179.4	-58.7	-178.8	145.3	0	0	112.2	E66 D67 L68	E66-E70 VanDerWaalsContact CA-OE2 3.25Å; E66-E70 WeakPolarHBondContact CA-OE2 3.43Å; E66-E70 WeakPolarHBondContact CB-OE2 3.38Å; E66-E70 WeakPolarHBondContact CG-OE2 3.36Å; D67-E70 HydrophobicContact CB-CG 4.32Å; D67-E70 PolarHBondContact N-OE2 3.13Å; D67-E70 WeakPolarHBondContact O-CB 3.45Å; D67-E70 PolarHBondContact O-N 3.23Å; L68-E70 PolarHBondContact O-N 2.71Å
71	I	94.5	Very high	92.4	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.062	28%	0.28	C	S	.	.	S	Bend	trans	-82.8	129.9	177.9	-51.6	177.1	0	0	0	110.1	F62 L68 E69 D75 L76 L79 Y119 R190	F62-I71 HydrophobicContact CD1-CD1 3.84Å; F62-I71 HydrophobicContact CD1-CG1 4.49Å; F62-I71 HydrophobicContact CE1-CD1 3.94Å; F62-I71 HydrophobicContact CE1-CG2 3.94Å; L68-I71 HydrophobicContact CD1-CD1 4.11Å; L68-I71 PolarHBondContact O-N 3.37Å; E69-I71 VanDerWaalsContact C-N 3.3Å; I71-D75 HydrophobicContact CG2-CB 4.08Å; I71-L76 HydrophobicContact CB-CD2 4.02Å; I71-L76 HydrophobicContact CD1-CD2 4.32Å; I71-L76 HydrophobicContact CG2-CD2 3.95Å; I71-L76 HydrophobicContact CG2-CG 4.29Å; I71-L79 HydrophobicContact CD1-CD1 4.08Å; I71-Y119 HydrophobicContact CD1-CD1 4.04Å; I71-Y119 HydrophobicContact CD1-CE1 3.72Å; I71-Y119 HydrophobicContact CD1-CE2 4.28Å; I71-Y119 HydrophobicContact CD1-CG 4.45Å; I71-Y119 HydrophobicContact CG1-CE1 4.31Å; I71-R190 PolarHBondContact O-NH1 3.41Å
72	A	94.9	Very high	92.9	Very high	49 Å²	49	54.1 Å²	54.1	41%	0.405	28%	0.276	S	S	.	.			trans	-56.6	138.3	173.1	0	0	0	0	0	111.7	T74 D75 L76	A72-T74 PolarHBondContact O-N 2.8Å; A72-T74 VanDerWaalsContact O-N 3.07Å; A72-D75 HydrophobicContact CB-CB 4.37Å; A72-D75 PolarHBondContact O-N 3.32Å; A72-L76 PolarHBondContact O-N 3.25Å
73	S	95.4	Very high	93.2	Very high	9 Å²	9	52.7 Å²	52.7	6%	0.063	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.3	-176.4	-56.6	0	0	0	0	113.3	D75 D186 Y193	S73-D75 VanDerWaalsContact C-N 3.35Å; S73-D186 WeakPolarHBondContact CB-OD1 3.42Å; S73-D186 PolarHBondContact OG-OD1 2.69Å; S73-D186 PolarHBondContact OG-OD2 3.27Å; S73-Y193 WeakPolarHBondContact O-CD2 3.49Å
74	T	92.6	Very high	93.7	Very high	84 Å²	84	50.9 Å²	50.9	52%	0.515	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-23.7	176.2	52.6	0	0	0	0	114.3	A72 K77	A72-T74 PolarHBondContact O-N 2.8Å; A72-T74 VanDerWaalsContact O-N 3.07Å; T74-K77 WeakPolarHBondContact O-CD 3.44Å; T74-K77 WeakPolarHBondContact O-CE 3.39Å; T74-K77 WeakPolarHBondContact O-CG 3.35Å
75	D	95.9	Very high	94.4	Very high	42 Å²	42	43.2 Å²	43.2	23%	0.225	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-18.5	-172.4	-63.2	-13.4	0	0	0	111.9	I71 A72 S73 K77 Y78	I71-D75 HydrophobicContact CG2-CB 4.08Å; A72-D75 HydrophobicContact CB-CB 4.37Å; A72-D75 PolarHBondContact O-N 3.32Å; S73-D75 VanDerWaalsContact C-N 3.35Å; D75-K77 PolarHBondContact O-N 2.93Å; D75-Y78 HydrophobicContact CB-CD2 4.05Å; D75-Y78 HydrophobicContact CB-CE2 4.33Å; D75-Y78 WeakPolarHBondContact O-CB 3.21Å; D75-Y78 WeakPolarHBondContact O-CD2 3.35Å; D75-Y78 PolarHBondContact O-N 3.37Å
76	L	96.1	Very high	95.1	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-49.6	-35.3	173.7	-74	177.2	0	0	0	113.2	L68 I71 A72 Y78 L79 R190 Y193	L68-L76 HydrophobicContact CD1-CD2 3.64Å; L68-L76 HydrophobicContact CG-CD2 4.16Å; I71-L76 HydrophobicContact CB-CD2 4.02Å; I71-L76 HydrophobicContact CD1-CD2 4.32Å; I71-L76 HydrophobicContact CG2-CD2 3.95Å; I71-L76 HydrophobicContact CG2-CG 4.29Å; A72-L76 PolarHBondContact O-N 3.25Å; L76-Y78 PolarHBondContact O-N 2.93Å; L76-L79 HydrophobicContact CD2-CD1 4.34Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.21Å; L76-R190 HydrophobicContact CD1-CG 3.79Å; L76-Y193 HydrophobicContact CB-CG 4.38Å
77	K	96.1	Very high	95.7	Very high	25 Å²	25	33.2 Å²	33.2	11%	0.109	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-60.8	-29.9	179.3	73.3	-170.4	-179.2	166.6	0	113	F16 E17 T74 D75 L79 L80 Y193	F16-K77 HydrophobicContact CD1-CD 4.03Å; F16-K77 HydrophobicContact CD1-CG 4.17Å; F16-K77 HydrophobicContact CE1-CB 3.87Å; F16-K77 HydrophobicContact CE1-CD 3.74Å; F16-K77 HydrophobicContact CE1-CG 3.74Å; F16-K77 WeakPolarHBondContact CE2-O 3.32Å; F16-K77 HydrophobicContact CZ-CB 3.75Å; F16-K77 HydrophobicContact CZ-CD 4.43Å; F16-K77 HydrophobicContact CZ-CG 3.93Å; F16-K77 WeakPolarHBondContact CZ-O 3.41Å; E17-K77 IonicContact OE1-NZ 2.8Å; E17-K77 PolarHBondContact OE1-NZ 3.4Å; T74-K77 WeakPolarHBondContact O-CD 3.44Å; T74-K77 WeakPolarHBondContact O-CE 3.39Å; T74-K77 WeakPolarHBondContact O-CG 3.35Å; D75-K77 PolarHBondContact O-N 2.93Å; K77-L79 PolarHBondContact O-N 3.07Å; K77-L80 VanDerWaalsContact O-CB 3.24Å; K77-L80 WeakPolarHBondContact O-CB 3.31Å; K77-L80 WeakPolarHBondContact O-CG 3.39Å; K77-L80 PolarHBondContact O-N 3.44Å; K77-L80 VanDerWaalsContact O-N 3.08Å; K77-Y193 HydrophobicContact CB-CD1 3.69Å; K77-Y193 HydrophobicContact CB-CE1 3.43Å; K77-Y193 VanDerWaalsContact CB-CE1 3.43Å; K77-Y193 HydrophobicContact CB-CE2 4.39Å; K77-Y193 HydrophobicContact CB-CG 4.3Å; K77-Y193 HydrophobicContact CD-CE1 4.27Å
78	Y	97.8	Very high	96.2	Very high	13 Å²	13	29.1 Å²	29.1	5%	0.051	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-72.1	-18.7	-178.2	-57.9	-54.3	0	0	0	113.1	L12 P13 F16 L56 L61 D75 L76 L80 V81	L12-Y78 HydrophobicContact CD1-CD1 4.28Å; L12-Y78 HydrophobicContact CD1-CE1 4.15Å; L12-Y78 HydrophobicContact CD2-CD1 4.46Å; L12-Y78 HydrophobicContact CD2-CD2 4.34Å; L12-Y78 HydrophobicContact CD2-CE1 4.13Å; L12-Y78 HydrophobicContact CD2-CE2 4Å; L12-Y78 HydrophobicContact CG-CD1 4.28Å; L12-Y78 HydrophobicContact CG-CE1 3.76Å; L12-Y78 HydrophobicContact CG-CE2 4.48Å; P13-Y78 WeakPolarHBondContact CG-OH 3.24Å; F16-Y78 HydrophobicContact CB-CD1 4.08Å; F16-Y78 HydrophobicContact CB-CE1 3.77Å; F16-Y78 HydrophobicContact CD1-CE1 4.43Å; F16-Y78 AromaticContact CD2-CD1 3.81Å; F16-Y78 HydrophobicContact CD2-CD1 3.81Å; F16-Y78 HydrophobicContact CD2-CE1 4.31Å; F16-Y78 HydrophobicContact CE2-CD1 4.41Å; F16-Y78 AromaticContact CG-CD1 3.9Å; F16-Y78 HydrophobicContact CG-CD1 3.9Å; F16-Y78 AromaticContact CG-CE1 3.92Å; F16-Y78 HydrophobicContact CG-CE1 3.92Å; L56-Y78 HydrophobicContact CD1-CG 4.43Å; L56-Y78 HydrophobicContact CD2-CD1 4.41Å; L56-Y78 HydrophobicContact CD2-CD2 4.06Å; L56-Y78 HydrophobicContact CD2-CG 3.79Å; L61-Y78 HydrophobicContact CD1-CD2 4.15Å; D75-Y78 HydrophobicContact CB-CD2 4.05Å; D75-Y78 HydrophobicContact CB-CE2 4.33Å; D75-Y78 WeakPolarHBondContact O-CB 3.21Å; D75-Y78 WeakPolarHBondContact O-CD2 3.35Å; D75-Y78 PolarHBondContact O-N 3.37Å; L76-Y78 PolarHBondContact O-N 2.93Å; Y78-L80 PolarHBondContact O-N 3.46Å; Y78-L80 VanDerWaalsContact O-N 3.15Å; Y78-V81 WeakPolarHBondContact O-CB 3.5Å; Y78-V81 WeakPolarHBondContact O-CG2 3.17Å; Y78-V81 PolarHBondContact O-N 2.93Å; Y78-V81 VanDerWaalsContact O-N 3.11Å
79	L	97.3	Very high	96.6	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.4	-20.9	169	-69.8	173.3	0	0	0	112.2	F62 L68 I71 L76 K77 V81 P82 Y112 Q115 Y119 L197	F62-L79 HydrophobicContact CD1-CD2 3.7Å; F62-L79 HydrophobicContact CD1-CG 4.24Å; F62-L79 HydrophobicContact CD2-CD2 3.9Å; F62-L79 HydrophobicContact CE1-CD1 4.41Å; F62-L79 HydrophobicContact CE1-CD2 3.66Å; F62-L79 HydrophobicContact CE1-CG 3.69Å; F62-L79 HydrophobicContact CE2-CD2 3.85Å; F62-L79 HydrophobicContact CE2-CG 4.2Å; F62-L79 HydrophobicContact CG-CD2 3.83Å; F62-L79 HydrophobicContact CZ-CD2 3.72Å; F62-L79 HydrophobicContact CZ-CG 3.65Å; L68-L79 HydrophobicContact CD1-CD1 4.07Å; I71-L79 HydrophobicContact CD1-CD1 4.08Å; L76-L79 HydrophobicContact CD2-CD1 4.34Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.21Å; K77-L79 PolarHBondContact O-N 3.07Å; L79-V81 VanDerWaalsContact C-N 3.32Å; L79-P82 WeakPolarHBondContact O-CD 3.46Å; L79-Y112 VanDerWaalsContact O-CD2 3.22Å; L79-Y112 WeakPolarHBondContact O-CD2 3.37Å; L79-Y112 WeakPolarHBondContact O-CE2 3.49Å; L79-Q115 HydrophobicContact CD2-CG 3.64Å; L79-Y119 HydrophobicContact CD2-CD2 4.2Å; L79-Y119 HydrophobicContact CD2-CE2 4.01Å; L79-L197 HydrophobicContact CB-CD2 3.62Å; L79-L197 HydrophobicContact CD1-CD1 3.97Å; L79-L197 HydrophobicContact CD1-CD2 4.39Å
80	L	98.2	Very high	96.9	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-78	-13	178.2	-62.3	164.9	0	0	0	113.8	F16 K77 Y78 A83 F84 Y112 H196 L197 W200	F16-L80 HydrophobicContact CE2-CB 4.44Å; K77-L80 VanDerWaalsContact O-CB 3.24Å; K77-L80 WeakPolarHBondContact O-CB 3.31Å; K77-L80 WeakPolarHBondContact O-CG 3.39Å; K77-L80 PolarHBondContact O-N 3.44Å; K77-L80 VanDerWaalsContact O-N 3.08Å; Y78-L80 PolarHBondContact O-N 3.46Å; Y78-L80 VanDerWaalsContact O-N 3.15Å; L80-A83 WeakPolarHBondContact O-CB 3.44Å; L80-A83 PolarHBondContact O-N 3.37Å; L80-F84 HydrophobicContact CB-CD2 4.31Å; L80-F84 HydrophobicContact CB-CE1 4.17Å; L80-F84 HydrophobicContact CB-CE2 3.9Å; L80-F84 HydrophobicContact CB-CZ 3.82Å; L80-F84 HydrophobicContact CD1-CZ 4Å; L80-F84 HydrophobicContact CG-CZ 4.45Å; L80-F84 PolarHBondContact O-N 2.95Å; L80-Y112 HydrophobicContact CD2-CE2 4.28Å; L80-H196 HydrophobicContact CD1-CB 4.2Å; L80-L197 HydrophobicContact CD2-CD2 3.68Å; L80-L197 HydrophobicContact CD2-CG 4.47Å; L80-L197 HydrophobicContact CG-CD2 3.86Å; L80-W200 HydrophobicContact CD2-CB 3.85Å; L80-W200 VanDerWaalsContact CD2-CD1 3.42Å; L80-W200 HydrophobicContact CD2-CG 3.72Å
81	V	98.4	Very high	97.2	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-53.6	-48.5	-174.5	169.4	0	0	0	0	112.5	F16 A53 L56 Y78 L79 A83 F84 Q85	F16-V81 HydrophobicContact CD2-CG2 3.64Å; F16-V81 HydrophobicContact CE2-CG2 3.93Å; A53-V81 HydrophobicContact CB-CG1 3.95Å; L56-V81 HydrophobicContact CD1-CB 4.2Å; L56-V81 HydrophobicContact CD1-CG2 3.79Å; Y78-V81 WeakPolarHBondContact O-CB 3.5Å; Y78-V81 WeakPolarHBondContact O-CG2 3.17Å; Y78-V81 PolarHBondContact O-N 2.93Å; Y78-V81 VanDerWaalsContact O-N 3.11Å; L79-V81 VanDerWaalsContact C-N 3.32Å; V81-A83 VanDerWaalsContact C-N 3.32Å; V81-A83 PolarHBondContact O-N 3.13Å; V81-F84 PolarHBondContact O-N 3.38Å; V81-Q85 HydrophobicContact CG1-CG 4.41Å; V81-Q85 WeakPolarHBondContact O-CG 3.41Å; V81-Q85 PolarHBondContact O-N 2.95Å
82	P	98.4	Very high	97.4	Very high	30 Å²	30	19.9 Å²	19.9	20%	0.195	11%	0.112	C	C	.	.	H	α-helix	trans	-66.6	-33.4	179.3	-15.1	29.6	0	0	0	112.3	L79 Q85 G86 H108 N111	L79-P82 WeakPolarHBondContact O-CD 3.46Å; P82-Q85 PolarHBondContact O-N 3.33Å; P82-G86 PolarHBondContact O-N 2.94Å; P82-H108 WeakPolarHBondContact CB-O 3.45Å; P82-H108 WeakPolarHBondContact O-CB 3.49Å; P82-N111 HydrophobicContact CB-CB 4.31Å
83	A	98.5	Very high	97.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-43.7	175.1	0	0	0	0	0	111.7	L80 V81 G86 A87 F109 Y112 W200	L80-A83 WeakPolarHBondContact O-CB 3.44Å; L80-A83 PolarHBondContact O-N 3.37Å; V81-A83 VanDerWaalsContact C-N 3.32Å; V81-A83 PolarHBondContact O-N 3.13Å; A83-G86 PolarHBondContact O-N 3.46Å; A83-A87 PolarHBondContact O-N 3.44Å; A83-F109 WeakPolarHBondContact O-CE1 3.47Å; A83-Y112 HydrophobicContact CB-CD1 3.95Å; A83-Y112 HydrophobicContact CB-CD2 3.77Å; A83-Y112 HydrophobicContact CB-CE1 4.25Å; A83-Y112 HydrophobicContact CB-CE2 4.08Å; A83-Y112 HydrophobicContact CB-CG 3.69Å; A83-W200 HydrophobicContact CB-CB 4.35Å; A83-W200 HydrophobicContact CB-CD2 4.02Å; A83-W200 HydrophobicContact CB-CE3 3.61Å; A83-W200 HydrophobicContact CB-CG 4.36Å; A83-W200 HydrophobicContact CB-CZ3 4.22Å
84	F	98.7	Very high	97.4	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.018	13%	0.128	C	C	.	.	H	α-helix	trans	-65.7	-38.9	176.2	-64.6	-19.4	0	0	0	112.6	F16 K20 L23 L49 L80 V81 G86 A87 L88 W200	F16-F84 HydrophobicContact CE1-CE2 4.5Å; F16-F84 HydrophobicContact CE2-CD2 4.07Å; F16-F84 AromaticContact CE2-CE2 3.65Å; F16-F84 HydrophobicContact CE2-CE2 3.65Å; F16-F84 HydrophobicContact CZ-CD2 4.45Å; F16-F84 AromaticContact CZ-CE2 3.59Å; F16-F84 HydrophobicContact CZ-CE2 3.59Å; F16-F84 HydrophobicContact CZ-CZ 4.39Å; K20-F84 HydrophobicContact CB-CE2 3.97Å; K20-F84 HydrophobicContact CD-CE2 4.36Å; K20-F84 HydrophobicContact CD-CZ 4.31Å; K20-F84 HydrophobicContact CG-CE2 4.06Å; K20-F84 HydrophobicContact CG-CZ 4.11Å; L23-F84 HydrophobicContact CD2-CB 4.04Å; L23-F84 HydrophobicContact CD2-CD1 3.52Å; L23-F84 HydrophobicContact CD2-CE1 4.17Å; L23-F84 HydrophobicContact CD2-CG 3.93Å; L49-F84 HydrophobicContact CD1-CB 3.51Å; L49-F84 HydrophobicContact CD2-CD2 4.45Å; L80-F84 HydrophobicContact CB-CD2 4.31Å; L80-F84 HydrophobicContact CB-CE1 4.17Å; L80-F84 HydrophobicContact CB-CE2 3.9Å; L80-F84 HydrophobicContact CB-CZ 3.82Å; L80-F84 HydrophobicContact CD1-CZ 4Å; L80-F84 HydrophobicContact CG-CZ 4.45Å; L80-F84 PolarHBondContact O-N 2.95Å; V81-F84 PolarHBondContact O-N 3.38Å; F84-G86 VanDerWaalsContact C-N 3.33Å; F84-G86 PolarHBondContact O-N 2.81Å; F84-A87 PolarHBondContact O-N 3.09Å; F84-L88 PolarHBondContact O-N 3.09Å; F84-W200 AromaticContact CD1-CE2 3.84Å; F84-W200 AromaticContact CD1-CH2 3.91Å; F84-W200 HydrophobicContact CD1-CH2 3.91Å; F84-W200 AromaticContact CD1-CZ2 3.5Å; F84-W200 HydrophobicContact CD1-CZ2 3.5Å; F84-W200 HydrophobicContact CE1-CD2 4.35Å; F84-W200 AromaticContact CE1-CE2 3.44Å; F84-W200 VanDerWaalsContact CE1-CE2 3.44Å; F84-W200 HydrophobicContact CE1-CH2 4.25Å; F84-W200 AromaticContact CE1-CZ2 3.39Å; F84-W200 HydrophobicContact CE1-CZ2 3.39Å; F84-W200 AromaticContact CE1-NE1 3.5Å
85	Q	98.7	Very high	97.5	Very high	18 Å²	18	24.9 Å²	24.9	8%	0.084	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-43.7	172.6	-71.7	174.5	-34.4	0	0	111.2	L49 V81 P82 T89 H108	L49-Q85 HydrophobicContact CB-CG 3.78Å; L49-Q85 HydrophobicContact CD1-CG 4.26Å; L49-Q85 PolarHBondContact O-NE2 3.03Å; V81-Q85 HydrophobicContact CG1-CG 4.41Å; V81-Q85 WeakPolarHBondContact O-CG 3.41Å; V81-Q85 PolarHBondContact O-N 2.95Å; P82-Q85 PolarHBondContact O-N 3.33Å; Q85-T89 WeakPolarHBondContact O-CB 3.37Å; Q85-T89 PolarHBondContact O-N 3.42Å; Q85-T89 PolarHBondContact O-OG1 3.09Å; Q85-H108 HydrophobicContact CB-CB 4.26Å; Q85-H108 PolarHBondContact OE1-CE1 3.3Å; Q85-H108 PolarHBondContact OE1-ND1 3.35Å; Q85-H108 VanDerWaalsContact OE1-ND1 3.07Å
86	G	98.4	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-49.5	174.5	0	0	0	0	0	112.2	P82 A83 F84 T89 M90 F109	P82-G86 PolarHBondContact O-N 2.94Å; A83-G86 PolarHBondContact O-N 3.46Å; F84-G86 VanDerWaalsContact C-N 3.33Å; F84-G86 PolarHBondContact O-N 2.81Å; G86-T89 WeakPolarHBondContact O-CB 3.45Å; G86-T89 PolarHBondContact O-N 3.24Å; G86-M90 WeakPolarHBondContact O-CG 3.38Å; G86-M90 PolarHBondContact O-N 2.91Å; G86-F109 VanDerWaalsContact C-CZ 3.41Å
87	A	98.4	Very high	97.4	Very high	9 Å²	9	33.5 Å²	33.5	7%	0.074	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-50.3	179.5	0	0	0	0	0	112.6	L23 A83 F84 T89 M90 K91 W200	L23-A87 HydrophobicContact CD1-CB 3.94Å; L23-A87 HydrophobicContact CD2-CB 4.14Å; A83-A87 PolarHBondContact O-N 3.44Å; F84-A87 PolarHBondContact O-N 3.09Å; A87-T89 VanDerWaalsContact C-N 3.3Å; A87-T89 PolarHBondContact O-N 2.86Å; A87-M90 WeakPolarHBondContact O-CB 3.48Å; A87-M90 PolarHBondContact O-N 3.39Å; A87-K91 WeakPolarHBondContact O-CG 3.46Å; A87-K91 PolarHBondContact O-N 3.5Å; A87-W200 HydrophobicContact CB-CH2 3.74Å; A87-W200 HydrophobicContact CB-CZ3 3.89Å
88	L	98.4	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-36.3	176.5	-78.1	-179.4	0	0	0	112	L23 V42 L46 L49 F84 M90 K91	L23-L88 HydrophobicContact CB-CD2 4.02Å; L23-L88 HydrophobicContact CB-CG 4.16Å; L23-L88 HydrophobicContact CD1-CD2 3.76Å; L23-L88 HydrophobicContact CD1-CG 3.97Å; L23-L88 HydrophobicContact CG-CD2 4.49Å; V42-L88 WeakPolarHBondContact CG1-O 3.39Å; V42-L88 HydrophobicContact CG2-CD2 4.48Å; L46-L88 HydrophobicContact CD2-CB 3.65Å; L46-L88 HydrophobicContact CG-CB 3.88Å; L46-L88 HydrophobicContact CG-CD1 4.41Å; L49-L88 HydrophobicContact CD1-CD1 3.81Å; F84-L88 PolarHBondContact O-N 3.09Å; L88-M90 PolarHBondContact O-N 3.13Å; L88-K91 WeakPolarHBondContact O-CB 3.38Å; L88-K91 PolarHBondContact O-N 3.27Å
89	T	98.5	Very high	97.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-39.3	176.3	-64.6	0	0	0	0	110.8	Q85 G86 A87 K91 Q92 H101 R104 A105	Q85-T89 WeakPolarHBondContact O-CB 3.37Å; Q85-T89 PolarHBondContact O-N 3.42Å; Q85-T89 PolarHBondContact O-OG1 3.09Å; G86-T89 WeakPolarHBondContact O-CB 3.45Å; G86-T89 PolarHBondContact O-N 3.24Å; A87-T89 VanDerWaalsContact C-N 3.3Å; A87-T89 PolarHBondContact O-N 2.86Å; T89-K91 VanDerWaalsContact C-N 3.26Å; T89-K91 PolarHBondContact O-N 2.91Å; T89-Q92 WeakPolarHBondContact O-CB 3.48Å; T89-Q92 PolarHBondContact O-N 2.81Å; T89-Q92 PolarHBondContact O-NE2 3.4Å; T89-H101 HydrophobicContact CG2-CB 4.34Å; T89-H101 WeakPolarHBondContact CG2-O 3.49Å; T89-R104 HydrophobicContact CG2-CB 4.07Å; T89-A105 HydrophobicContact CG2-CB 3.83Å
90	M	98.1	Very high	97.4	Very high	28 Å²	28	39.3 Å²	39.3	14%	0.138	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-24.3	175.9	-71	-61.7	-79.4	0	0	113.8	G86 A87 L88 Q92 R98 L102 A105 F109 E207 I211	G86-M90 WeakPolarHBondContact O-CG 3.38Å; G86-M90 PolarHBondContact O-N 2.91Å; A87-M90 WeakPolarHBondContact O-CB 3.48Å; A87-M90 PolarHBondContact O-N 3.39Å; L88-M90 PolarHBondContact O-N 3.13Å; M90-Q92 VanDerWaalsContact C-N 3.34Å; M90-R98 PolarHBondContact O-NH1 3.46Å; M90-L102 HydrophobicContact CE-CD2 3.96Å; M90-L102 HydrophobicContact SD-CD2 3.85Å; M90-A105 HydrophobicContact CG-CB 3.77Å; M90-A105 HydrophobicContact SD-CB 3.68Å; M90-F109 HydrophobicContact CG-CE2 4.23Å; M90-E207 WeakPolarHBondContact CE-OE2 3.47Å; M90-I211 HydrophobicContact CE-CD1 4.13Å; M90-I211 HydrophobicContact CE-CG1 3.61Å; M90-I211 HydrophobicContact CG-CD1 4.38Å; M90-I211 HydrophobicContact SD-CD1 3.79Å; M90-I211 HydrophobicContact SD-CG1 3.76Å
91	K	97.8	Very high	97.4	Very high	82 Å²	82	39.3 Å²	39.3	36%	0.357	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-8.1	177.3	-54.4	-55.8	-177.2	-168.3	0	113.9	V26 Q39 V42 A87 L88 T89 V93	V26-K91 HydrophobicContact CG1-CB 3.99Å; V26-K91 HydrophobicContact CG1-CD 4.3Å; V26-K91 HydrophobicContact CG1-CG 3.75Å; Q39-K91 PolarHBondContact NE2-O 2.88Å; V42-K91 HydrophobicContact CG1-CB 4.39Å; V42-K91 HydrophobicContact CG2-CB 3.71Å; A87-K91 WeakPolarHBondContact O-CG 3.46Å; A87-K91 PolarHBondContact O-N 3.5Å; L88-K91 WeakPolarHBondContact O-CB 3.38Å; L88-K91 PolarHBondContact O-N 3.27Å; T89-K91 VanDerWaalsContact C-N 3.26Å; T89-K91 PolarHBondContact O-N 2.91Å; K91-V93 PolarHBondContact O-N 2.95Å
92	Q	97.9	Very high	97.4	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.056	21%	0.214	C	C	.	.			trans	-70.1	125.3	176.8	-70.6	175.2	92	0	0	111.8	V42 L46 T89 M90 H101	V42-Q92 HydrophobicContact CG1-CG 3.65Å; L46-Q92 HydrophobicContact CD1-CG 4.01Å; T89-Q92 WeakPolarHBondContact O-CB 3.48Å; T89-Q92 PolarHBondContact O-N 2.81Å; T89-Q92 PolarHBondContact O-NE2 3.4Å; M90-Q92 VanDerWaalsContact C-N 3.34Å; Q92-H101 VanDerWaalsContact CB-CE1 3.48Å; Q92-H101 WeakPolarHBondContact CB-CE1 3.42Å; Q92-H101 WeakPolarHBondContact CB-ND1 3.42Å; Q92-H101 PolarHBondContact O-ND1 3.43Å
93	V	96.4	Very high	97.3	Very high	79 Å²	79	42 Å²	42	48%	0.479	23%	0.225	S	C	.	.			trans	-103.6	92.3	179.3	-177	0	0	0	0	110	A33 K91	A33-V93 HydrophobicContact CB-CG2 4.37Å; K91-V93 PolarHBondContact O-N 2.95Å
94	N	95.3	Very high	97.3	Very high	60 Å²	60	45.8 Å²	45.8	32%	0.321	24%	0.239	S	C	.	.			trans	-146.1	99	169.1	-171.4	-25.5	0	0	0	110.1	S96 K97 R98	N94-S96 PolarHBondContact O-N 2.92Å; N94-S96 VanDerWaalsContact O-N 3.15Å; N94-S96 PolarHBondContact OD1-N 3.36Å; N94-S96 PolarHBondContact OD1-OG 2.97Å; N94-K97 HydrophobicContact CB-CB 4.39Å; N94-K97 CarbonylContact O-C 3.5Å; N94-K97 PolarHBondContact O-N 3.2Å; N94-R98 PolarHBondContact O-N 3.31Å
95	P	93.6	Very high	97.3	Very high	109 Å²	109	45.6 Å²	45.6	71%	0.708	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-57.5	-32.6	-175.1	-27.8	35.6	0	0	0	114.3	K97 R98	P95-K97 VanDerWaalsContact C-N 3.28Å; P95-K97 PolarHBondContact O-N 3.34Å; P95-R98 PolarHBondContact O-N 3.23Å
96	S	94.6	Very high	97.2	Very high	106 Å²	106	46.2 Å²	46.2	74%	0.741	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-69.1	-27.5	179.7	69.2	0	0	0	0	113.1	N94	N94-S96 PolarHBondContact O-N 2.92Å; N94-S96 VanDerWaalsContact O-N 3.15Å; N94-S96 PolarHBondContact OD1-N 3.36Å; N94-S96 PolarHBondContact OD1-OG 2.97Å
97	K	96.1	Very high	97.2	Very high	117 Å²	117	51.9 Å²	51.9	51%	0.509	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-109.3	9.1	-180	-64.7	-172.8	176.8	-172.9	0	113	N94 P95 L99 D100 H101	N94-K97 HydrophobicContact CB-CB 4.39Å; N94-K97 CarbonylContact O-C 3.5Å; N94-K97 PolarHBondContact O-N 3.2Å; P95-K97 VanDerWaalsContact C-N 3.28Å; P95-K97 PolarHBondContact O-N 3.34Å; K97-L99 VanDerWaalsContact C-N 3.28Å; K97-L99 PolarHBondContact O-N 3.47Å; K97-D100 WeakPolarHBondContact O-CB 3.41Å; K97-D100 PolarHBondContact O-N 2.66Å; K97-H101 WeakPolarHBondContact CB-NE2 3.29Å; K97-H101 PolarHBondContact O-CD2 3.11Å; K97-H101 PolarHBondContact O-N 3.43Å
98	R	96.8	Very high	97.2	Very high	53 Å²	53	53.4 Å²	53.4	20%	0.2	27%	0.272	C	S	.	.	H	α-helix	trans	-56.2	-41.5	-174.7	-179.8	57	176.7	177.4	2.6	112.4	M90 N94 P95 D100 H101 L102 E214 L218	M90-R98 PolarHBondContact O-NH1 3.46Å; N94-R98 PolarHBondContact O-N 3.31Å; P95-R98 PolarHBondContact O-N 3.23Å; R98-D100 VanDerWaalsContact C-N 3.34Å; R98-D100 PolarHBondContact O-N 2.94Å; R98-H101 PolarHBondContact O-N 3.22Å; R98-L102 HydrophobicContact CG-CD1 4.12Å; R98-L102 HydrophobicContact CG-CG 4.41Å; R98-L102 VanDerWaalsContact O-CG 3.26Å; R98-L102 WeakPolarHBondContact O-CG 3.37Å; R98-L102 PolarHBondContact O-N 2.98Å; R98-E214 IonicContact CZ-OE1 2.75Å; R98-E214 IonicContact CZ-OE2 3.56Å; R98-E214 IonicContact NE-OE1 3.26Å; R98-E214 PolarHBondContact NE-OE1 3.28Å; R98-E214 IonicContact NE-OE2 3.37Å; R98-E214 IonicContact NH2-OE1 2.69Å; R98-E214 PolarHBondContact NH2-OE1 3.45Å; R98-E214 IonicContact NH2-OE2 3.49Å; R98-E214 PolarHBondContact NH2-OE2 2.69Å; R98-L218 HydrophobicContact CG-CD1 3.96Å
99	L	96.3	Very high	97.2	Very high	45 Å²	45	53.5 Å²	53.5	24%	0.236	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-42.4	177.7	-176.8	63.2	0	0	0	112.2	K97 L102 Q103 I215	K97-L99 VanDerWaalsContact C-N 3.28Å; K97-L99 PolarHBondContact O-N 3.47Å; L99-L102 PolarHBondContact O-N 3.18Å; L99-Q103 WeakPolarHBondContact O-CG 3.47Å; L99-Q103 PolarHBondContact O-N 3.27Å; L99-I215 HydrophobicContact CD1-CG1 4.2Å; L99-I215 HydrophobicContact CD1-CG2 4.14Å
100	D	97.4	Very high	97.2	Very high	68 Å²	68	54.1 Å²	54.1	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-44.6	175.6	170.4	75.1	0	0	0	111.3	K97 R98 L102 Q103 R104	K97-D100 WeakPolarHBondContact O-CB 3.41Å; K97-D100 PolarHBondContact O-N 2.66Å; R98-D100 VanDerWaalsContact C-N 3.34Å; R98-D100 PolarHBondContact O-N 2.94Å; D100-L102 VanDerWaalsContact C-N 3.32Å; D100-L102 PolarHBondContact O-N 3.48Å; D100-Q103 PolarHBondContact O-N 3.36Å; D100-R104 PolarHBondContact O-N 3.32Å; D100-R104 IonicContact OD1-NE 3.5Å; D100-R104 IonicContact OD2-CZ 3.04Å; D100-R104 VanDerWaalsContact OD2-CZ 3.26Å; D100-R104 IonicContact OD2-NE 2.91Å; D100-R104 PolarHBondContact OD2-NE 3Å; D100-R104 IonicContact OD2-NH2 3.06Å; D100-R104 PolarHBondContact OD2-NH2 2.95Å
101	H	98.1	Very high	97.1	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.019	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-43.5	176.8	-60.9	-178.1	0	0	0	111.4	T89 Q92 K97 R98 R104 A105	T89-H101 HydrophobicContact CG2-CB 4.34Å; T89-H101 WeakPolarHBondContact CG2-O 3.49Å; Q92-H101 VanDerWaalsContact CB-CE1 3.48Å; Q92-H101 WeakPolarHBondContact CB-CE1 3.42Å; Q92-H101 WeakPolarHBondContact CB-ND1 3.42Å; Q92-H101 PolarHBondContact O-ND1 3.43Å; K97-H101 WeakPolarHBondContact CB-NE2 3.29Å; K97-H101 PolarHBondContact O-CD2 3.11Å; K97-H101 PolarHBondContact O-N 3.43Å; R98-H101 PolarHBondContact O-N 3.22Å; H101-R104 PolarHBondContact CD2-NH2 3.21Å; H101-R104 PolarHBondContact O-N 2.89Å; H101-A105 VanDerWaalsContact O-CB 3.3Å; H101-A105 WeakPolarHBondContact O-CB 3.46Å; H101-A105 PolarHBondContact O-N 3.35Å
102	L	97.9	Very high	97.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-42	177.2	-71.1	170.4	0	0	0	112.1	M90 R98 L99 D100 R106 I211 E214 I215 L218	M90-L102 HydrophobicContact CE-CD2 3.96Å; M90-L102 HydrophobicContact SD-CD2 3.85Å; R98-L102 HydrophobicContact CG-CD1 4.12Å; R98-L102 HydrophobicContact CG-CG 4.41Å; R98-L102 VanDerWaalsContact O-CG 3.26Å; R98-L102 WeakPolarHBondContact O-CG 3.37Å; R98-L102 PolarHBondContact O-N 2.98Å; L99-L102 PolarHBondContact O-N 3.18Å; D100-L102 VanDerWaalsContact C-N 3.32Å; D100-L102 PolarHBondContact O-N 3.48Å; L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-I211 HydrophobicContact CB-CG2 4.09Å; L102-I211 HydrophobicContact CD2-CB 4.36Å; L102-I211 HydrophobicContact CD2-CG1 3.96Å; L102-I211 HydrophobicContact CD2-CG2 4.13Å; L102-I211 WeakPolarHBondContact O-CG2 3.39Å; L102-E214 HydrophobicContact CD1-CB 4.06Å; L102-E214 HydrophobicContact CD1-CG 3.78Å; L102-E214 WeakPolarHBondContact CD2-OE2 3.45Å; L102-I215 HydrophobicContact CB-CD1 4Å; L102-I215 HydrophobicContact CB-CG1 3.75Å; L102-I215 HydrophobicContact CD1-CG1 3.94Å; L102-I215 HydrophobicContact CG-CG1 4.44Å; L102-L218 HydrophobicContact CD1-CD1 3.49Å; L102-L218 VanDerWaalsContact CD1-CD1 3.49Å
103	Q	97.4	Very high	97.1	Very high	88 Å²	88	52.1 Å²	52.1	41%	0.411	27%	0.269	S	S	.	.	H	α-helix	trans	-65.1	-44.8	177.8	-71.8	175.4	-57.6	0	0	111.7	L99 D100 R106 E107 I215	L99-Q103 WeakPolarHBondContact O-CG 3.47Å; L99-Q103 PolarHBondContact O-N 3.27Å; D100-Q103 PolarHBondContact O-N 3.36Å; Q103-R106 PolarHBondContact O-N 3.31Å; Q103-E107 PolarHBondContact O-N 3.39Å; Q103-E107 VanDerWaalsContact O-N 3.08Å; Q103-I215 HydrophobicContact CG-CD1 4.33Å
104	R	98.1	Very high	97.1	Very high	79 Å²	79	50.5 Å²	50.5	30%	0.298	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-46	175.7	-73	-168.6	-77.3	139.4	-7	112.2	T89 D100 H101 R106 E107 H108	T89-R104 HydrophobicContact CG2-CB 4.07Å; D100-R104 PolarHBondContact O-N 3.32Å; D100-R104 IonicContact OD1-NE 3.5Å; D100-R104 IonicContact OD2-CZ 3.04Å; D100-R104 VanDerWaalsContact OD2-CZ 3.26Å; D100-R104 IonicContact OD2-NE 2.91Å; D100-R104 PolarHBondContact OD2-NE 3Å; D100-R104 IonicContact OD2-NH2 3.06Å; D100-R104 PolarHBondContact OD2-NH2 2.95Å; H101-R104 PolarHBondContact CD2-NH2 3.21Å; H101-R104 PolarHBondContact O-N 2.89Å; R104-R106 VanDerWaalsContact C-N 3.31Å; R104-R106 PolarHBondContact O-N 2.99Å; R104-E107 WeakPolarHBondContact O-CB 3.38Å; R104-E107 PolarHBondContact O-N 3.07Å; R104-E107 VanDerWaalsContact O-N 3.17Å; R104-H108 PolarHBondContact O-CD2 2.95Å; R104-H108 PolarHBondContact O-N 3.42Å
105	A	98.4	Very high	97	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-43.3	177	0	0	0	0	0	111.6	T89 M90 H101 E107 H108 F109 I211	T89-A105 HydrophobicContact CG2-CB 3.83Å; M90-A105 HydrophobicContact CG-CB 3.77Å; M90-A105 HydrophobicContact SD-CB 3.68Å; H101-A105 VanDerWaalsContact O-CB 3.3Å; H101-A105 WeakPolarHBondContact O-CB 3.46Å; H101-A105 PolarHBondContact O-N 3.35Å; A105-E107 VanDerWaalsContact C-N 3.32Å; A105-E107 PolarHBondContact O-N 2.88Å; A105-H108 PolarHBondContact O-N 2.92Å; A105-F109 HydrophobicContact CB-CE2 4.38Å; A105-F109 WeakPolarHBondContact O-CD2 3.37Å; A105-F109 PolarHBondContact O-N 2.84Å; A105-I211 HydrophobicContact CB-CD1 3.92Å
106	R	97.9	Very high	97.1	Very high	30 Å²	30	44.4 Å²	44.4	11%	0.113	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-40.9	176.1	-166.2	-175.4	-176.5	-71.6	-4.5	112.4	L102 Q103 R104 M110 K128 I211 D212	L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.02Å; Q103-R106 PolarHBondContact O-N 3.31Å; R104-R106 VanDerWaalsContact C-N 3.31Å; R104-R106 PolarHBondContact O-N 2.99Å; R106-M110 WeakPolarHBondContact O-CB 3.4Å; R106-M110 PolarHBondContact O-N 3.5Å; R106-K128 PolarHBondContact NH2-O 3.26Å; R106-I211 HydrophobicContact CB-CG2 4Å; R106-I211 HydrophobicContact CG-CG2 4.4Å; R106-D212 IonicContact CZ-OD1 3.94Å; R106-D212 IonicContact CZ-OD2 3.49Å; R106-D212 IonicContact NE-OD1 3.08Å; R106-D212 PolarHBondContact NE-OD1 2.88Å; R106-D212 IonicContact NE-OD2 3.74Å; R106-D212 PolarHBondContact NE-OD2 3.42Å; R106-D212 IonicContact NH2-OD1 3.95Å; R106-D212 IonicContact NH2-OD2 3Å; R106-D212 PolarHBondContact NH2-OD2 3.43Å
107	E	97.9	Very high	97.1	Very high	120 Å²	120	43.2 Å²	43.2	56%	0.561	20%	0.202	S	C	*	.	H	α-helix	trans	-64.7	-47.8	176.9	-177.6	174.5	-177.5	0	0	111.4	Q103 R104 A105 F109 M110 N111	Q103-E107 PolarHBondContact O-N 3.39Å; Q103-E107 VanDerWaalsContact O-N 3.08Å; R104-E107 WeakPolarHBondContact O-CB 3.38Å; R104-E107 PolarHBondContact O-N 3.07Å; R104-E107 VanDerWaalsContact O-N 3.17Å; A105-E107 VanDerWaalsContact C-N 3.32Å; A105-E107 PolarHBondContact O-N 2.88Å; E107-F109 PolarHBondContact O-N 3.22Å; E107-M110 PolarHBondContact O-N 2.76Å; E107-N111 WeakPolarHBondContact O-CB 3.12Å; E107-N111 VanDerWaalsContact O-CG 3.22Å; E107-N111 PolarHBondContact O-N 2.97Å
108	H	98.5	Very high	97	Very high	41 Å²	41	39.5 Å²	39.5	19%	0.19	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-46.5	176.1	-73.6	-58.1	0	0	0	112.7	P82 Q85 R104 A105 N111 Y112	P82-H108 WeakPolarHBondContact CB-O 3.45Å; P82-H108 WeakPolarHBondContact O-CB 3.49Å; Q85-H108 HydrophobicContact CB-CB 4.26Å; Q85-H108 PolarHBondContact OE1-CE1 3.3Å; Q85-H108 PolarHBondContact OE1-ND1 3.35Å; Q85-H108 VanDerWaalsContact OE1-ND1 3.07Å; R104-H108 PolarHBondContact O-CD2 2.95Å; R104-H108 PolarHBondContact O-N 3.42Å; A105-H108 PolarHBondContact O-N 2.92Å; H108-N111 PolarHBondContact O-N 3.39Å; H108-Y112 PolarHBondContact O-N 2.97Å
109	F	98.6	Very high	96.9	Very high	1 Å²	1	37 Å²	37	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-66.1	-38.2	176.1	-70.5	-52.4	0	0	0	112.7	A83 G86 M90 A105 E107 Y112 L113 S204 E207 I208 I211	A83-F109 WeakPolarHBondContact O-CE1 3.47Å; G86-F109 VanDerWaalsContact C-CZ 3.41Å; M90-F109 HydrophobicContact CG-CE2 4.23Å; A105-F109 HydrophobicContact CB-CE2 4.38Å; A105-F109 WeakPolarHBondContact O-CD2 3.37Å; A105-F109 PolarHBondContact O-N 2.84Å; E107-F109 PolarHBondContact O-N 3.22Å; F109-Y112 WeakPolarHBondContact O-CB 3.3Å; F109-Y112 PolarHBondContact O-N 3.36Å; F109-L113 WeakPolarHBondContact O-CB 3.36Å; F109-L113 WeakPolarHBondContact O-CG 3.36Å; F109-L113 PolarHBondContact O-N 2.95Å; F109-S204 VanDerWaalsContact CD1-OG 3.29Å; F109-S204 WeakPolarHBondContact CD1-OG 3.26Å; F109-E207 HydrophobicContact CD2-CB 4.03Å; F109-E207 HydrophobicContact CE2-CB 3.58Å; F109-E207 HydrophobicContact CE2-CG 4.06Å; F109-E207 HydrophobicContact CZ-CB 3.9Å; F109-E207 HydrophobicContact CZ-CG 3.93Å; F109-I208 HydrophobicContact CB-CD1 3.78Å; F109-I208 HydrophobicContact CB-CG1 3.81Å; F109-I211 HydrophobicContact CD2-CD1 3.85Å; F109-I211 HydrophobicContact CE2-CD1 3.93Å
110	M	97.5	Very high	96.7	Very high	15 Å²	15	41.8 Å²	41.8	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-37.6	174.4	-82.8	-52	-70.5	0	0	112.7	R106 E107 Y112 L113 T114 L126 P127 I208	R106-M110 WeakPolarHBondContact O-CB 3.4Å; R106-M110 PolarHBondContact O-N 3.5Å; E107-M110 PolarHBondContact O-N 2.76Å; M110-Y112 VanDerWaalsContact C-N 3.32Å; M110-L113 PolarHBondContact O-N 3.26Å; M110-L113 HydrophobicContact SD-CD1 4.36Å; M110-T114 VanDerWaalsContact O-CB 3.25Å; M110-T114 WeakPolarHBondContact O-CB 3.38Å; M110-T114 PolarHBondContact O-N 3.27Å; M110-T114 PolarHBondContact O-OG1 3.45Å; M110-L126 HydrophobicContact CE-CD2 4.14Å; M110-P127 HydrophobicContact CE-CB 4.48Å; M110-P127 WeakPolarHBondContact CE-O 3.37Å; M110-P127 HydrophobicContact SD-CB 3.8Å; M110-P127 HydrophobicContact SD-CG 3.92Å; M110-I208 HydrophobicContact CG-CD1 4.01Å; M110-I208 HydrophobicContact SD-CD1 3.65Å
111	N	96.4	Very high	96.6	Very high	80 Å²	80	38.7 Å²	38.7	43%	0.428	19%	0.186	S	C	.	.	H	α-helix	trans	-61.5	-45.3	175.2	-71.1	-14.2	0	0	0	110.4	P82 E107 H108 T114 Q115	P82-N111 HydrophobicContact CB-CB 4.31Å; E107-N111 WeakPolarHBondContact O-CB 3.12Å; E107-N111 VanDerWaalsContact O-CG 3.22Å; E107-N111 PolarHBondContact O-N 2.97Å; H108-N111 PolarHBondContact O-N 3.39Å; N111-T114 PolarHBondContact O-N 3.04Å; N111-Q115 WeakPolarHBondContact O-CB 3.45Å; N111-Q115 PolarHBondContact O-N 2.96Å
112	Y	98.1	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.3	-55.1	173.9	173.3	-109.6	0	0	0	112.6	L79 L80 A83 H108 F109 M110 T114 Q115 C116 L197 W200 I201 S204	L79-Y112 VanDerWaalsContact O-CD2 3.22Å; L79-Y112 WeakPolarHBondContact O-CD2 3.37Å; L79-Y112 WeakPolarHBondContact O-CE2 3.49Å; L80-Y112 HydrophobicContact CD2-CE2 4.28Å; A83-Y112 HydrophobicContact CB-CD1 3.95Å; A83-Y112 HydrophobicContact CB-CD2 3.77Å; A83-Y112 HydrophobicContact CB-CE1 4.25Å; A83-Y112 HydrophobicContact CB-CE2 4.08Å; A83-Y112 HydrophobicContact CB-CG 3.69Å; H108-Y112 PolarHBondContact O-N 2.97Å; F109-Y112 WeakPolarHBondContact O-CB 3.3Å; F109-Y112 PolarHBondContact O-N 3.36Å; M110-Y112 VanDerWaalsContact C-N 3.32Å; Y112-T114 VanDerWaalsContact C-N 3.31Å; Y112-T114 PolarHBondContact O-N 3.01Å; Y112-Q115 WeakPolarHBondContact O-CB 3.43Å; Y112-Q115 PolarHBondContact O-N 3.4Å; Y112-Q115 VanDerWaalsContact O-N 3.17Å; Y112-C116 WeakPolarHBondContact CE2-SG 3.27Å; Y112-C116 PolarHBondContact O-N 2.94Å; Y112-L197 HydrophobicContact CE2-CD2 4.13Å; Y112-L197 WeakPolarHBondContact OH-CA 3.5Å; Y112-L197 PolarHBondContact OH-O 3.32Å; Y112-W200 VanDerWaalsContact CE1-C 3.43Å; Y112-W200 HydrophobicContact CE1-CB 3.88Å; Y112-W200 WeakPolarHBondContact CE1-O 3.23Å; Y112-W200 HydrophobicContact CE2-CB 4.5Å; Y112-W200 WeakPolarHBondContact OH-CB 3.42Å; Y112-I201 HydrophobicContact CE1-CG1 3.96Å; Y112-I201 PolarHBondContact OH-N 3.39Å; Y112-S204 VanDerWaalsContact CD1-OG 3.23Å; Y112-S204 WeakPolarHBondContact CD1-OG 3.48Å
113	L	97.5	Very high	96	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-39.9	-178.9	-71	178.2	0	0	0	111.9	F109 M110 Q115 C116 H117 F124 L126 P127 I201 L205 I208	F109-L113 WeakPolarHBondContact O-CB 3.36Å; F109-L113 WeakPolarHBondContact O-CG 3.36Å; F109-L113 PolarHBondContact O-N 2.95Å; M110-L113 PolarHBondContact O-N 3.26Å; M110-L113 HydrophobicContact SD-CD1 4.36Å; L113-Q115 VanDerWaalsContact C-N 3.3Å; L113-Q115 PolarHBondContact O-N 3.37Å; L113-C116 PolarHBondContact O-N 2.68Å; L113-H117 VanDerWaalsContact O-CB 3.28Å; L113-H117 WeakPolarHBondContact O-CB 3.06Å; L113-H117 PolarHBondContact O-N 3.45Å; L113-F124 HydrophobicContact CB-CE2 4.07Å; L113-F124 HydrophobicContact CB-CZ 4.33Å; L113-F124 HydrophobicContact CD2-CD2 4.49Å; L113-F124 HydrophobicContact CD2-CE2 3.79Å; L113-F124 HydrophobicContact CD2-CZ 4.06Å; L113-F124 HydrophobicContact CG-CE2 4.4Å; L113-F124 WeakPolarHBondContact O-CZ 3.48Å; L113-L126 HydrophobicContact CB-CD2 3.8Å; L113-P127 HydrophobicContact CD1-CG 3.91Å; L113-I201 HydrophobicContact CD2-CB 4.24Å; L113-I201 HydrophobicContact CD2-CG1 4.24Å; L113-I201 HydrophobicContact CD2-CG2 3.94Å; L113-L205 HydrophobicContact CD1-CD2 3.73Å; L113-L205 HydrophobicContact CD1-CG 4.22Å; L113-L205 HydrophobicContact CD2-CD2 4.48Å; L113-L205 HydrophobicContact CD2-CG 4.29Å; L113-I208 HydrophobicContact CD1-CD1 3.57Å
114	T	95.6	Very high	95.7	Very high	44 Å²	44	47.2 Å²	47.2	27%	0.27	23%	0.23	S	C	.	.	H	α-helix	trans	-60.7	-44.1	177.2	-57.8	0	0	0	0	110.4	M110 N111 Y112 H117 C118	M110-T114 VanDerWaalsContact O-CB 3.25Å; M110-T114 WeakPolarHBondContact O-CB 3.38Å; M110-T114 PolarHBondContact O-N 3.27Å; M110-T114 PolarHBondContact O-OG1 3.45Å; N111-T114 PolarHBondContact O-N 3.04Å; Y112-T114 VanDerWaalsContact C-N 3.31Å; Y112-T114 PolarHBondContact O-N 3.01Å; T114-H117 PolarHBondContact O-N 3.3Å; T114-C118 PolarHBondContact O-N 3.42Å; T114-C118 PolarHBondContact O-SG 2.9Å; T114-C118 VanDerWaalsContact O-SG 3.35Å
115	Q	94.4	Very high	95.3	Very high	42 Å²	42	52 Å²	52	20%	0.196	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-47.9	177.9	-160	72.4	-12.7	0	0	111.3	F62 L79 N111 Y112 L113 H117 C118 Y119	F62-Q115 VanDerWaalsContact CB-NE2 3.26Å; L79-Q115 HydrophobicContact CD2-CG 3.64Å; N111-Q115 WeakPolarHBondContact O-CB 3.45Å; N111-Q115 PolarHBondContact O-N 2.96Å; Y112-Q115 WeakPolarHBondContact O-CB 3.43Å; Y112-Q115 PolarHBondContact O-N 3.4Å; Y112-Q115 VanDerWaalsContact O-N 3.17Å; L113-Q115 VanDerWaalsContact C-N 3.3Å; L113-Q115 PolarHBondContact O-N 3.37Å; Q115-H117 VanDerWaalsContact C-N 3.26Å; Q115-H117 PolarHBondContact O-N 3.07Å; Q115-C118 PolarHBondContact O-N 3.21Å; Q115-C118 VanDerWaalsContact O-N 3.17Å; Q115-Y119 HydrophobicContact CG-CD2 4.01Å; Q115-Y119 HydrophobicContact CG-CE2 3.86Å; Q115-Y119 VanDerWaalsContact O-CD2 3.23Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.37Å; Q115-Y119 PolarHBondContact O-N 3.41Å; Q115-Y119 VanDerWaalsContact O-N 3.09Å
116	C	95.8	Very high	95	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-33.1	176.6	-72.2	0	0	0	0	113.4	Y112 L113 H120 V121 F124 I201	Y112-C116 WeakPolarHBondContact CE2-SG 3.27Å; Y112-C116 PolarHBondContact O-N 2.94Å; L113-C116 PolarHBondContact O-N 2.68Å; C116-H120 PolarHBondContact O-N 2.98Å; C116-H120 VanDerWaalsContact O-N 3.14Å; C116-V121 HydrophobicContact CB-CB 4.21Å; C116-V121 HydrophobicContact CB-CG2 4.08Å; C116-V121 PolarHBondContact O-N 2.92Å; C116-F124 HydrophobicContact CB-CE1 4.4Å; C116-F124 HydrophobicContact CB-CZ 4.37Å; C116-I201 HydrophobicContact CB-CD1 3.84Å; C116-I201 HydrophobicContact CB-CG1 4.02Å
117	H	94.4	Very high	94.6	Very high	80 Å²	80	54.8 Å²	54.8	37%	0.37	27%	0.274	S	S	.	.	H	α-helix	trans	-70.3	-41	174.7	-175.6	-69.1	0	0	0	111.5	L113 T114 Q115 Y119 H120 F124 L126	L113-H117 VanDerWaalsContact O-CB 3.28Å; L113-H117 WeakPolarHBondContact O-CB 3.06Å; L113-H117 PolarHBondContact O-N 3.45Å; T114-H117 PolarHBondContact O-N 3.3Å; Q115-H117 VanDerWaalsContact C-N 3.26Å; Q115-H117 PolarHBondContact O-N 3.07Å; H117-Y119 VanDerWaalsContact C-N 3.29Å; H117-Y119 PolarHBondContact O-N 2.98Å; H117-H120 PolarHBondContact O-N 3.43Å; H117-F124 HydrophobicContact CB-CE1 4.38Å; H117-F124 HydrophobicContact CB-CZ 3.86Å; H117-L126 HydrophobicContact CB-CD1 3.87Å; H117-L126 HydrophobicContact CB-CD2 4.27Å; H117-L126 HydrophobicContact CB-CG 4.1Å
118	C	93	Very high	94	Very high	39 Å²	39	56.5 Å²	56.5	26%	0.264	28%	0.28	S	S	.	.	H	α-helix	trans	-60.3	-40	175	-72.3	0	0	0	0	112	T114 Q115 H120	T114-C118 PolarHBondContact O-N 3.42Å; T114-C118 PolarHBondContact O-SG 2.9Å; T114-C118 VanDerWaalsContact O-SG 3.35Å; Q115-C118 PolarHBondContact O-N 3.21Å; Q115-C118 VanDerWaalsContact O-N 3.17Å; C118-H120 VanDerWaalsContact C-N 3.32Å; C118-H120 PolarHBondContact O-CE1 3.49Å; C118-H120 PolarHBondContact O-N 3.48Å; C118-H120 PolarHBondContact O-ND1 3.43Å; C118-H120 VanDerWaalsContact O-ND1 3.14Å
119	Y	94.8	Very high	92.7	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	6.1	177.9	-71.8	-67	0	0	0	114.8	F62 S63 E66 L68 I71 L79 Q115 H117 V121	F62-Y119 WeakPolarHBondContact CA-OH 3.43Å; F62-Y119 HydrophobicContact CB-CE2 4.22Å; F62-Y119 VanDerWaalsContact CB-OH 3.24Å; F62-Y119 WeakPolarHBondContact CB-OH 3.25Å; F62-Y119 HydrophobicContact CD1-CE2 4.49Å; S63-Y119 PolarHBondContact N-OH 2.68Å; S63-Y119 PolarHBondContact O-OH 3.12Å; E66-Y119 HydrophobicContact CB-CE1 3.75Å; E66-Y119 VanDerWaalsContact O-CD1 3.27Å; E66-Y119 WeakPolarHBondContact O-CD1 3.39Å; E66-Y119 VanDerWaalsContact O-CE1 3.32Å; E66-Y119 WeakPolarHBondContact O-CE1 3.4Å; E66-Y119 PolarHBondContact OE2-OH 3.38Å; L68-Y119 HydrophobicContact CD1-CG 4.43Å; I71-Y119 HydrophobicContact CD1-CD1 4.04Å; I71-Y119 HydrophobicContact CD1-CE1 3.72Å; I71-Y119 HydrophobicContact CD1-CE2 4.28Å; I71-Y119 HydrophobicContact CD1-CG 4.45Å; I71-Y119 HydrophobicContact CG1-CE1 4.31Å; L79-Y119 HydrophobicContact CD2-CD2 4.2Å; L79-Y119 HydrophobicContact CD2-CE2 4.01Å; Q115-Y119 HydrophobicContact CG-CD2 4.01Å; Q115-Y119 HydrophobicContact CG-CE2 3.86Å; Q115-Y119 VanDerWaalsContact O-CD2 3.23Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.37Å; Q115-Y119 PolarHBondContact O-N 3.41Å; Q115-Y119 VanDerWaalsContact O-N 3.09Å; H117-Y119 VanDerWaalsContact C-N 3.29Å; H117-Y119 PolarHBondContact O-N 2.98Å; Y119-V121 PolarHBondContact O-N 3.44Å; Y119-V121 VanDerWaalsContact O-N 3.1Å
120	H	93.5	Very high	90.9	Very high	145 Å²	145	64.8 Å²	64.8	67%	0.671	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	36.8	178.5	-55.1	87.8	0	0	0	114.6	C116 H117 C118 A122	C116-H120 PolarHBondContact O-N 2.98Å; C116-H120 VanDerWaalsContact O-N 3.14Å; H117-H120 PolarHBondContact O-N 3.43Å; C118-H120 VanDerWaalsContact C-N 3.32Å; C118-H120 PolarHBondContact O-CE1 3.49Å; C118-H120 PolarHBondContact O-N 3.48Å; C118-H120 PolarHBondContact O-ND1 3.43Å; C118-H120 VanDerWaalsContact O-ND1 3.14Å; H120-A122 PolarHBondContact O-N 3.05Å
121	V	93.6	Very high	88.3	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.024	36%	0.356	C	S	.	.			trans	-59.4	-34.8	-178.2	174.9	0	0	0	0	112.3	L68 C116 Y119 L197 Q198 I201	L68-V121 HydrophobicContact CD1-CG2 4.02Å; L68-V121 HydrophobicContact CD2-CG2 4.15Å; C116-V121 HydrophobicContact CB-CB 4.21Å; C116-V121 HydrophobicContact CB-CG2 4.08Å; C116-V121 PolarHBondContact O-N 2.92Å; Y119-V121 PolarHBondContact O-N 3.44Å; Y119-V121 VanDerWaalsContact O-N 3.1Å; V121-L197 HydrophobicContact CG1-CB 3.62Å; V121-L197 HydrophobicContact CG1-CD1 4.39Å; V121-L197 HydrophobicContact CG2-CD1 4.36Å; V121-Q198 HydrophobicContact CG1-CG 4.18Å; V121-Q198 PolarHBondContact O-NE2 3.43Å; V121-I201 HydrophobicContact CB-CD1 4.03Å; V121-I201 HydrophobicContact CG1-CD1 3.77Å
122	A	92.1	Very high	85.5	Confident	32 Å²	32	74.5 Å²	74.5	26%	0.264	38%	0.375	S	S	.	.	S	Bend	trans	-156.1	160.4	175.3	0	0	0	0	0	110.1	H120 F124 Q198 I201	H120-A122 PolarHBondContact O-N 3.05Å; A122-F124 HydrophobicContact CB-CD1 4.33Å; A122-F124 VanDerWaalsContact O-CD1 3.3Å; A122-F124 WeakPolarHBondContact O-CD1 3.33Å; A122-F124 PolarHBondContact O-N 3.16Å; A122-Q198 HydrophobicContact CB-CG 4.34Å; A122-I201 HydrophobicContact CB-CD1 3.94Å
123	E	91.6	Very high	82.7	Confident	204 Å²	204	77.7 Å²	77.7	95%	0.953	40%	0.398	S	S	*	.			trans	-81.4	109.9	171.2	-66.6	-179.3	-174.4	0	0	110
124	F	91.4	Very high	80	Confident	34 Å²	34	82.5 Å²	82.5	15%	0.149	44%	0.437	C	S	.	.			trans	-153.1	161.9	174.4	68.9	-82.7	0	0	0	111.5	L113 C116 H117 A122 L126 I201 L205	L113-F124 HydrophobicContact CB-CE2 4.07Å; L113-F124 HydrophobicContact CB-CZ 4.33Å; L113-F124 HydrophobicContact CD2-CD2 4.49Å; L113-F124 HydrophobicContact CD2-CE2 3.79Å; L113-F124 HydrophobicContact CD2-CZ 4.06Å; L113-F124 HydrophobicContact CG-CE2 4.4Å; L113-F124 WeakPolarHBondContact O-CZ 3.48Å; C116-F124 HydrophobicContact CB-CE1 4.4Å; C116-F124 HydrophobicContact CB-CZ 4.37Å; H117-F124 HydrophobicContact CB-CE1 4.38Å; H117-F124 HydrophobicContact CB-CZ 3.86Å; A122-F124 HydrophobicContact CB-CD1 4.33Å; A122-F124 VanDerWaalsContact O-CD1 3.3Å; A122-F124 WeakPolarHBondContact O-CD1 3.33Å; A122-F124 PolarHBondContact O-N 3.16Å; F124-L126 HydrophobicContact CE2-CD2 4.04Å; F124-L126 HydrophobicContact CE2-CG 4.31Å; F124-I201 HydrophobicContact CB-CG2 4.43Å; F124-I201 HydrophobicContact CD1-CD1 4.24Å; F124-I201 HydrophobicContact CD1-CG2 3.75Å; F124-I201 HydrophobicContact CD2-CG2 4.2Å; F124-I201 HydrophobicContact CE1-CD1 3.85Å; F124-I201 HydrophobicContact CE1-CG1 4.29Å; F124-I201 HydrophobicContact CE1-CG2 4Å; F124-I201 HydrophobicContact CE2-CG2 4.43Å; F124-I201 HydrophobicContact CG-CG2 3.86Å; F124-I201 HydrophobicContact CZ-CG2 4.32Å; F124-L205 HydrophobicContact CB-CD1 4.31Å; F124-L205 HydrophobicContact CD2-CD1 4.28Å; F124-L205 HydrophobicContact CD2-CD2 4.38Å
125	E	91	Very high	77.3	Confident	179 Å²	179	88.7 Å²	88.7	84%	0.836	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-91.2	130.1	175.8	-65.7	-176.6	-178.1	0	0	111	P127	E125-P127 WeakPolarHBondContact O-CD 3.36Å
126	L	91.1	Very high	74.6	Confident	62 Å²	62	92.4 Å²	92.4	33%	0.325	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-67.9	129.4	174.2	-82.8	165.4	0	0	0	111.1	M110 L113 H117 F124	M110-L126 HydrophobicContact CE-CD2 4.14Å; L113-L126 HydrophobicContact CB-CD2 3.8Å; H117-L126 HydrophobicContact CB-CD1 3.87Å; H117-L126 HydrophobicContact CB-CD2 4.27Å; H117-L126 HydrophobicContact CB-CG 4.1Å; F124-L126 HydrophobicContact CE2-CD2 4.04Å; F124-L126 HydrophobicContact CE2-CG 4.31Å
127	P	89.7	Confident	71.8	Confident	27 Å²	27	102 Å²	102	18%	0.175	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-58.5	145.1	173.1	-24.7	34.1	0	0	0	112.2	M110 L113 E125 T129 L205 I208	M110-P127 HydrophobicContact CE-CB 4.48Å; M110-P127 WeakPolarHBondContact CE-O 3.37Å; M110-P127 HydrophobicContact SD-CB 3.8Å; M110-P127 HydrophobicContact SD-CG 3.92Å; L113-P127 HydrophobicContact CD1-CG 3.91Å; E125-P127 WeakPolarHBondContact O-CD 3.36Å; P127-T129 PolarHBondContact O-N 3.32Å; P127-L205 HydrophobicContact CG-CD2 3.62Å; P127-I208 HydrophobicContact CB-CD1 4.47Å; P127-I208 HydrophobicContact CB-CG2 3.92Å; P127-I208 HydrophobicContact CG-CD1 3.97Å; P127-I208 HydrophobicContact CG-CG2 4.17Å
128	K	85.3	Confident	69	Low	157 Å²	157	103.4 Å²	103.4	68%	0.683	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-64.1	129	-176.2	-63.3	178.2	-178.3	177.6	0	111.6	R106	R106-K128 PolarHBondContact NH2-O 3.26Å
129	T	70.7	Confident	66.3	Low	88 Å²	88	105.3 Å²	105.3	54%	0.54	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-76.7	122.1	167.2	-44.9	0	0	0	0	108.5	P127 N131 N132	P127-T129 PolarHBondContact O-N 3.32Å; T129-N131 PolarHBondContact O-N 3.39Å; T129-N132 PolarHBondContact O-N 2.91Å
130	K	61.6	Low	63.8	Low	127 Å²	127	113.3 Å²	113.3	55%	0.552	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	-12.7	-175.2	-95.8	169.4	176	143.6	0	115.4	D212	K130-D212 IonicContact NZ-OD1 2.77Å; K130-D212 PolarHBondContact NZ-OD1 2.97Å
131	N	43.2	Very low	61.3	Low	144 Å²	144	111.7 Å²	111.7	77%	0.77	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-5.4	-175.1	-70.7	-1.9	0	0	0	116.1	T129	T129-N131 PolarHBondContact O-N 3.39Å
132	N	37.3	Very low	58.8	Low	156 Å²	156	115.8 Å²	115.8	83%	0.834	64%	0.638	S	S	*	*	S	Bend	trans	-132.1	59.8	177.5	-79	-19.2	0	0	0	112.7	T129	T129-N132 PolarHBondContact O-N 2.91Å
133	S	38.4	Very low	56.3	Low	67 Å²	67	123.6 Å²	123.6	47%	0.469	67%	0.672	S	S	.	*			trans	-153.5	65.8	157.5	53.7	0	0	0	0	111.5
134	A	40.9	Very low	54.4	Low	101 Å²	101	117.2 Å²	117.2	84%	0.835	65%	0.653	S	S	*	*	S	Bend	trans	-67.3	128.6	134.1	0	0	0	0	0	105.4
135	E	40.3	Very low	52.6	Low	174 Å²	174	126.3 Å²	126.3	81%	0.813	69%	0.688	S	S	*	*			trans	81.8	78.2	-168.4	-54.1	-177.3	167.7	0	0	114.7
136	N	35.9	Very low	51.1	Low	120 Å²	120	121.8 Å²	121.8	64%	0.642	68%	0.675	S	S	*	*				-162.1	74.7	122.7	-88.6	-51.2	0	0	0	107.8	T138	N136-T138 PolarHBondContact O-N 3.31Å; N136-T138 PolarHBondContact OD1-OG1 3Å
137	H	38.7	Very low	50.7	Low	201 Å²	201	122.3 Å²	122.3	93%	0.931	68%	0.683	S	S	*	*			trans	-69.2	63.1	148.2	-77.3	-68.3	0	0	0	108.1	A139	H137-A139 VanDerWaalsContact C-N 3.28Å; H137-A139 PolarHBondContact O-N 3.44Å; H137-A139 VanDerWaalsContact O-N 3.08Å
138	T	35.5	Very low	50.2	Low	110 Å²	110	127.7 Å²	127.7	68%	0.675	71%	0.71	S	S	*	*			trans	-81.6	93.9	166.5	-50.2	0	0	0	0	105.4	N136	N136-T138 PolarHBondContact O-N 3.31Å; N136-T138 PolarHBondContact OD1-OG1 3Å
139	A	35.8	Very low	50.1	Low	78 Å²	78	125 Å²	125	65%	0.645	71%	0.707	S	S	*	*			trans	3.5	122.7	164.3	0	0	0	0	0	115.3	H137 S141	H137-A139 VanDerWaalsContact C-N 3.28Å; H137-A139 PolarHBondContact O-N 3.44Å; H137-A139 VanDerWaalsContact O-N 3.08Å; A139-S141 VanDerWaalsContact C-N 3.3Å; A139-S141 PolarHBondContact O-N 3.41Å
140	N	42.8	Very low	50.7	Low	170 Å²	170	123.3 Å²	123.3	91%	0.909	70%	0.701	S	S	*	*			trans	-32.1	98.1	146.1	-72.5	-13.5	0	0	0	109.5	S142	N140-S142 PolarHBondContact O-N 3.38Å
141	S	41.1	Very low	51.7	Low	111 Å²	111	121.3 Å²	121.3	78%	0.776	70%	0.695	S	S	*	*			trans	-73.5	118.9	170	-170.6	0	0	0	0	106.1	A139	A139-S141 VanDerWaalsContact C-N 3.3Å; A139-S141 PolarHBondContact O-N 3.41Å
142	S	40.4	Very low	53.7	Low	89 Å²	89	117.2 Å²	117.2	62%	0.622	68%	0.681	S	S	*	*			trans	-29.6	146.7	174.4	53.5	0	0	0	0	114.5	N140 A144	N140-S142 PolarHBondContact O-N 3.38Å; S142-A144 PolarHBondContact O-N 3.08Å
143	M	40.6	Very low	56.1	Low	197 Å²	197	113.3 Å²	113.3	97%	0.97	67%	0.666	S	S	*	*			trans	-52.4	81	154.6	-78.1	-176.9	-107.2	0	0	110.3
144	A	50.2	Low	58.1	Low	69 Å²	69	117 Å²	117	57%	0.57	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-101.6	117.6	159.9	0	0	0	0	0	104.9	S142 P146	S142-A144 PolarHBondContact O-N 3.08Å; A144-P146 VanDerWaalsContact O-N 3.15Å
145	Y	54.4	Low	60.4	Low	226 Å²	226	121 Å²	121	89%	0.886	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-46.2	124.8	173	-69.7	-87.3	0	0	0	108.9	S147	Y145-S147 PolarHBondContact O-N 3Å
146	P	59.9	Low	62.7	Low	84 Å²	84	116.9 Å²	116.9	55%	0.545	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-54.8	121.1	177.6	-25.1	33.6	0	0	0	108.6	A144 L148 M151	A144-P146 VanDerWaalsContact O-N 3.15Å; P146-L148 PolarHBondContact O-N 3Å; P146-M151 HydrophobicContact CB-CG 3.69Å; P146-M151 HydrophobicContact CB-SD 4.35Å
147	S	81.9	Confident	64.8	Low	73 Å²	73	113 Å²	113	51%	0.51	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-49.9	140.3	173.6	171.5	0	0	0	0	109.1	Y145 V149 A150 M151	Y145-S147 PolarHBondContact O-N 3Å; S147-V149 PolarHBondContact O-N 2.93Å; S147-V149 PolarHBondContact OG-N 2.93Å; S147-A150 WeakPolarHBondContact O-CA 3.34Å; S147-A150 WeakPolarHBondContact O-CB 3.35Å; S147-A150 PolarHBondContact O-N 2.93Å; S147-M151 PolarHBondContact O-N 3.38Å
148	L	79.3	Confident	67	Low	140 Å²	140	111.3 Å²	111.3	73%	0.733	63%	0.625	S	S	*	*	H	α-helix	trans	-51.3	-32.2	177.9	-161.6	80.4	0	0	0	111.5	P146 M151 A152	P146-L148 PolarHBondContact O-N 3Å; L148-M151 HydrophobicContact CD1-CE 3.67Å; L148-A152 WeakPolarHBondContact O-CB 3.49Å; L148-A152 PolarHBondContact O-N 3.06Å
149	V	84.1	Confident	69.5	Low	101 Å²	101	108.8 Å²	108.8	61%	0.612	61%	0.606	S	S	*	*	H	α-helix	trans	-66.2	-46.1	173.7	-179	0	0	0	0	111.7	S147 M151 A152 S153	S147-V149 PolarHBondContact O-N 2.93Å; S147-V149 PolarHBondContact OG-N 2.93Å; V149-M151 VanDerWaalsContact C-N 3.32Å; V149-M151 PolarHBondContact O-N 2.87Å; V149-A152 PolarHBondContact O-N 3.02Å; V149-S153 WeakPolarHBondContact O-CB 3.39Å; V149-S153 PolarHBondContact O-N 3.4Å; V149-S153 PolarHBondContact O-OG 3.04Å; V149-S153 VanDerWaalsContact O-OG 3.09Å
150	A	83.2	Confident	71.9	Confident	51 Å²	51	109.5 Å²	109.5	42%	0.421	60%	0.597	S	S	.	*	H	α-helix	trans	-63.1	-39.5	177.1	0	0	0	0	0	111.6	S147 S153 Q154	S147-A150 WeakPolarHBondContact O-CA 3.34Å; S147-A150 WeakPolarHBondContact O-CB 3.35Å; S147-A150 PolarHBondContact O-N 2.93Å; A150-S153 PolarHBondContact O-N 3Å; A150-Q154 WeakPolarHBondContact O-CB 3.4Å; A150-Q154 PolarHBondContact O-N 2.99Å
151	M	81.8	Confident	73.8	Confident	86 Å²	86	110 Å²	110	42%	0.424	59%	0.585	S	S	.	*	H	α-helix	trans	-66.3	-41.3	174.2	-62.4	-163.5	-54.9	0	0	112.2	P146 S147 L148 V149 Q154 R155	P146-M151 HydrophobicContact CB-CG 3.69Å; P146-M151 HydrophobicContact CB-SD 4.35Å; S147-M151 PolarHBondContact O-N 3.38Å; L148-M151 HydrophobicContact CD1-CE 3.67Å; V149-M151 VanDerWaalsContact C-N 3.32Å; V149-M151 PolarHBondContact O-N 2.87Å; M151-Q154 PolarHBondContact O-N 3.39Å; M151-R155 WeakPolarHBondContact O-CB 3.48Å; M151-R155 PolarHBondContact O-N 2.97Å
152	A	86.3	Confident	76	Confident	58 Å²	58	111.5 Å²	111.5	48%	0.479	58%	0.575	S	S	.	*	H	α-helix	trans	-63.2	-45	176.1	0	0	0	0	0	111.4	L148 V149 R155 Q156	L148-A152 WeakPolarHBondContact O-CB 3.49Å; L148-A152 PolarHBondContact O-N 3.06Å; V149-A152 PolarHBondContact O-N 3.02Å; A152-R155 PolarHBondContact O-N 3.46Å; A152-Q156 VanDerWaalsContact O-CB 3.29Å; A152-Q156 WeakPolarHBondContact O-CB 3.3Å; A152-Q156 PolarHBondContact O-N 2.72Å
153	S	85.8	Confident	78.4	Confident	73 Å²	73	113.7 Å²	113.7	51%	0.51	57%	0.573	S	S	.	*	H	α-helix	trans	-62.4	-43.6	175.3	-62.8	0	0	0	0	112.2	V149 A150 R155 Q156 A157	V149-S153 WeakPolarHBondContact O-CB 3.39Å; V149-S153 PolarHBondContact O-N 3.4Å; V149-S153 PolarHBondContact O-OG 3.04Å; V149-S153 VanDerWaalsContact O-OG 3.09Å; A150-S153 PolarHBondContact O-N 3Å; S153-R155 PolarHBondContact O-N 3.29Å; S153-Q156 PolarHBondContact O-N 3.44Å; S153-A157 WeakPolarHBondContact O-CB 3.34Å; S153-A157 PolarHBondContact O-N 2.95Å
154	Q	82.3	Confident	80.6	Confident	145 Å²	145	110.1 Å²	110.1	68%	0.678	55%	0.554	S	S	*	*	H	α-helix	trans	-63.5	-42.8	177.1	-172.5	-178.3	18.1	0	0	111.8	A150 M151 K158	A150-Q154 WeakPolarHBondContact O-CB 3.4Å; A150-Q154 PolarHBondContact O-N 2.99Å; M151-Q154 PolarHBondContact O-N 3.39Å; Q154-K158 PolarHBondContact O-N 3.04Å; Q154-K158 VanDerWaalsContact O-N 3.16Å
155	R	87.7	Confident	82.4	Confident	185 Å²	185	109.4 Å²	109.4	70%	0.698	54%	0.539	S	S	*	.	H	α-helix	trans	-61.8	-45.6	174.3	-179.9	-177.7	175.7	-173	-1	111	M151 A152 S153 K158 I159	M151-R155 WeakPolarHBondContact O-CB 3.48Å; M151-R155 PolarHBondContact O-N 2.97Å; A152-R155 PolarHBondContact O-N 3.46Å; S153-R155 PolarHBondContact O-N 3.29Å; R155-K158 PolarHBondContact O-N 3.06Å; R155-I159 HydrophobicContact CG-CD1 3.98Å; R155-I159 WeakPolarHBondContact O-CG1 3.11Å; R155-I159 PolarHBondContact O-N 3.41Å
156	Q	88.7	Confident	84.2	Confident	87 Å²	87	104.6 Å²	104.6	41%	0.407	52%	0.522	S	S	.	.	H	α-helix	trans	-62.4	-46	-179	-175.6	59.7	29.6	0	0	111.5	A152 S153 K158 I159 E160	A152-Q156 VanDerWaalsContact O-CB 3.29Å; A152-Q156 WeakPolarHBondContact O-CB 3.3Å; A152-Q156 PolarHBondContact O-N 2.72Å; S153-Q156 PolarHBondContact O-N 3.44Å; Q156-K158 VanDerWaalsContact C-N 3.29Å; Q156-K158 PolarHBondContact O-N 3.08Å; Q156-I159 WeakPolarHBondContact O-CB 3.36Å; Q156-I159 PolarHBondContact O-N 3.12Å; Q156-I159 VanDerWaalsContact O-N 3.09Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.45Å; Q156-E160 PolarHBondContact NE2-OE1 3.06Å; Q156-E160 WeakPolarHBondContact O-CG 3.37Å; Q156-E160 PolarHBondContact O-N 2.84Å
157	A	81.5	Confident	85.7	Confident	40 Å²	40	104.5 Å²	104.5	33%	0.331	52%	0.515	S	S	.	.	H	α-helix	trans	-58.8	-39.4	175.6	0	0	0	0	0	112.3	S153 E160 R161	S153-A157 WeakPolarHBondContact O-CB 3.34Å; S153-A157 PolarHBondContact O-N 2.95Å; A157-E160 PolarHBondContact O-N 3.31Å; A157-R161 WeakPolarHBondContact O-CG 3.31Å; A157-R161 PolarHBondContact O-N 2.77Å
158	K	83.8	Confident	86.2	Confident	164 Å²	164	102.2 Å²	102.2	71%	0.713	50%	0.497	S	S	*	.	H	α-helix	trans	-66.5	-38.9	175.6	-170.6	171.1	-177	171.9	0	112.5	Q154 R155 Q156 Y162	Q154-K158 PolarHBondContact O-N 3.04Å; Q154-K158 VanDerWaalsContact O-N 3.16Å; R155-K158 PolarHBondContact O-N 3.06Å; Q156-K158 VanDerWaalsContact C-N 3.29Å; Q156-K158 PolarHBondContact O-N 3.08Å; K158-Y162 WeakPolarHBondContact O-CB 3.41Å; K158-Y162 PolarHBondContact O-N 2.85Å
159	I	87.9	Confident	86.8	Confident	57 Å²	57	99.4 Å²	99.4	29%	0.292	48%	0.479	S	S	.	.	H	α-helix	trans	-64.7	-43.1	175.4	-68.5	166.6	0	0	0	110.4	R155 Q156 Y162 K163	R155-I159 HydrophobicContact CG-CD1 3.98Å; R155-I159 WeakPolarHBondContact O-CG1 3.11Å; R155-I159 PolarHBondContact O-N 3.41Å; Q156-I159 WeakPolarHBondContact O-CB 3.36Å; Q156-I159 PolarHBondContact O-N 3.12Å; Q156-I159 VanDerWaalsContact O-N 3.09Å; I159-Y162 PolarHBondContact O-N 3.33Å; I159-K163 HydrophobicContact CG2-CD 4.18Å; I159-K163 HydrophobicContact CG2-CG 4.49Å; I159-K163 WeakPolarHBondContact O-CG 3.4Å; I159-K163 PolarHBondContact O-N 3.17Å
160	E	86.6	Confident	87.3	Confident	94 Å²	94	100.3 Å²	100.3	44%	0.439	48%	0.477	S	S	.	.	H	α-helix	trans	-64.1	-47.9	179	-75.4	167.1	-171.1	0	0	111.8	Q156 A157 Y162 K163 Q164	Q156-E160 WeakPolarHBondContact CG-OE1 3.45Å; Q156-E160 PolarHBondContact NE2-OE1 3.06Å; Q156-E160 WeakPolarHBondContact O-CG 3.37Å; Q156-E160 PolarHBondContact O-N 2.84Å; A157-E160 PolarHBondContact O-N 3.31Å; E160-Y162 VanDerWaalsContact C-N 3.32Å; E160-Y162 PolarHBondContact O-N 3.39Å; E160-K163 WeakPolarHBondContact O-CB 3.35Å; E160-K163 PolarHBondContact O-N 2.98Å; E160-K163 VanDerWaalsContact O-N 3.13Å; E160-Q164 WeakPolarHBondContact O-CG 3.46Å; E160-Q164 PolarHBondContact O-N 3.38Å
161	R	82.7	Confident	87.8	Confident	179 Å²	179	103.2 Å²	103.2	68%	0.675	48%	0.477	S	S	*	.	H	α-helix	trans	-57.2	-44.9	173.8	-73.3	-178.4	-175.3	-176.5	-0.4	112.2	A157 K163 Q164 K165	A157-R161 WeakPolarHBondContact O-CG 3.31Å; A157-R161 PolarHBondContact O-N 2.77Å; R161-K163 VanDerWaalsContact C-N 3.34Å; R161-K163 PolarHBondContact O-N 2.96Å; R161-Q164 PolarHBondContact O-N 2.87Å; R161-K165 WeakPolarHBondContact O-CB 3.48Å; R161-K165 PolarHBondContact O-N 3.2Å
162	Y	87.1	Confident	88.4	Confident	144 Å²	144	99.7 Å²	99.7	57%	0.565	46%	0.46	S	S	*	.	H	α-helix	trans	-62.2	-41	176.8	178.8	-98.1	0	0	0	112.3	K158 I159 E160 K166	K158-Y162 WeakPolarHBondContact O-CB 3.41Å; K158-Y162 PolarHBondContact O-N 2.85Å; I159-Y162 PolarHBondContact O-N 3.33Å; E160-Y162 VanDerWaalsContact C-N 3.32Å; E160-Y162 PolarHBondContact O-N 3.39Å; Y162-K166 HydrophobicContact CE1-CD 4.35Å; Y162-K166 WeakPolarHBondContact O-CB 3.15Å; Y162-K166 PolarHBondContact O-N 2.99Å
163	K	90.9	Very high	88.8	Confident	134 Å²	134	100.8 Å²	100.8	58%	0.583	46%	0.464	S	S	*	.	H	α-helix	trans	-64.3	-43.1	175.6	-76	177.1	178.9	-177.8	0	111.9	I159 E160 R161 K166 E167	I159-K163 HydrophobicContact CG2-CD 4.18Å; I159-K163 HydrophobicContact CG2-CG 4.49Å; I159-K163 WeakPolarHBondContact O-CG 3.4Å; I159-K163 PolarHBondContact O-N 3.17Å; E160-K163 WeakPolarHBondContact O-CB 3.35Å; E160-K163 PolarHBondContact O-N 2.98Å; E160-K163 VanDerWaalsContact O-N 3.13Å; R161-K163 VanDerWaalsContact C-N 3.34Å; R161-K163 PolarHBondContact O-N 2.96Å; K163-K166 PolarHBondContact O-N 3.42Å; K163-E167 WeakPolarHBondContact O-CB 3.3Å; K163-E167 PolarHBondContact O-N 3.06Å
164	Q	87.1	Confident	89.2	Confident	122 Å²	122	100.7 Å²	100.7	57%	0.57	47%	0.467	S	S	*	.	H	α-helix	trans	-61.6	-50	176.7	-73.7	173.6	-23.8	0	0	111.2	E160 R161 K166 E167 L168	E160-Q164 WeakPolarHBondContact O-CG 3.46Å; E160-Q164 PolarHBondContact O-N 3.38Å; R161-Q164 PolarHBondContact O-N 2.87Å; Q164-K166 VanDerWaalsContact C-N 3.31Å; Q164-K166 PolarHBondContact O-N 3.42Å; Q164-E167 PolarHBondContact O-N 2.9Å; Q164-L168 WeakPolarHBondContact O-CG 3.39Å; Q164-L168 PolarHBondContact O-N 3.36Å
165	K	88.5	Confident	89.8	Confident	55 Å²	55	95.1 Å²	95.1	24%	0.239	44%	0.441	C	S	.	.	H	α-helix	trans	-55	-46	175.5	-174.3	172.3	-174.3	166.7	0	111.9	R161 L168 E169 E206	R161-K165 WeakPolarHBondContact O-CB 3.48Å; R161-K165 PolarHBondContact O-N 3.2Å; K165-L168 PolarHBondContact O-N 3.46Å; K165-E169 WeakPolarHBondContact O-CG 3.32Å; K165-E169 PolarHBondContact O-N 3.16Å; K165-E206 IonicContact NZ-OE1 3.54Å; K165-E206 IonicContact NZ-OE2 2.69Å; K165-E206 PolarHBondContact NZ-OE2 3.18Å
166	K	91.5	Very high	90.1	Very high	124 Å²	124	90.5 Å²	90.5	54%	0.539	43%	0.427	S	S	.	.	H	α-helix	trans	-65.6	-40	179.4	-170.6	174.8	-176.5	175.9	0	113	Y162 K163 Q164 H170	Y162-K166 HydrophobicContact CE1-CD 4.35Å; Y162-K166 WeakPolarHBondContact O-CB 3.15Å; Y162-K166 PolarHBondContact O-N 2.99Å; K163-K166 PolarHBondContact O-N 3.42Å; Q164-K166 VanDerWaalsContact C-N 3.31Å; Q164-K166 PolarHBondContact O-N 3.42Å; K166-H170 WeakPolarHBondContact O-CB 3.45Å; K166-H170 PolarHBondContact O-N 3.44Å
167	E	92.3	Very high	90.3	Very high	83 Å²	83	90.6 Å²	90.6	39%	0.388	44%	0.437	S	S	.	.	H	α-helix	trans	-66.3	-41.8	176.2	178.5	61.7	-164	0	0	111.4	K163 Q164 H170 R171	K163-E167 WeakPolarHBondContact O-CB 3.3Å; K163-E167 PolarHBondContact O-N 3.06Å; Q164-E167 PolarHBondContact O-N 2.9Å; E167-H170 PolarHBondContact O-N 3.4Å; E167-R171 WeakPolarHBondContact O-CG 3.29Å; E167-R171 PolarHBondContact O-N 2.95Å; E167-R171 IonicContact OE1-CZ 3.31Å; E167-R171 VanDerWaalsContact OE1-CZ 3.31Å; E167-R171 IonicContact OE1-NE 2.76Å; E167-R171 PolarHBondContact OE1-NE 2.88Å; E167-R171 IonicContact OE1-NH2 2.98Å; E167-R171 PolarHBondContact OE1-NH2 3.43Å
168	L	91.1	Very high	90.9	Very high	25 Å²	25	90.5 Å²	90.5	13%	0.131	44%	0.436	C	S	.	.	H	α-helix	trans	-59.1	-48.7	174.4	-73.5	175.5	0	0	0	111.4	Q164 K165 H170 R171 L172 L195 Q198	Q164-L168 WeakPolarHBondContact O-CG 3.39Å; Q164-L168 PolarHBondContact O-N 3.36Å; K165-L168 PolarHBondContact O-N 3.46Å; L168-H170 VanDerWaalsContact C-N 3.35Å; L168-H170 PolarHBondContact O-N 2.79Å; L168-R171 PolarHBondContact O-N 3.25Å; L168-L172 WeakPolarHBondContact O-CB 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.35Å; L168-L195 HydrophobicContact CD2-CD2 3.68Å; L168-Q198 HydrophobicContact CD1-CB 4.49Å
169	E	91.9	Very high	91.3	Very high	80 Å²	80	83.3 Å²	83.3	37%	0.374	41%	0.406	S	S	.	.	H	α-helix	trans	-61.4	-42.6	177.8	-73.4	173.8	171.4	0	0	112.1	K165 L172 S173	K165-E169 WeakPolarHBondContact O-CG 3.32Å; K165-E169 PolarHBondContact O-N 3.16Å; E169-L172 PolarHBondContact O-N 2.74Å; E169-S173 WeakPolarHBondContact O-CB 3.22Å; E169-S173 PolarHBondContact O-N 2.93Å; E169-S173 PolarHBondContact O-OG 3.49Å
170	H	94.7	Very high	91.4	Very high	120 Å²	120	85.9 Å²	85.9	56%	0.556	42%	0.416	S	S	*	.	H	α-helix	trans	-59	-50.2	175.3	177.4	-96.6	0	0	0	111.7	K166 E167 L168 L172 S173 A174	K166-H170 WeakPolarHBondContact O-CB 3.45Å; K166-H170 PolarHBondContact O-N 3.44Å; E167-H170 PolarHBondContact O-N 3.4Å; L168-H170 VanDerWaalsContact C-N 3.35Å; L168-H170 PolarHBondContact O-N 2.79Å; H170-L172 PolarHBondContact O-N 2.97Å; H170-S173 PolarHBondContact O-N 3.26Å; H170-S173 PolarHBondContact O-OG 2.9Å; H170-A174 PolarHBondContact O-N 2.92Å
171	R	94.6	Very high	91.7	Very high	113 Å²	113	84.3 Å²	84.3	43%	0.426	42%	0.416	S	S	.	.	H	α-helix	trans	-61.6	-43.5	178.2	-70.6	-177.2	-169	-178.9	4.6	112.7	E167 L168 S173 A174 M175 L195	E167-R171 WeakPolarHBondContact O-CG 3.29Å; E167-R171 PolarHBondContact O-N 2.95Å; E167-R171 IonicContact OE1-CZ 3.31Å; E167-R171 VanDerWaalsContact OE1-CZ 3.31Å; E167-R171 IonicContact OE1-NE 2.76Å; E167-R171 PolarHBondContact OE1-NE 2.88Å; E167-R171 IonicContact OE1-NH2 2.98Å; E167-R171 PolarHBondContact OE1-NH2 3.43Å; L168-R171 PolarHBondContact O-N 3.25Å; R171-S173 VanDerWaalsContact C-N 3.35Å; R171-S173 PolarHBondContact O-N 3.29Å; R171-A174 PolarHBondContact O-N 2.93Å; R171-M175 PolarHBondContact O-N 2.89Å; R171-M175 VanDerWaalsContact O-N 3.11Å; R171-L195 HydrophobicContact CB-CD1 3.68Å
172	L	94.4	Very high	92.1	Very high	12 Å²	12	78.9 Å²	78.9	6%	0.063	42%	0.415	C	S	.	.	H	α-helix	trans	-59.4	-46	176.6	-77.5	175.6	0	0	0	111.4	L168 E169 H170 A174 M175 K176 Y192 L195 H196 R199	L168-L172 WeakPolarHBondContact O-CB 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.35Å; E169-L172 PolarHBondContact O-N 2.74Å; H170-L172 PolarHBondContact O-N 2.97Å; L172-A174 VanDerWaalsContact C-N 3.31Å; L172-A174 PolarHBondContact O-N 2.86Å; L172-M175 PolarHBondContact O-N 3.17Å; L172-K176 WeakPolarHBondContact O-CB 3.47Å; L172-K176 PolarHBondContact O-N 3.11Å; L172-Y192 HydrophobicContact CD2-CD2 3.76Å; L172-Y192 HydrophobicContact CD2-CE2 3.85Å; L172-Y192 WeakPolarHBondContact CD2-O 3.41Å; L172-L195 HydrophobicContact CD2-CB 3.65Å; L172-L195 HydrophobicContact CG-CB 4.04Å; L172-H196 WeakPolarHBondContact CD2-CD2 3.42Å; L172-R199 HydrophobicContact CD1-CB 4.2Å
173	S	94.1	Very high	92.4	Very high	81 Å²	81	79.7 Å²	79.7	57%	0.566	42%	0.424	S	S	*	.	H	α-helix	trans	-61.7	-37.3	177.3	71.9	0	0	0	0	113.2	E169 H170 R171	E169-S173 WeakPolarHBondContact O-CB 3.22Å; E169-S173 PolarHBondContact O-N 2.93Å; E169-S173 PolarHBondContact O-OG 3.49Å; H170-S173 PolarHBondContact O-N 3.26Å; H170-S173 PolarHBondContact O-OG 2.9Å; R171-S173 VanDerWaalsContact C-N 3.35Å; R171-S173 PolarHBondContact O-N 3.29Å
174	A	94.6	Very high	92.6	Very high	70 Å²	70	74.4 Å²	74.4	58%	0.579	41%	0.406	S	S	*	.	H	α-helix	trans	-68	-36.8	179	0	0	0	0	0	112.5	H170 R171 L172	H170-A174 PolarHBondContact O-N 2.92Å; R171-A174 PolarHBondContact O-N 2.93Å; L172-A174 VanDerWaalsContact C-N 3.31Å; L172-A174 PolarHBondContact O-N 2.86Å
175	M	94	Very high	93	Very high	28 Å²	28	72.9 Å²	72.9	14%	0.138	40%	0.401	C	S	.	.	H	α-helix	trans	-87.2	-22.4	-177.8	-66.6	-169.9	-65	0	0	114.1	R171 L172 S177 A178 V179 E191 Y192 L195	R171-M175 PolarHBondContact O-N 2.89Å; R171-M175 VanDerWaalsContact O-N 3.11Å; L172-M175 PolarHBondContact O-N 3.17Å; M175-S177 PolarHBondContact O-N 3.41Å; M175-A178 PolarHBondContact O-N 3.44Å; M175-V179 PolarHBondContact O-N 3.4Å; M175-V179 VanDerWaalsContact O-N 3.13Å; M175-E191 HydrophobicContact CE-CG 4.31Å; M175-E191 HydrophobicContact SD-CG 4.4Å; M175-Y192 HydrophobicContact CB-CD2 3.84Å; M175-Y192 HydrophobicContact CE-CD2 4.3Å; M175-L195 HydrophobicContact CE-CD1 3.41Å; M175-L195 VanDerWaalsContact CE-CD1 3.41Å; M175-L195 HydrophobicContact CE-CG 4.35Å
176	K	93.3	Very high	93.4	Very high	89 Å²	89	75.2 Å²	75.2	39%	0.387	42%	0.417	S	S	.	.	H	α-helix	trans	-48.3	-54.1	-172.3	-177.8	176.1	-178.9	178.8	0	113.7	L172 A178 V179 E180 Y192	L172-K176 WeakPolarHBondContact O-CB 3.47Å; L172-K176 PolarHBondContact O-N 3.11Å; K176-A178 PolarHBondContact O-N 3.08Å; K176-V179 PolarHBondContact O-N 3.42Å; K176-E180 WeakPolarHBondContact CE-OE1 3.3Å; K176-E180 VanDerWaalsContact CE-OE2 3.27Å; K176-E180 WeakPolarHBondContact CE-OE2 3.34Å; K176-E180 HydrophobicContact CG-CG 4.32Å; K176-E180 WeakPolarHBondContact O-CB 3.22Å; K176-E180 WeakPolarHBondContact O-CG 3.41Å; K176-E180 PolarHBondContact O-N 2.88Å; K176-Y192 HydrophobicContact CB-CE2 4.23Å
177	S	94	Very high	93.5	Very high	89 Å²	89	75.4 Å²	75.4	62%	0.622	42%	0.419	S	S	*	.	H	α-helix	trans	-62.8	-40.8	-175.6	-174.2	0	0	0	0	112.6	M175 S181	M175-S177 PolarHBondContact O-N 3.41Å; S177-S181 VanDerWaalsContact O-CB 3.25Å; S177-S181 WeakPolarHBondContact O-CB 3Å; S177-S181 PolarHBondContact O-N 2.94Å; S177-S181 VanDerWaalsContact O-N 3.08Å; S177-S181 PolarHBondContact O-OG 3.45Å
178	A	93.9	Very high	93.7	Very high	37 Å²	37	76.2 Å²	76.2	31%	0.306	42%	0.419	S	S	.	.	H	α-helix	trans	-68.1	-40	-179.3	0	0	0	0	0	112	M175 K176 S181 G182 Q183 A184	M175-A178 PolarHBondContact O-N 3.44Å; K176-A178 PolarHBondContact O-N 3.08Å; A178-S181 PolarHBondContact O-OG 2.88Å; A178-G182 PolarHBondContact O-N 3.22Å; A178-Q183 PolarHBondContact O-N 3.02Å; A178-A184 HydrophobicContact CB-CB 4.32Å; A178-A184 PolarHBondContact O-N 2.79Å
179	V	93.3	Very high	93.9	Very high	14 Å²	14	76 Å²	76	9%	0.085	42%	0.419	C	S	.	.	H	α-helix	trans	-72.1	-48	178.9	174.2	0	0	0	0	111.3	M175 K176 S181 G182 A184 V189 Y192	M175-V179 PolarHBondContact O-N 3.4Å; M175-V179 VanDerWaalsContact O-N 3.13Å; K176-V179 PolarHBondContact O-N 3.42Å; V179-S181 VanDerWaalsContact C-N 3.29Å; V179-S181 PolarHBondContact O-N 2.91Å; V179-G182 PolarHBondContact O-N 3.39Å; V179-G182 VanDerWaalsContact O-N 3.09Å; V179-A184 HydrophobicContact CB-CB 4.43Å; V179-A184 HydrophobicContact CG2-CB 3.75Å; V179-V189 HydrophobicContact CG1-CG1 4.48Å; V179-V189 HydrophobicContact CG1-CG2 4.24Å; V179-V189 HydrophobicContact CG2-CG2 4.42Å; V179-Y192 HydrophobicContact CB-CD1 4.16Å; V179-Y192 HydrophobicContact CB-CE1 4.44Å; V179-Y192 HydrophobicContact CB-CG 4.26Å; V179-Y192 HydrophobicContact CG1-CD1 3.67Å; V179-Y192 HydrophobicContact CG1-CE1 4Å; V179-Y192 HydrophobicContact CG1-CG 4.2Å; V179-Y192 HydrophobicContact CG2-CD1 4.22Å; V179-Y192 HydrophobicContact CG2-CD2 4.35Å; V179-Y192 HydrophobicContact CG2-CG 3.88Å
180	E	89.4	Confident	94.1	Very high	110 Å²	110	74.8 Å²	74.8	51%	0.514	41%	0.411	S	S	.	.	H	α-helix	trans	-66.9	-29.1	-178.7	-69.9	178.7	171	0	0	112.8	K176 G182	K176-E180 WeakPolarHBondContact CE-OE1 3.3Å; K176-E180 VanDerWaalsContact CE-OE2 3.27Å; K176-E180 WeakPolarHBondContact CE-OE2 3.34Å; K176-E180 HydrophobicContact CG-CG 4.32Å; K176-E180 WeakPolarHBondContact O-CB 3.22Å; K176-E180 WeakPolarHBondContact O-CG 3.41Å; K176-E180 PolarHBondContact O-N 2.88Å; E180-G182 VanDerWaalsContact C-N 3.31Å
181	S	92.4	Very high	94.1	Very high	62 Å²	62	72.3 Å²	72.3	43%	0.434	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.4	174.7	62.7	0	0	0	0	114.4	S177 A178 V179 Q183	S177-S181 VanDerWaalsContact O-CB 3.25Å; S177-S181 WeakPolarHBondContact O-CB 3Å; S177-S181 PolarHBondContact O-N 2.94Å; S177-S181 VanDerWaalsContact O-N 3.08Å; S177-S181 PolarHBondContact O-OG 3.45Å; A178-S181 PolarHBondContact O-OG 2.88Å; V179-S181 VanDerWaalsContact C-N 3.29Å; V179-S181 PolarHBondContact O-N 2.91Å; S181-Q183 PolarHBondContact O-N 3.39Å; S181-Q183 WeakPolarHBondContact OG-CG 3.45Å
182	G	91.7	Very high	94.2	Very high	64 Å²	64	67.3 Å²	67.3	66%	0.66	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	19.7	-177.7	0	0	0	0	0	114.3	A178 V179 E180	A178-G182 PolarHBondContact O-N 3.22Å; V179-G182 PolarHBondContact O-N 3.39Å; V179-G182 VanDerWaalsContact O-N 3.09Å; E180-G182 VanDerWaalsContact C-N 3.31Å
183	Q	93.5	Very high	94.3	Very high	161 Å²	161	68.3 Å²	68.3	75%	0.752	38%	0.384	S	S	*	.			trans	-89.6	-16.4	177.8	-65.7	179.1	-0.3	0	0	112.8	A178 S181	A178-Q183 PolarHBondContact O-N 3.02Å; S181-Q183 PolarHBondContact O-N 3.39Å; S181-Q183 WeakPolarHBondContact OG-CG 3.45Å
184	A	94.6	Very high	94.4	Very high	23 Å²	23	67.1 Å²	67.1	19%	0.19	37%	0.369	C	S	.	.	S	Bend	trans	-73.2	142.1	175.3	0	0	0	0	0	111.4	A178 V179 R188 V189	A178-A184 HydrophobicContact CB-CB 4.32Å; A178-A184 PolarHBondContact O-N 2.79Å; V179-A184 HydrophobicContact CB-CB 4.43Å; V179-A184 HydrophobicContact CG2-CB 3.75Å; A184-R188 HydrophobicContact CB-CB 4.03Å; A184-V189 HydrophobicContact CB-CG2 3.92Å
185	D	95.6	Very high	94.5	Very high	90 Å²	90	64.2 Å²	64.2	48%	0.481	34%	0.344	S	S	.	.			trans	-70.3	167.4	166.6	57.4	40.3	0	0	0	111.4	E187 R188 V189	D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 3.16Å; D185-E187 PolarHBondContact OD1-N 3.31Å; D185-R188 PolarHBondContact O-N 3.47Å; D185-R188 VanDerWaalsContact OD1-CB 3.29Å; D185-R188 WeakPolarHBondContact OD1-CB 3.43Å; D185-R188 VanDerWaalsContact OD1-CG 3.24Å; D185-R188 WeakPolarHBondContact OD1-CG 3.27Å; D185-R188 PolarHBondContact OD1-N 2.85Å; D185-V189 WeakPolarHBondContact O-CG2 3.47Å; D185-V189 PolarHBondContact O-N 3.28Å
186	D	95.6	Very high	94.6	Very high	104 Å²	104	64.1 Å²	64.1	56%	0.556	34%	0.343	S	S	*	.	H	α-helix	trans	-60.2	-36.2	-176	-169.3	75.6	0	0	0	112.8	S73 R188 V189 R190	S73-D186 WeakPolarHBondContact CB-OD1 3.42Å; S73-D186 PolarHBondContact OG-OD1 2.69Å; S73-D186 PolarHBondContact OG-OD2 3.27Å; D186-R188 PolarHBondContact O-N 3.13Å; D186-V189 PolarHBondContact O-N 2.88Å; D186-R190 VanDerWaalsContact O-CB 3.29Å; D186-R190 WeakPolarHBondContact O-CB 3.19Å; D186-R190 PolarHBondContact O-N 3.08Å
187	E	95.3	Very high	94.8	Very high	128 Å²	128	59.9 Å²	59.9	60%	0.598	33%	0.325	S	S	*	.	H	α-helix	trans	-61.9	-45.9	177.9	-169.8	-170.8	148.1	0	0	111	D185 R190 E191	D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 3.16Å; D185-E187 PolarHBondContact OD1-N 3.31Å; E187-R190 PolarHBondContact O-N 2.67Å; E187-E191 WeakPolarHBondContact O-CB 3.26Å; E187-E191 PolarHBondContact O-N 3.08Å
188	R	94.9	Very high	94.9	Very high	100 Å²	100	58.1 Å²	58.1	38%	0.377	31%	0.306	S	S	.	.	H	α-helix	trans	-69.7	-35.9	177.2	-72.5	-65.2	111.9	82.2	12.8	112.7	A184 D185 D186 R190 E191 Y192	A184-R188 HydrophobicContact CB-CB 4.03Å; D185-R188 PolarHBondContact O-N 3.47Å; D185-R188 VanDerWaalsContact OD1-CB 3.29Å; D185-R188 WeakPolarHBondContact OD1-CB 3.43Å; D185-R188 VanDerWaalsContact OD1-CG 3.24Å; D185-R188 WeakPolarHBondContact OD1-CG 3.27Å; D185-R188 PolarHBondContact OD1-N 2.85Å; D186-R188 PolarHBondContact O-N 3.13Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R188-E191 IonicContact CZ-OE2 3.49Å; R188-E191 IonicContact NE-OE2 2.77Å; R188-E191 PolarHBondContact NE-OE2 2.95Å; R188-E191 IonicContact NH2-OE2 3.64Å; R188-Y192 VanDerWaalsContact O-CB 3.28Å; R188-Y192 WeakPolarHBondContact O-CB 3.46Å; R188-Y192 PolarHBondContact O-N 2.99Å
189	V	95.7	Very high	95	Very high	22 Å²	22	59 Å²	59	13%	0.133	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-45.4	173	173.4	0	0	0	0	110.3	V179 A184 D185 D186 Y192 Y193	V179-V189 HydrophobicContact CG1-CG1 4.48Å; V179-V189 HydrophobicContact CG1-CG2 4.24Å; V179-V189 HydrophobicContact CG2-CG2 4.42Å; A184-V189 HydrophobicContact CB-CG2 3.92Å; D185-V189 WeakPolarHBondContact O-CG2 3.47Å; D185-V189 PolarHBondContact O-N 3.28Å; D186-V189 PolarHBondContact O-N 2.88Å; V189-Y192 WeakPolarHBondContact O-CB 3.3Å; V189-Y192 PolarHBondContact O-N 3.3Å; V189-Y193 HydrophobicContact CG1-CD2 3.87Å; V189-Y193 HydrophobicContact CG1-CE2 3.7Å; V189-Y193 VanDerWaalsContact O-CD2 3.3Å; V189-Y193 WeakPolarHBondContact O-CD2 3.18Å; V189-Y193 PolarHBondContact O-N 3.4Å; V189-Y193 VanDerWaalsContact O-N 3.11Å
190	R	96.2	Very high	95.2	Very high	54 Å²	54	58.8 Å²	58.8	20%	0.204	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-48.1	178.3	-170.2	174.6	177.7	74.7	14.5	111.9	L68 I71 L76 D186 E187 R188 Y192 Y193 H194	L68-R190 PolarHBondContact O-NH2 3.41Å; I71-R190 PolarHBondContact O-NH1 3.41Å; L76-R190 HydrophobicContact CD1-CG 3.79Å; D186-R190 VanDerWaalsContact O-CB 3.29Å; D186-R190 WeakPolarHBondContact O-CB 3.19Å; D186-R190 PolarHBondContact O-N 3.08Å; E187-R190 PolarHBondContact O-N 2.67Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R190-Y192 VanDerWaalsContact C-N 3.31Å; R190-Y192 PolarHBondContact O-N 3.06Å; R190-Y193 PolarHBondContact O-N 3.35Å; R190-H194 WeakPolarHBondContact O-CB 3.26Å; R190-H194 PolarHBondContact O-N 3.02Å
191	E	95.9	Very high	95.5	Very high	68 Å²	68	53.7 Å²	53.7	32%	0.318	28%	0.276	S	S	.	.	H	α-helix	trans	-57.3	-45	175.4	-175.8	-179.3	-178.9	0	0	111.2	M175 E187 R188 Y193 H194 L195	M175-E191 HydrophobicContact CE-CG 4.31Å; M175-E191 HydrophobicContact SD-CG 4.4Å; E187-E191 WeakPolarHBondContact O-CB 3.26Å; E187-E191 PolarHBondContact O-N 3.08Å; R188-E191 IonicContact CZ-OE2 3.49Å; R188-E191 IonicContact NE-OE2 2.77Å; R188-E191 PolarHBondContact NE-OE2 2.95Å; R188-E191 IonicContact NH2-OE2 3.64Å; E191-Y193 PolarHBondContact O-N 3.23Å; E191-H194 WeakPolarHBondContact O-CB 3.45Å; E191-H194 PolarHBondContact O-N 3.19Å; E191-L195 WeakPolarHBondContact O-CG 3.48Å; E191-L195 PolarHBondContact O-N 3.36Å
192	Y	96.4	Very high	95.6	Very high	7 Å²	7	53.5 Å²	53.5	3%	0.027	27%	0.27	C	S	.	.	H	α-helix	trans	-58.4	-47.8	178.6	174.8	-101.7	0	0	0	112.8	L172 M175 K176 V179 R188 V189 R190 L195 H196	L172-Y192 HydrophobicContact CD2-CD2 3.76Å; L172-Y192 HydrophobicContact CD2-CE2 3.85Å; L172-Y192 WeakPolarHBondContact CD2-O 3.41Å; M175-Y192 HydrophobicContact CB-CD2 3.84Å; M175-Y192 HydrophobicContact CE-CD2 4.3Å; K176-Y192 HydrophobicContact CB-CE2 4.23Å; V179-Y192 HydrophobicContact CB-CD1 4.16Å; V179-Y192 HydrophobicContact CB-CE1 4.44Å; V179-Y192 HydrophobicContact CB-CG 4.26Å; V179-Y192 HydrophobicContact CG1-CD1 3.67Å; V179-Y192 HydrophobicContact CG1-CE1 4Å; V179-Y192 HydrophobicContact CG1-CG 4.2Å; V179-Y192 HydrophobicContact CG2-CD1 4.22Å; V179-Y192 HydrophobicContact CG2-CD2 4.35Å; V179-Y192 HydrophobicContact CG2-CG 3.88Å; R188-Y192 VanDerWaalsContact O-CB 3.28Å; R188-Y192 WeakPolarHBondContact O-CB 3.46Å; R188-Y192 PolarHBondContact O-N 2.99Å; V189-Y192 WeakPolarHBondContact O-CB 3.3Å; V189-Y192 PolarHBondContact O-N 3.3Å; R190-Y192 VanDerWaalsContact C-N 3.31Å; R190-Y192 PolarHBondContact O-N 3.06Å; Y192-L195 PolarHBondContact O-N 3.37Å; Y192-H196 AromaticContact CD1-CD2 3.9Å; Y192-H196 AromaticContact CE1-CD2 3.49Å; Y192-H196 VanDerWaalsContact CE1-CD2 3.49Å; Y192-H196 WeakPolarHBondContact CE1-CD2 3.45Å; Y192-H196 AromaticContact CE1-NE2 3.6Å; Y192-H196 AromaticContact CE2-CD2 3.76Å; Y192-H196 AromaticContact CE2-NE2 3.48Å; Y192-H196 WeakPolarHBondContact CE2-NE2 3.49Å; Y192-H196 AromaticContact CZ-CD2 3.43Å; Y192-H196 VanDerWaalsContact CZ-CD2 3.43Å; Y192-H196 AromaticContact CZ-NE2 3.07Å; Y192-H196 PolarHBondContact O-CD2 2.85Å; Y192-H196 PolarHBondContact O-N 3.25Å; Y192-H196 PolarHBondContact OH-NE2 3.3Å
193	Y	96.5	Very high	95.8	Very high	33 Å²	33	51.7 Å²	51.7	13%	0.129	25%	0.245	C	C	.	.	H	α-helix	trans	-71.4	-34.1	178.1	-71.2	-57.4	0	0	0	112.6	S73 L76 K77 V189 R190 E191 L195 H196 L197	S73-Y193 WeakPolarHBondContact O-CD2 3.49Å; L76-Y193 HydrophobicContact CB-CG 4.38Å; K77-Y193 HydrophobicContact CB-CD1 3.69Å; K77-Y193 HydrophobicContact CB-CE1 3.43Å; K77-Y193 VanDerWaalsContact CB-CE1 3.43Å; K77-Y193 HydrophobicContact CB-CE2 4.39Å; K77-Y193 HydrophobicContact CB-CG 4.3Å; K77-Y193 HydrophobicContact CD-CE1 4.27Å; V189-Y193 HydrophobicContact CG1-CD2 3.87Å; V189-Y193 HydrophobicContact CG1-CE2 3.7Å; V189-Y193 VanDerWaalsContact O-CD2 3.3Å; V189-Y193 WeakPolarHBondContact O-CD2 3.18Å; V189-Y193 PolarHBondContact O-N 3.4Å; V189-Y193 VanDerWaalsContact O-N 3.11Å; R190-Y193 PolarHBondContact O-N 3.35Å; E191-Y193 PolarHBondContact O-N 3.23Å; Y193-L195 PolarHBondContact O-N 3.43Å; Y193-H196 WeakPolarHBondContact O-CB 3.44Å; Y193-H196 PolarHBondContact O-N 3.01Å; Y193-L197 VanDerWaalsContact O-CG 3.31Å; Y193-L197 WeakPolarHBondContact O-CG 3.4Å; Y193-L197 PolarHBondContact O-N 3.09Å
194	H	96.1	Very high	96	Very high	56 Å²	56	44 Å²	44	26%	0.259	21%	0.209	S	C	.	.	H	α-helix	trans	-58.2	-47.7	171.9	-172.7	-83.2	0	0	0	111.8	R190 E191 H196 L197 Q198	R190-H194 WeakPolarHBondContact O-CB 3.26Å; R190-H194 PolarHBondContact O-N 3.02Å; E191-H194 WeakPolarHBondContact O-CB 3.45Å; E191-H194 PolarHBondContact O-N 3.19Å; H194-H196 VanDerWaalsContact C-N 3.31Å; H194-H196 PolarHBondContact O-N 3.07Å; H194-L197 PolarHBondContact O-N 3.32Å; H194-Q198 PolarHBondContact CE1-NE2 3.34Å; H194-Q198 VanDerWaalsContact CE1-NE2 3.3Å; H194-Q198 WeakPolarHBondContact O-CG 3.3Å; H194-Q198 PolarHBondContact O-N 3.27Å
195	L	96.1	Very high	96.1	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.052	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-35.7	176.2	-66.3	-171.5	0	0	0	112.5	L168 R171 L172 M175 E191 Y192 Y193 Q198 R199	L168-L195 HydrophobicContact CD2-CD2 3.68Å; R171-L195 HydrophobicContact CB-CD1 3.68Å; L172-L195 HydrophobicContact CD2-CB 3.65Å; L172-L195 HydrophobicContact CG-CB 4.04Å; M175-L195 HydrophobicContact CE-CD1 3.41Å; M175-L195 VanDerWaalsContact CE-CD1 3.41Å; M175-L195 HydrophobicContact CE-CG 4.35Å; E191-L195 WeakPolarHBondContact O-CG 3.48Å; E191-L195 PolarHBondContact O-N 3.36Å; Y192-L195 PolarHBondContact O-N 3.37Å; Y193-L195 PolarHBondContact O-N 3.43Å; L195-Q198 PolarHBondContact O-N 3.01Å; L195-R199 WeakPolarHBondContact O-CB 3.49Å; L195-R199 PolarHBondContact O-N 2.95Å
196	H	96.3	Very high	96	Very high	26 Å²	26	45.5 Å²	45.5	12%	0.12	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-43.8	173.3	-95.6	-68.3	0	0	0	111.6	L80 L172 Y192 Y193 H194 R199 W200	L80-H196 HydrophobicContact CD1-CB 4.2Å; L172-H196 WeakPolarHBondContact CD2-CD2 3.42Å; Y192-H196 AromaticContact CD1-CD2 3.9Å; Y192-H196 AromaticContact CE1-CD2 3.49Å; Y192-H196 VanDerWaalsContact CE1-CD2 3.49Å; Y192-H196 WeakPolarHBondContact CE1-CD2 3.45Å; Y192-H196 AromaticContact CE1-NE2 3.6Å; Y192-H196 AromaticContact CE2-CD2 3.76Å; Y192-H196 AromaticContact CE2-NE2 3.48Å; Y192-H196 WeakPolarHBondContact CE2-NE2 3.49Å; Y192-H196 AromaticContact CZ-CD2 3.43Å; Y192-H196 VanDerWaalsContact CZ-CD2 3.43Å; Y192-H196 AromaticContact CZ-NE2 3.07Å; Y192-H196 PolarHBondContact O-CD2 2.85Å; Y192-H196 PolarHBondContact O-N 3.25Å; Y192-H196 PolarHBondContact OH-NE2 3.3Å; Y193-H196 WeakPolarHBondContact O-CB 3.44Å; Y193-H196 PolarHBondContact O-N 3.01Å; H194-H196 VanDerWaalsContact C-N 3.31Å; H194-H196 PolarHBondContact O-N 3.07Å; H196-R199 PolarHBondContact O-N 2.78Å; H196-W200 WeakPolarHBondContact O-CB 3.4Å; H196-W200 VanDerWaalsContact O-CD1 3.26Å; H196-W200 PolarHBondContact O-N 3.34Å
197	L	97.3	Very high	96	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-45.7	176.2	-62.7	166.2	0	0	0	110.5	L79 L80 Y112 V121 Y193 H194 R199 W200 I201	L79-L197 HydrophobicContact CB-CD2 3.62Å; L79-L197 HydrophobicContact CD1-CD1 3.97Å; L79-L197 HydrophobicContact CD1-CD2 4.39Å; L80-L197 HydrophobicContact CD2-CD2 3.68Å; L80-L197 HydrophobicContact CD2-CG 4.47Å; L80-L197 HydrophobicContact CG-CD2 3.86Å; Y112-L197 HydrophobicContact CE2-CD2 4.13Å; Y112-L197 WeakPolarHBondContact OH-CA 3.5Å; Y112-L197 PolarHBondContact OH-O 3.32Å; V121-L197 HydrophobicContact CG1-CB 3.62Å; V121-L197 HydrophobicContact CG1-CD1 4.39Å; V121-L197 HydrophobicContact CG2-CD1 4.36Å; Y193-L197 VanDerWaalsContact O-CG 3.31Å; Y193-L197 WeakPolarHBondContact O-CG 3.4Å; Y193-L197 PolarHBondContact O-N 3.09Å; H194-L197 PolarHBondContact O-N 3.32Å; L197-R199 VanDerWaalsContact C-N 3.35Å; L197-R199 PolarHBondContact O-N 2.92Å; L197-W200 PolarHBondContact O-N 3.45Å; L197-W200 VanDerWaalsContact O-N 3.13Å; L197-I201 WeakPolarHBondContact O-CG1 3.42Å; L197-I201 PolarHBondContact O-N 3Å
198	Q	96.1	Very high	96.1	Very high	51 Å²	51	37.5 Å²	37.5	24%	0.238	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-45.2	175.9	-67.9	-174	-40.8	0	0	112.6	V121 A122 L168 H194 L195 W200 I201 D202	V121-Q198 HydrophobicContact CG1-CG 4.18Å; V121-Q198 PolarHBondContact O-NE2 3.43Å; A122-Q198 HydrophobicContact CB-CG 4.34Å; L168-Q198 HydrophobicContact CD1-CB 4.49Å; H194-Q198 PolarHBondContact CE1-NE2 3.34Å; H194-Q198 VanDerWaalsContact CE1-NE2 3.3Å; H194-Q198 WeakPolarHBondContact O-CG 3.3Å; H194-Q198 PolarHBondContact O-N 3.27Å; L195-Q198 PolarHBondContact O-N 3.01Å; Q198-W200 VanDerWaalsContact C-N 3.3Å; Q198-W200 PolarHBondContact O-N 2.99Å; Q198-I201 WeakPolarHBondContact O-CB 3.29Å; Q198-I201 PolarHBondContact O-N 3.08Å; Q198-D202 PolarHBondContact O-N 2.87Å
199	R	95.8	Very high	96.1	Very high	56 Å²	56	38.6 Å²	38.6	21%	0.211	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-42.2	175.4	177	179.8	176.5	-87.6	1.7	112	L172 L195 H196 L197 I201 D202 I203	L172-R199 HydrophobicContact CD1-CB 4.2Å; L195-R199 WeakPolarHBondContact O-CB 3.49Å; L195-R199 PolarHBondContact O-N 2.95Å; H196-R199 PolarHBondContact O-N 2.78Å; L197-R199 VanDerWaalsContact C-N 3.35Å; L197-R199 PolarHBondContact O-N 2.92Å; R199-I201 VanDerWaalsContact C-N 3.35Å; R199-D202 PolarHBondContact O-N 3.02Å; R199-I203 HydrophobicContact CG-CD1 3.95Å; R199-I203 WeakPolarHBondContact O-CG1 3.16Å; R199-I203 PolarHBondContact O-N 3.46Å; R199-I203 VanDerWaalsContact O-N 3.12Å
200	W	97.6	Very high	96.1	Very high	9 Å²	9	40.2 Å²	40.2	3%	0.034	19%	0.191	C	C	.	.	H	α-helix	trans	-74.4	-24.6	-179	-85.4	100.7	0	0	0	113.2	L23 L80 A83 F84 A87 Y112 H196 L197 Q198 I203 S204	L23-W200 HydrophobicContact CD2-CH2 4Å; L23-W200 HydrophobicContact CD2-CZ2 4.11Å; L80-W200 HydrophobicContact CD2-CB 3.85Å; L80-W200 VanDerWaalsContact CD2-CD1 3.42Å; L80-W200 HydrophobicContact CD2-CG 3.72Å; A83-W200 HydrophobicContact CB-CB 4.35Å; A83-W200 HydrophobicContact CB-CD2 4.02Å; A83-W200 HydrophobicContact CB-CE3 3.61Å; A83-W200 HydrophobicContact CB-CG 4.36Å; A83-W200 HydrophobicContact CB-CZ3 4.22Å; F84-W200 AromaticContact CD1-CE2 3.84Å; F84-W200 AromaticContact CD1-CH2 3.91Å; F84-W200 HydrophobicContact CD1-CH2 3.91Å; F84-W200 AromaticContact CD1-CZ2 3.5Å; F84-W200 HydrophobicContact CD1-CZ2 3.5Å; F84-W200 HydrophobicContact CE1-CD2 4.35Å; F84-W200 AromaticContact CE1-CE2 3.44Å; F84-W200 VanDerWaalsContact CE1-CE2 3.44Å; F84-W200 HydrophobicContact CE1-CH2 4.25Å; F84-W200 AromaticContact CE1-CZ2 3.39Å; F84-W200 HydrophobicContact CE1-CZ2 3.39Å; F84-W200 AromaticContact CE1-NE1 3.5Å; A87-W200 HydrophobicContact CB-CH2 3.74Å; A87-W200 HydrophobicContact CB-CZ3 3.89Å; Y112-W200 VanDerWaalsContact CE1-C 3.43Å; Y112-W200 HydrophobicContact CE1-CB 3.88Å; Y112-W200 WeakPolarHBondContact CE1-O 3.23Å; Y112-W200 HydrophobicContact CE2-CB 4.5Å; Y112-W200 WeakPolarHBondContact OH-CB 3.42Å; H196-W200 WeakPolarHBondContact O-CB 3.4Å; H196-W200 VanDerWaalsContact O-CD1 3.26Å; H196-W200 PolarHBondContact O-N 3.34Å; L197-W200 PolarHBondContact O-N 3.45Å; L197-W200 VanDerWaalsContact O-N 3.13Å; Q198-W200 VanDerWaalsContact C-N 3.3Å; Q198-W200 PolarHBondContact O-N 2.99Å; W200-I203 HydrophobicContact CD2-CD1 4.2Å; W200-I203 HydrophobicContact CE3-CB 4.16Å; W200-I203 HydrophobicContact CE3-CD1 4.22Å; W200-I203 HydrophobicContact CE3-CG2 3.97Å; W200-I203 HydrophobicContact CZ3-CG2 3.88Å; W200-S204 VanDerWaalsContact O-CB 3.23Å; W200-S204 WeakPolarHBondContact O-CB 3.42Å; W200-S204 PolarHBondContact O-N 3.21Å; W200-S204 PolarHBondContact O-OG 3.37Å
201	I	96.8	Very high	96.2	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-50.9	168	-69.7	165.7	0	0	0	109.5	Y112 L113 C116 V121 A122 F124 L197 Q198 R199 I203 S204 L205	Y112-I201 HydrophobicContact CE1-CG1 3.96Å; Y112-I201 PolarHBondContact OH-N 3.39Å; L113-I201 HydrophobicContact CD2-CB 4.24Å; L113-I201 HydrophobicContact CD2-CG1 4.24Å; L113-I201 HydrophobicContact CD2-CG2 3.94Å; C116-I201 HydrophobicContact CB-CD1 3.84Å; C116-I201 HydrophobicContact CB-CG1 4.02Å; V121-I201 HydrophobicContact CB-CD1 4.03Å; V121-I201 HydrophobicContact CG1-CD1 3.77Å; A122-I201 HydrophobicContact CB-CD1 3.94Å; F124-I201 HydrophobicContact CB-CG2 4.43Å; F124-I201 HydrophobicContact CD1-CD1 4.24Å; F124-I201 HydrophobicContact CD1-CG2 3.75Å; F124-I201 HydrophobicContact CD2-CG2 4.2Å; F124-I201 HydrophobicContact CE1-CD1 3.85Å; F124-I201 HydrophobicContact CE1-CG1 4.29Å; F124-I201 HydrophobicContact CE1-CG2 4Å; F124-I201 HydrophobicContact CE2-CG2 4.43Å; F124-I201 HydrophobicContact CG-CG2 3.86Å; F124-I201 HydrophobicContact CZ-CG2 4.32Å; L197-I201 WeakPolarHBondContact O-CG1 3.42Å; L197-I201 PolarHBondContact O-N 3Å; Q198-I201 WeakPolarHBondContact O-CB 3.29Å; Q198-I201 PolarHBondContact O-N 3.08Å; R199-I201 VanDerWaalsContact C-N 3.35Å; I201-I203 PolarHBondContact O-N 3.47Å; I201-S204 PolarHBondContact O-N 2.96Å; I201-L205 HydrophobicContact CG2-CD1 3.99Å; I201-L205 WeakPolarHBondContact O-CG 3.39Å; I201-L205 PolarHBondContact O-N 3.04Å
202	D	94.3	Very high	96.2	Very high	59 Å²	59	36.4 Å²	36.4	32%	0.316	18%	0.177	S	C	.	.	H	α-helix	trans	-58.3	-47.1	178.8	-70.2	-27.5	0	0	0	111.7	Q198 R199 S204 L205 E206	Q198-D202 PolarHBondContact O-N 2.87Å; R199-D202 PolarHBondContact O-N 3.02Å; D202-S204 PolarHBondContact O-N 3.2Å; D202-L205 PolarHBondContact O-N 3.44Å; D202-E206 WeakPolarHBondContact O-CG 3.41Å; D202-E206 PolarHBondContact O-N 2.95Å; D202-E206 VanDerWaalsContact O-N 3.07Å
203	I	95.7	Very high	96.1	Very high	25 Å²	25	42.1 Å²	42.1	13%	0.128	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-45.9	177.8	-67.3	166.3	0	0	0	110.9	R199 W200 I201 L205 E206 E207	R199-I203 HydrophobicContact CG-CD1 3.95Å; R199-I203 WeakPolarHBondContact O-CG1 3.16Å; R199-I203 PolarHBondContact O-N 3.46Å; R199-I203 VanDerWaalsContact O-N 3.12Å; W200-I203 HydrophobicContact CD2-CD1 4.2Å; W200-I203 HydrophobicContact CE3-CB 4.16Å; W200-I203 HydrophobicContact CE3-CD1 4.22Å; W200-I203 HydrophobicContact CE3-CG2 3.97Å; W200-I203 HydrophobicContact CZ3-CG2 3.88Å; I201-I203 PolarHBondContact O-N 3.47Å; I203-L205 VanDerWaalsContact C-N 3.33Å; I203-L205 PolarHBondContact O-N 3.34Å; I203-E206 PolarHBondContact O-N 2.97Å; I203-E207 HydrophobicContact CG2-CG 4.15Å; I203-E207 WeakPolarHBondContact O-CB 3.45Å; I203-E207 WeakPolarHBondContact O-CG 3.48Å; I203-E207 PolarHBondContact O-N 3.18Å
204	S	97.8	Very high	96.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-36.7	-176.9	-59.8	0	0	0	0	112.1	F109 Y112 W200 I201 D202 I208	F109-S204 VanDerWaalsContact CD1-OG 3.29Å; F109-S204 WeakPolarHBondContact CD1-OG 3.26Å; Y112-S204 VanDerWaalsContact CD1-OG 3.23Å; Y112-S204 WeakPolarHBondContact CD1-OG 3.48Å; W200-S204 VanDerWaalsContact O-CB 3.23Å; W200-S204 WeakPolarHBondContact O-CB 3.42Å; W200-S204 PolarHBondContact O-N 3.21Å; W200-S204 PolarHBondContact O-OG 3.37Å; I201-S204 PolarHBondContact O-N 2.96Å; D202-S204 PolarHBondContact O-N 3.2Å; S204-I208 WeakPolarHBondContact O-CB 3.4Å; S204-I208 VanDerWaalsContact O-CG1 3.26Å; S204-I208 WeakPolarHBondContact O-CG1 3.48Å; S204-I208 PolarHBondContact O-N 3.49Å
205	L	95.4	Very high	96	Very high	40 Å²	40	40.7 Å²	40.7	21%	0.209	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-48.3	173.9	-70.3	171.2	0	0	0	111.3	L113 F124 P127 I201 D202 I203 E207 I208 E209	L113-L205 HydrophobicContact CD1-CD2 3.73Å; L113-L205 HydrophobicContact CD1-CG 4.22Å; L113-L205 HydrophobicContact CD2-CD2 4.48Å; L113-L205 HydrophobicContact CD2-CG 4.29Å; F124-L205 HydrophobicContact CB-CD1 4.31Å; F124-L205 HydrophobicContact CD2-CD1 4.28Å; F124-L205 HydrophobicContact CD2-CD2 4.38Å; P127-L205 HydrophobicContact CG-CD2 3.62Å; I201-L205 HydrophobicContact CG2-CD1 3.99Å; I201-L205 WeakPolarHBondContact O-CG 3.39Å; I201-L205 PolarHBondContact O-N 3.04Å; D202-L205 PolarHBondContact O-N 3.44Å; I203-L205 VanDerWaalsContact C-N 3.33Å; I203-L205 PolarHBondContact O-N 3.34Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-E207 PolarHBondContact O-N 3.47Å; L205-I208 PolarHBondContact O-N 3.41Å; L205-E209 PolarHBondContact O-N 2.98Å; L205-E209 VanDerWaalsContact O-N 3.16Å
206	E	93.9	Very high	95.9	Very high	104 Å²	104	46.6 Å²	46.6	49%	0.486	22%	0.224	S	C	.	.	H	α-helix	trans	-58.8	-44	176.3	-72.4	178.4	173.9	0	0	111.5	K165 D202 I203 E209 S210	K165-E206 IonicContact NZ-OE1 3.54Å; K165-E206 IonicContact NZ-OE2 2.69Å; K165-E206 PolarHBondContact NZ-OE2 3.18Å; D202-E206 WeakPolarHBondContact O-CG 3.41Å; D202-E206 PolarHBondContact O-N 2.95Å; D202-E206 VanDerWaalsContact O-N 3.07Å; I203-E206 PolarHBondContact O-N 2.97Å; E206-E209 PolarHBondContact O-N 2.91Å; E206-S210 PolarHBondContact O-N 2.75Å; E206-S210 VanDerWaalsContact O-N 3.11Å
207	E	97.1	Very high	95.9	Very high	61 Å²	61	50.7 Å²	50.7	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-67.3	-41.1	179.2	-75.1	-65.5	145.3	0	0	112.2	M90 F109 I203 L205 E209 S210 I211	M90-E207 WeakPolarHBondContact CE-OE2 3.47Å; F109-E207 HydrophobicContact CD2-CB 4.03Å; F109-E207 HydrophobicContact CE2-CB 3.58Å; F109-E207 HydrophobicContact CE2-CG 4.06Å; F109-E207 HydrophobicContact CZ-CB 3.9Å; F109-E207 HydrophobicContact CZ-CG 3.93Å; I203-E207 HydrophobicContact CG2-CG 4.15Å; I203-E207 WeakPolarHBondContact O-CB 3.45Å; I203-E207 WeakPolarHBondContact O-CG 3.48Å; I203-E207 PolarHBondContact O-N 3.18Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-E207 PolarHBondContact O-N 3.47Å; E207-E209 VanDerWaalsContact C-N 3.34Å; E207-E209 PolarHBondContact O-N 2.71Å; E207-S210 WeakPolarHBondContact O-CB 3.39Å; E207-S210 PolarHBondContact O-N 3.47Å; E207-I211 HydrophobicContact CB-CD1 4.45Å; E207-I211 VanDerWaalsContact O-CB 3.3Å; E207-I211 WeakPolarHBondContact O-CB 3.45Å; E207-I211 WeakPolarHBondContact O-CD1 3.39Å; E207-I211 WeakPolarHBondContact O-CG1 3.41Å; E207-I211 PolarHBondContact O-N 3.03Å
208	I	97.3	Very high	95.6	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-41.8	176.8	-74.7	169.2	0	0	0	111.2	F109 M110 L113 P127 S204 L205 I211 D212	F109-I208 HydrophobicContact CB-CD1 3.78Å; F109-I208 HydrophobicContact CB-CG1 3.81Å; M110-I208 HydrophobicContact CG-CD1 4.01Å; M110-I208 HydrophobicContact SD-CD1 3.65Å; L113-I208 HydrophobicContact CD1-CD1 3.57Å; P127-I208 HydrophobicContact CB-CD1 4.47Å; P127-I208 HydrophobicContact CB-CG2 3.92Å; P127-I208 HydrophobicContact CG-CD1 3.97Å; P127-I208 HydrophobicContact CG-CG2 4.17Å; S204-I208 WeakPolarHBondContact O-CB 3.4Å; S204-I208 VanDerWaalsContact O-CG1 3.26Å; S204-I208 WeakPolarHBondContact O-CG1 3.48Å; S204-I208 PolarHBondContact O-N 3.49Å; L205-I208 PolarHBondContact O-N 3.41Å; I208-I211 PolarHBondContact O-N 3.49Å; I208-D212 WeakPolarHBondContact O-CB 3.47Å; I208-D212 PolarHBondContact O-N 3.41Å
209	E	94.2	Very high	95.4	Very high	123 Å²	123	54.6 Å²	54.6	58%	0.575	26%	0.259	S	S	*	.	H	α-helix	trans	-60.2	-46.3	175.4	-72.1	-175.9	-178.1	0	0	111.5	L205 E206 E207 Q213	L205-E209 PolarHBondContact O-N 2.98Å; L205-E209 VanDerWaalsContact O-N 3.16Å; E206-E209 PolarHBondContact O-N 2.91Å; E207-E209 VanDerWaalsContact C-N 3.34Å; E207-E209 PolarHBondContact O-N 2.71Å; E209-Q213 VanDerWaalsContact O-CG 3.31Å; E209-Q213 WeakPolarHBondContact O-CG 2.99Å; E209-Q213 PolarHBondContact O-N 3.37Å
210	S	96.4	Very high	95.2	Very high	56 Å²	56	56.9 Å²	56.9	39%	0.392	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-47.1	176.8	-175.1	0	0	0	0	111.9	E206 E207 Q213 E214	E206-S210 PolarHBondContact O-N 2.75Å; E206-S210 VanDerWaalsContact O-N 3.11Å; E207-S210 WeakPolarHBondContact O-CB 3.39Å; E207-S210 PolarHBondContact O-N 3.47Å; S210-Q213 PolarHBondContact O-N 3.24Å; S210-E214 PolarHBondContact O-N 3.47Å
211	I	97.6	Very high	94.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-46.9	178.9	-72.6	163.9	0	0	0	111.1	M90 L102 A105 R106 F109 E207 I208 Q213 E214 I215	M90-I211 HydrophobicContact CE-CD1 4.13Å; M90-I211 HydrophobicContact CE-CG1 3.61Å; M90-I211 HydrophobicContact CG-CD1 4.38Å; M90-I211 HydrophobicContact SD-CD1 3.79Å; M90-I211 HydrophobicContact SD-CG1 3.76Å; L102-I211 HydrophobicContact CB-CG2 4.09Å; L102-I211 HydrophobicContact CD2-CB 4.36Å; L102-I211 HydrophobicContact CD2-CG1 3.96Å; L102-I211 HydrophobicContact CD2-CG2 4.13Å; L102-I211 WeakPolarHBondContact O-CG2 3.39Å; A105-I211 HydrophobicContact CB-CD1 3.92Å; R106-I211 HydrophobicContact CB-CG2 4Å; R106-I211 HydrophobicContact CG-CG2 4.4Å; F109-I211 HydrophobicContact CD2-CD1 3.85Å; F109-I211 HydrophobicContact CE2-CD1 3.93Å; E207-I211 HydrophobicContact CB-CD1 4.45Å; E207-I211 VanDerWaalsContact O-CB 3.3Å; E207-I211 WeakPolarHBondContact O-CB 3.45Å; E207-I211 WeakPolarHBondContact O-CD1 3.39Å; E207-I211 WeakPolarHBondContact O-CG1 3.41Å; E207-I211 PolarHBondContact O-N 3.03Å; I208-I211 PolarHBondContact O-N 3.49Å; I211-Q213 VanDerWaalsContact C-N 3.3Å; I211-Q213 PolarHBondContact O-N 2.98Å; I211-E214 PolarHBondContact O-N 3.21Å; I211-I215 HydrophobicContact CG2-CD1 3.58Å; I211-I215 HydrophobicContact CG2-CG1 4.14Å; I211-I215 WeakPolarHBondContact O-CB 3.24Å; I211-I215 VanDerWaalsContact O-CG1 3.27Å; I211-I215 WeakPolarHBondContact O-CG1 3.47Å; I211-I215 PolarHBondContact O-N 3.12Å
212	D	95.5	Very high	94	Very high	41 Å²	41	64.3 Å²	64.3	22%	0.219	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-33.8	-178.2	-91.1	-38	0	0	0	112	R106 K130 I208 K216	R106-D212 IonicContact CZ-OD1 3.94Å; R106-D212 IonicContact CZ-OD2 3.49Å; R106-D212 IonicContact NE-OD1 3.08Å; R106-D212 PolarHBondContact NE-OD1 2.88Å; R106-D212 IonicContact NE-OD2 3.74Å; R106-D212 PolarHBondContact NE-OD2 3.42Å; R106-D212 IonicContact NH2-OD1 3.95Å; R106-D212 IonicContact NH2-OD2 3Å; R106-D212 PolarHBondContact NH2-OD2 3.43Å; K130-D212 IonicContact NZ-OD1 2.77Å; K130-D212 PolarHBondContact NZ-OD1 2.97Å; I208-D212 WeakPolarHBondContact O-CB 3.47Å; I208-D212 PolarHBondContact O-N 3.41Å; D212-K216 PolarHBondContact O-N 3.37Å; D212-K216 VanDerWaalsContact O-N 3.16Å
213	Q	94.9	Very high	93.2	Very high	128 Å²	128	65 Å²	65	60%	0.598	31%	0.313	S	S	*	.	H	α-helix	trans	-65.3	-46.4	171.5	-69.5	173.4	25.7	0	0	111.8	E209 S210 I211 K216 I217	E209-Q213 VanDerWaalsContact O-CG 3.31Å; E209-Q213 WeakPolarHBondContact O-CG 2.99Å; E209-Q213 PolarHBondContact O-N 3.37Å; S210-Q213 PolarHBondContact O-N 3.24Å; I211-Q213 VanDerWaalsContact C-N 3.3Å; I211-Q213 PolarHBondContact O-N 2.98Å; Q213-K216 WeakPolarHBondContact O-CB 3.47Å; Q213-K216 PolarHBondContact O-N 3.35Å; Q213-I217 WeakPolarHBondContact O-CG1 3.33Å; Q213-I217 PolarHBondContact O-N 2.92Å
214	E	96.4	Very high	92.2	Very high	55 Å²	55	67.2 Å²	67.2	26%	0.257	33%	0.331	S	S	.	.	H	α-helix	trans	-66.3	-42.6	179.9	-167.8	-178.2	162	0	0	111.9	R98 L102 S210 I211 K216 I217 L218	R98-E214 IonicContact CZ-OE1 2.75Å; R98-E214 IonicContact CZ-OE2 3.56Å; R98-E214 IonicContact NE-OE1 3.26Å; R98-E214 PolarHBondContact NE-OE1 3.28Å; R98-E214 IonicContact NE-OE2 3.37Å; R98-E214 IonicContact NH2-OE1 2.69Å; R98-E214 PolarHBondContact NH2-OE1 3.45Å; R98-E214 IonicContact NH2-OE2 3.49Å; R98-E214 PolarHBondContact NH2-OE2 2.69Å; L102-E214 HydrophobicContact CD1-CB 4.06Å; L102-E214 HydrophobicContact CD1-CG 3.78Å; L102-E214 WeakPolarHBondContact CD2-OE2 3.45Å; S210-E214 PolarHBondContact O-N 3.47Å; I211-E214 PolarHBondContact O-N 3.21Å; E214-K216 PolarHBondContact O-N 3.04Å; E214-I217 PolarHBondContact O-N 3.01Å; E214-L218 HydrophobicContact CG-CD1 4.24Å; E214-L218 HydrophobicContact CG-CG 4.44Å; E214-L218 WeakPolarHBondContact O-CG 3.47Å; E214-L218 PolarHBondContact O-N 3Å
215	I	94.7	Very high	91	Very high	4 Å²	4	75.3 Å²	75.3	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-56.4	-42.2	174.8	-73.3	174.5	0	0	0	110.4	L99 L102 Q103 I211 L218 R219	L99-I215 HydrophobicContact CD1-CG1 4.2Å; L99-I215 HydrophobicContact CD1-CG2 4.14Å; L102-I215 HydrophobicContact CB-CD1 4Å; L102-I215 HydrophobicContact CB-CG1 3.75Å; L102-I215 HydrophobicContact CD1-CG1 3.94Å; L102-I215 HydrophobicContact CG-CG1 4.44Å; Q103-I215 HydrophobicContact CG-CD1 4.33Å; I211-I215 HydrophobicContact CG2-CD1 3.58Å; I211-I215 HydrophobicContact CG2-CG1 4.14Å; I211-I215 WeakPolarHBondContact O-CB 3.24Å; I211-I215 VanDerWaalsContact O-CG1 3.27Å; I211-I215 WeakPolarHBondContact O-CG1 3.47Å; I211-I215 PolarHBondContact O-N 3.12Å; I215-L218 PolarHBondContact O-N 3.01Å; I215-R219 HydrophobicContact CG2-CG 4.45Å; I215-R219 VanDerWaalsContact CG2-NE 3.33Å; I215-R219 VanDerWaalsContact O-CG 3.3Å; I215-R219 WeakPolarHBondContact O-CG 3.32Å; I215-R219 PolarHBondContact O-N 3.08Å; I215-R219 VanDerWaalsContact O-N 3.08Å
216	K	93.9	Very high	89.4	Confident	133 Å²	133	80 Å²	80	58%	0.578	38%	0.382	S	S	*	.	H	α-helix	trans	-60.4	-48.7	178.1	-176.4	-178.7	174.8	-176.3	0	111.1	D212 Q213 E214 L218 R219 E220	D212-K216 PolarHBondContact O-N 3.37Å; D212-K216 VanDerWaalsContact O-N 3.16Å; Q213-K216 WeakPolarHBondContact O-CB 3.47Å; Q213-K216 PolarHBondContact O-N 3.35Å; E214-K216 PolarHBondContact O-N 3.04Å; K216-L218 PolarHBondContact O-N 3.17Å; K216-R219 PolarHBondContact O-N 2.96Å; K216-E220 WeakPolarHBondContact CE-OE1 3.43Å; K216-E220 WeakPolarHBondContact CG-OE1 3.37Å; K216-E220 WeakPolarHBondContact O-CG 3.5Å; K216-E220 PolarHBondContact O-N 3.02Å
217	I	94.3	Very high	87.8	Confident	112 Å²	112	77.8 Å²	77.8	57%	0.574	38%	0.381	S	S	*	.	H	α-helix	trans	-61.3	-45.1	179.4	-64.7	167.5	0	0	0	111.3	Q213 E214 R219 E220 R221	Q213-I217 WeakPolarHBondContact O-CG1 3.33Å; Q213-I217 PolarHBondContact O-N 2.92Å; E214-I217 PolarHBondContact O-N 3.01Å; I217-R219 VanDerWaalsContact C-N 3.34Å; I217-R219 PolarHBondContact O-N 3.42Å; I217-E220 PolarHBondContact O-N 3.15Å; I217-R221 WeakPolarHBondContact O-CB 3.47Å; I217-R221 PolarHBondContact O-N 3.47Å
218	L	92.3	Very high	85.8	Confident	19 Å²	19	78.7 Å²	78.7	10%	0.099	40%	0.395	C	S	.	.	H	α-helix	trans	-63.7	-39.4	-179.3	-69.7	175.4	0	0	0	112	R98 L102 E214 I215 K216 R221 D222	R98-L218 HydrophobicContact CG-CD1 3.96Å; L102-L218 HydrophobicContact CD1-CD1 3.49Å; L102-L218 VanDerWaalsContact CD1-CD1 3.49Å; E214-L218 HydrophobicContact CG-CD1 4.24Å; E214-L218 HydrophobicContact CG-CG 4.44Å; E214-L218 WeakPolarHBondContact O-CG 3.47Å; E214-L218 PolarHBondContact O-N 3Å; I215-L218 PolarHBondContact O-N 3.01Å; K216-L218 PolarHBondContact O-N 3.17Å; L218-R221 PolarHBondContact O-N 2.95Å; L218-D222 VanDerWaalsContact O-CG 3.29Å; L218-D222 PolarHBondContact O-N 2.77Å; L218-D222 VanDerWaalsContact O-N 3.08Å
219	R	91.5	Very high	83.8	Confident	114 Å²	114	83.8 Å²	83.8	43%	0.43	43%	0.426	S	S	.	.	H	α-helix	trans	-68.1	-41.3	176.9	-72	178.3	-174	-79.3	-4.2	112.7	I215 K216 I217 R221 D222 S223	I215-R219 HydrophobicContact CG2-CG 4.45Å; I215-R219 VanDerWaalsContact CG2-NE 3.33Å; I215-R219 VanDerWaalsContact O-CG 3.3Å; I215-R219 WeakPolarHBondContact O-CG 3.32Å; I215-R219 PolarHBondContact O-N 3.08Å; I215-R219 VanDerWaalsContact O-N 3.08Å; K216-R219 PolarHBondContact O-N 2.96Å; I217-R219 VanDerWaalsContact C-N 3.34Å; I217-R219 PolarHBondContact O-N 3.42Å; R219-R221 VanDerWaalsContact C-N 3.33Å; R219-D222 PolarHBondContact O-N 3.33Å; R219-S223 WeakPolarHBondContact O-CB 3.5Å; R219-S223 PolarHBondContact O-N 3.43Å; R219-S223 PolarHBondContact O-OG 3.24Å
220	E	90.6	Very high	82	Confident	104 Å²	104	82.1 Å²	82.1	49%	0.486	43%	0.428	S	S	.	.	H	α-helix	trans	-64.5	-39	176.4	-73.1	173.9	-173.9	0	0	111.5	K216 I217 S224	K216-E220 WeakPolarHBondContact CE-OE1 3.43Å; K216-E220 WeakPolarHBondContact CG-OE1 3.37Å; K216-E220 WeakPolarHBondContact O-CG 3.5Å; K216-E220 PolarHBondContact O-N 3.02Å; I217-E220 PolarHBondContact O-N 3.15Å; E220-S224 WeakPolarHBondContact O-CB 3.46Å; E220-S224 PolarHBondContact O-N 2.67Å; E220-S224 PolarHBondContact O-OG 2.8Å
221	R	88.5	Confident	79.9	Confident	126 Å²	126	85.6 Å²	85.6	48%	0.475	44%	0.442	S	S	.	.	H	α-helix	trans	-60.9	-48.4	173.9	-178.5	-160.6	69.6	-170.2	-3.9	111.8	I217 L218 R219 S224 R225	I217-R221 WeakPolarHBondContact O-CB 3.47Å; I217-R221 PolarHBondContact O-N 3.47Å; L218-R221 PolarHBondContact O-N 2.95Å; R219-R221 VanDerWaalsContact C-N 3.33Å; R221-S224 PolarHBondContact O-N 2.94Å; R221-R225 WeakPolarHBondContact O-CB 3.4Å; R221-R225 PolarHBondContact O-N 2.86Å
222	D	81.2	Confident	77.5	Confident	42 Å²	42	91 Å²	91	23%	0.225	48%	0.48	C	S	.	.	H	α-helix	trans	-68	-41.1	-176.5	-66.9	-13.7	0	0	0	110.8	L218 R219 S224 R225 E226	L218-D222 VanDerWaalsContact O-CG 3.29Å; L218-D222 PolarHBondContact O-N 2.77Å; L218-D222 VanDerWaalsContact O-N 3.08Å; R219-D222 PolarHBondContact O-N 3.33Å; D222-S224 VanDerWaalsContact C-N 3.34Å; D222-S224 PolarHBondContact O-N 2.7Å; D222-R225 PolarHBondContact O-N 3.43Å; D222-R225 VanDerWaalsContact O-N 3.17Å; D222-E226 WeakPolarHBondContact O-CG 3.29Å; D222-E226 PolarHBondContact O-N 2.95Å
223	S	78.9	Confident	75.5	Confident	73 Å²	73	93.4 Å²	93.4	51%	0.51	50%	0.5	S	S	.	.	H	α-helix	trans	-60.3	-41.6	173.1	-53.5	0	0	0	0	112.3	R219 R225 E226 A227	R219-S223 WeakPolarHBondContact O-CB 3.5Å; R219-S223 PolarHBondContact O-N 3.43Å; R219-S223 PolarHBondContact O-OG 3.24Å; S223-R225 VanDerWaalsContact C-N 3.35Å; S223-E226 PolarHBondContact O-N 3.31Å; S223-A227 WeakPolarHBondContact O-CB 3.33Å; S223-A227 PolarHBondContact O-N 3.3Å
224	S	74.3	Confident	73.5	Confident	72 Å²	72	99 Å²	99	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-68	-34	176.8	-59.8	0	0	0	0	112.3	E220 R221 D222 S228	E220-S224 WeakPolarHBondContact O-CB 3.46Å; E220-S224 PolarHBondContact O-N 2.67Å; E220-S224 PolarHBondContact O-OG 2.8Å; R221-S224 PolarHBondContact O-N 2.94Å; D222-S224 VanDerWaalsContact C-N 3.34Å; D222-S224 PolarHBondContact O-N 2.7Å; S224-S228 WeakPolarHBondContact O-CB 3.1Å; S224-S228 PolarHBondContact O-N 3.12Å; S224-S228 VanDerWaalsContact O-N 3.08Å; S224-S228 PolarHBondContact O-OG 2.82Å
225	R	71.9	Confident	71.7	Confident	171 Å²	171	104.6 Å²	104.6	65%	0.645	54%	0.542	S	S	*	.	H	α-helix	trans	-69.3	-40.8	176.4	-163.4	172.7	76.1	179.9	2.7	111.6	R221 D222 S223 S228 T229	R221-R225 WeakPolarHBondContact O-CB 3.4Å; R221-R225 PolarHBondContact O-N 2.86Å; D222-R225 PolarHBondContact O-N 3.43Å; D222-R225 VanDerWaalsContact O-N 3.17Å; S223-R225 VanDerWaalsContact C-N 3.35Å; R225-S228 PolarHBondContact O-N 3.46Å; R225-T229 PolarHBondContact O-N 2.79Å; R225-T229 VanDerWaalsContact O-N 3.12Å; R225-T229 PolarHBondContact O-OG1 3.44Å
226	E	62	Low	69.7	Low	138 Å²	138	113.2 Å²	113.2	65%	0.645	58%	0.582	S	S	*	*	H	α-helix	trans	-67.4	-37.1	175	-71	175.6	-178.1	0	0	112.7	D222 S223 S228 T229 S230	D222-E226 WeakPolarHBondContact O-CG 3.29Å; D222-E226 PolarHBondContact O-N 2.95Å; S223-E226 PolarHBondContact O-N 3.31Å; E226-S228 VanDerWaalsContact C-N 3.26Å; E226-S228 PolarHBondContact O-N 3.36Å; E226-T229 PolarHBondContact O-OG1 3.41Å; E226-T229 VanDerWaalsContact O-OG1 3.04Å; E226-S230 PolarHBondContact O-OG 3.3Å
227	A	59.9	Low	68.2	Low	57 Å²	57	117.7 Å²	117.7	47%	0.471	60%	0.595	S	S	.	*	H	α-helix	trans	-67.4	-26.7	171.9	0	0	0	0	0	112.9	S223 S230	S223-A227 WeakPolarHBondContact O-CB 3.33Å; S223-A227 PolarHBondContact O-N 3.3Å; A227-S230 PolarHBondContact O-OG 3.25Å
228	S	55.7	Low	67	Low	81 Å²	81	117.5 Å²	117.5	57%	0.566	60%	0.601	S	S	*	*	H	α-helix	trans	-82	-30.4	179.8	-57.8	0	0	0	0	113.2	S224 R225 E226 S230	S224-S228 WeakPolarHBondContact O-CB 3.1Å; S224-S228 PolarHBondContact O-N 3.12Å; S224-S228 VanDerWaalsContact O-N 3.08Å; S224-S228 PolarHBondContact O-OG 2.82Å; R225-S228 PolarHBondContact O-N 3.46Å; E226-S228 VanDerWaalsContact C-N 3.26Å; E226-S228 PolarHBondContact O-N 3.36Å; S228-S230 VanDerWaalsContact C-N 3.32Å
229	T	55.5	Low	65.9	Low	111 Å²	111	122.4 Å²	122.4	68%	0.681	64%	0.635	S	S	*	*	H	α-helix	trans	-75.1	-21.6	177.1	51.2	0	0	0	0	112.9	R225 E226	R225-T229 PolarHBondContact O-N 2.79Å; R225-T229 VanDerWaalsContact O-N 3.12Å; R225-T229 PolarHBondContact O-OG1 3.44Å; E226-T229 PolarHBondContact O-OG1 3.41Å; E226-T229 VanDerWaalsContact O-OG1 3.04Å
230	S	54.8	Low	64.8	Low	88 Å²	88	123.3 Å²	123.3	62%	0.615	65%	0.653	S	S	*	*	H	α-helix	trans	-86.7	-23.8	174.7	47.3	0	0	0	0	113.8	E226 A227 S228	E226-S230 PolarHBondContact O-OG 3.3Å; A227-S230 PolarHBondContact O-OG 3.25Å; S228-S230 VanDerWaalsContact C-N 3.32Å
231	N	52.5	Low	63.6	Low	129 Å²	129	126.8 Å²	126.8	69%	0.69	67%	0.666	S	S	*	*			trans	-102.6	52.9	177.1	-85.5	-4.4	0	0	0	113	S233	N231-S233 PolarHBondContact O-N 3.26Å
232	S	48.8	Very low	62.4	Low	114 Å²	114	125.6 Å²	125.6	80%	0.797	67%	0.674	S	S	*	*			trans	-79.3	59	167.8	175.3	0	0	0	0	111.8
233	S	53	Low	61.7	Low	91 Å²	91	131.6 Å²	131.6	64%	0.636	70%	0.699	S	S	*	*			trans	-121.3	91.9	147	65.8	0	0	0	0	106.2	N231 Q235	N231-S233 PolarHBondContact O-N 3.26Å; S233-Q235 PolarHBondContact O-N 3.31Å
234	R	52.6	Low	61.1	Low	246 Å²	246	131.5 Å²	131.5	93%	0.928	69%	0.692	S	S	*	*			trans	-54.9	96.8	165.7	-92.2	179.5	170.3	174.2	-2.8	106.7	E236	R234-E236 PolarHBondContact O-N 3.49Å; R234-E236 VanDerWaalsContact O-N 3.12Å
235	Q	58.6	Low	61	Low	172 Å²	172	135.6 Å²	135.6	80%	0.804	71%	0.707	S	S	*	*			trans	-64	113.5	159.9	-72.5	-167.3	-25.3	0	0	105.2	S233 R237	S233-Q235 PolarHBondContact O-N 3.31Å; Q235-R237 PolarHBondContact O-N 3.02Å
236	E	52.2	Low	61.1	Low	185 Å²	185	129.1 Å²	129.1	86%	0.864	69%	0.687	S	S	*	*			trans	-52.1	106.8	166.8	-75.9	-176.1	158.1	0	0	106.7	R234 P238	R234-E236 PolarHBondContact O-N 3.49Å; R234-E236 VanDerWaalsContact O-N 3.12Å; E236-P238 WeakPolarHBondContact O-CD 3.31Å
237	R	62.7	Low	61.8	Low	226 Å²	226	134.2 Å²	134.2	85%	0.853	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-60.8	125.5	173.6	-70.2	-177.2	179.9	-178.8	-0.3	105.7	Q235	Q235-R237 PolarHBondContact O-N 3.02Å
238	P	68.8	Low	62.7	Low	108 Å²	108	135.2 Å²	135.2	70%	0.701	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-54.7	138.1	177.8	20.3	-29.9	0	0	0	108.5	E236 V240	E236-P238 WeakPolarHBondContact O-CD 3.31Å; P238-V240 PolarHBondContact O-N 3.06Å; P238-V240 VanDerWaalsContact O-N 3.11Å
239	P	69.8	Low	63.7	Low	123 Å²	123	136.8 Å²	136.8	80%	0.799	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-55.2	122.3	-175.6	20.7	-31.9	0	0	0	109.6	K241	P239-K241 PolarHBondContact O-N 2.99Å
240	V	68.1	Low	64.6	Low	133 Å²	133	134.4 Å²	134.4	81%	0.806	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-69.5	116.2	-179.5	-159.1	0	0	0	0	107.3	P238	P238-V240 PolarHBondContact O-N 3.06Å; P238-V240 VanDerWaalsContact O-N 3.11Å
241	K	64.8	Low	65.3	Low	177 Å²	177	134 Å²	134	77%	0.77	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-70.8	129.2	174.4	-65.2	-178.7	-178.5	-178.4	0	108.3	P239 F243	P239-K241 PolarHBondContact O-N 2.99Å; K241-F243 PolarHBondContact O-N 3.01Å
242	P	64.5	Low	66.5	Low	100 Å²	100	129.7 Å²	129.7	65%	0.649	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-60.7	129.7	174.1	24.6	-31.8	0	0	0	109.4
243	F	66.1	Low	67.5	Low	168 Å²	168	132.7 Å²	132.7	74%	0.737	67%	0.665	S	S	*	*			trans	-110.7	144.4	175.7	70.3	-87.3	0	0	0	109.8	K241	K241-F243 PolarHBondContact O-N 3.01Å
244	I	66	Low	68.2	Low	72 Å²	72	132.5 Å²	132.5	37%	0.369	66%	0.66	S	S	.	*			trans	-99.3	119.9	174.9	-60.3	176.6	0	0	0	107.5	T246 F255 Y259	I244-T246 HydrophobicContact CG2-CG2 3.88Å; I244-T246 PolarHBondContact O-N 3Å; I244-F255 HydrophobicContact CD1-CB 4.29Å; I244-Y259 HydrophobicContact CD1-CD2 3.97Å; I244-Y259 HydrophobicContact CD1-CG 4.43Å
245	L	72.3	Confident	68.9	Low	157 Å²	157	125.7 Å²	125.7	82%	0.822	64%	0.637	S	S	*	*			trans	-75.1	106.9	170.7	-173.2	64.5	0	0	0	108.5
246	T	74.9	Confident	69.3	Low	36 Å²	36	119.4 Å²	119.4	22%	0.221	62%	0.619	C	S	.	*			trans	-100.3	147.5	-178.2	47.5	0	0	0	0	110.6	I244 Q251 A252 F255	I244-T246 HydrophobicContact CG2-CG2 3.88Å; I244-T246 PolarHBondContact O-N 3Å; T246-Q251 HydrophobicContact CG2-CB 3.82Å; T246-A252 WeakPolarHBondContact OG1-CA 3.15Å; T246-A252 VanDerWaalsContact OG1-CB 3.22Å; T246-A252 WeakPolarHBondContact OG1-CB 3.47Å; T246-A252 PolarHBondContact OG1-N 3.29Å; T246-F255 HydrophobicContact CG2-CB 4.2Å
247	R	76	Confident	69.9	Low	244 Å²	244	114.5 Å²	114.5	92%	0.921	61%	0.609	S	S	*	*	S	Bend	trans	-74.9	-26.6	-175.8	-83.9	-176.6	175.6	146.7	-2.4	113.3
248	N	79.3	Confident	69.9	Low	78 Å²	78	104.8 Å²	104.8	42%	0.417	58%	0.58	S	S	.	*	S	Bend	trans	-140.6	161.9	-177.5	64.4	15.8	0	0	0	112.3	A250 Q251 A252	N248-A250 PolarHBondContact O-N 3.38Å; N248-Q251 PolarHBondContact O-N 3.5Å; N248-Q251 WeakPolarHBondContact OD1-CB 3.3Å; N248-Q251 VanDerWaalsContact OD1-CD 3.23Å; N248-Q251 WeakPolarHBondContact OD1-CG 3.5Å; N248-Q251 PolarHBondContact OD1-N 3.24Å; N248-Q251 PolarHBondContact OD1-OE1 3.11Å; N248-A252 PolarHBondContact O-N 3.07Å
249	T	76.3	Confident	69.2	Low	114 Å²	114	107.9 Å²	107.9	70%	0.699	58%	0.579	S	S	*	*	H	α-helix	trans	-63.6	-28.3	-175.6	54.9	0	0	0	0	113	K253	T249-K253 WeakPolarHBondContact O-CG 3.46Å; T249-K253 PolarHBondContact O-N 3.43Å
250	A	73.8	Confident	69	Low	61 Å²	61	106.7 Å²	106.7	50%	0.504	57%	0.571	S	S	.	*	H	α-helix	trans	-67.9	-49	175.5	0	0	0	0	0	111.6	N248 A252 K253 V254	N248-A250 PolarHBondContact O-N 3.38Å; A250-A252 VanDerWaalsContact C-N 3.29Å; A250-A252 PolarHBondContact O-N 3.1Å; A250-K253 PolarHBondContact O-N 3.14Å; A250-V254 PolarHBondContact O-N 3.04Å
251	Q	70.6	Confident	68.7	Low	80 Å²	80	103.7 Å²	103.7	37%	0.374	56%	0.556	S	S	.	*	H	α-helix	trans	-62.9	-37.9	174.5	-72.6	168.3	1.1	0	0	111.3	T246 N248 K253 V254 F255	T246-Q251 HydrophobicContact CG2-CB 3.82Å; N248-Q251 PolarHBondContact O-N 3.5Å; N248-Q251 WeakPolarHBondContact OD1-CB 3.3Å; N248-Q251 VanDerWaalsContact OD1-CD 3.23Å; N248-Q251 WeakPolarHBondContact OD1-CG 3.5Å; N248-Q251 PolarHBondContact OD1-N 3.24Å; N248-Q251 PolarHBondContact OD1-OE1 3.11Å; Q251-K253 VanDerWaalsContact C-N 3.27Å; Q251-K253 PolarHBondContact O-N 3.17Å; Q251-V254 PolarHBondContact O-N 3.49Å; Q251-F255 HydrophobicContact CB-CD2 4.21Å; Q251-F255 WeakPolarHBondContact O-CB 3.4Å; Q251-F255 WeakPolarHBondContact O-CD2 3.39Å; Q251-F255 PolarHBondContact O-N 3.12Å
252	A	76.9	Confident	68.8	Low	39 Å²	39	102.7 Å²	102.7	32%	0.322	56%	0.558	S	S	.	*	H	α-helix	trans	-59.4	-36.7	175.8	0	0	0	0	0	112.6	T246 N248 A250 G256	T246-A252 WeakPolarHBondContact OG1-CA 3.15Å; T246-A252 VanDerWaalsContact OG1-CB 3.22Å; T246-A252 WeakPolarHBondContact OG1-CB 3.47Å; T246-A252 PolarHBondContact OG1-N 3.29Å; N248-A252 PolarHBondContact O-N 3.07Å; A250-A252 VanDerWaalsContact C-N 3.29Å; A250-A252 PolarHBondContact O-N 3.1Å; A252-G256 WeakPolarHBondContact O-CA 3.42Å; A252-G256 PolarHBondContact O-N 3.41Å
253	K	71.3	Confident	68.9	Low	177 Å²	177	102.5 Å²	102.5	77%	0.77	57%	0.566	S	S	*	*	H	α-helix	trans	-70.4	-34.2	178	-74.8	176.2	-178.4	-178.7	0	113	T249 A250 Q251	T249-K253 WeakPolarHBondContact O-CG 3.46Å; T249-K253 PolarHBondContact O-N 3.43Å; A250-K253 PolarHBondContact O-N 3.14Å; Q251-K253 VanDerWaalsContact C-N 3.27Å; Q251-K253 PolarHBondContact O-N 3.17Å
254	V	67.1	Low	69	Low	86 Å²	86	101.4 Å²	101.4	52%	0.521	57%	0.573	S	S	.	*	H	α-helix	trans	-82.6	-45.2	-179	179.6	0	0	0	0	111.4	A250 Q251	A250-V254 PolarHBondContact O-N 3.04Å; Q251-V254 PolarHBondContact O-N 3.49Å
255	F	67.8	Low	69.3	Low	103 Å²	103	101.4 Å²	101.4	45%	0.452	57%	0.572	S	S	.	*	H	α-helix	trans	-108.6	-12.3	-169.5	-57	-69.3	0	0	0	114.1	I244 T246 Q251 A257	I244-F255 HydrophobicContact CD1-CB 4.29Å; T246-F255 HydrophobicContact CG2-CB 4.2Å; Q251-F255 HydrophobicContact CB-CD2 4.21Å; Q251-F255 WeakPolarHBondContact O-CB 3.4Å; Q251-F255 WeakPolarHBondContact O-CD2 3.39Å; Q251-F255 PolarHBondContact O-N 3.12Å; F255-A257 VanDerWaalsContact C-N 3.35Å; F255-A257 PolarHBondContact O-N 3.08Å
256	G	66.6	Low	69.6	Low	41 Å²	41	97.5 Å²	97.5	42%	0.423	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.2	-5.8	-176	0	0	0	0	0	115.1	A252 G258	A252-G256 WeakPolarHBondContact O-CA 3.42Å; A252-G256 PolarHBondContact O-N 3.41Å; G256-G258 PolarHBondContact O-N 3.22Å; G256-G258 VanDerWaalsContact O-N 3.16Å
257	A	64.1	Low	69.5	Low	81 Å²	81	101.2 Å²	101.2	67%	0.669	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	10.7	179	0	0	0	0	0	114.3	F255	F255-A257 VanDerWaalsContact C-N 3.35Å; F255-A257 PolarHBondContact O-N 3.08Å
258	G	62.9	Low	69.6	Low	23 Å²	23	93.4 Å²	93.4	24%	0.237	56%	0.56	C	S	.	*			trans	84.6	139.8	-171.1	0	0	0	0	0	111	G256 P260 S261	G256-G258 PolarHBondContact O-N 3.22Å; G256-G258 VanDerWaalsContact O-N 3.16Å; G258-P260 CarbonylContact O-C 3.27Å; G258-P260 VanDerWaalsContact O-C 3.27Å; G258-S261 PolarHBondContact O-N 2.61Å; G258-S261 VanDerWaalsContact O-N 3.08Å
259	Y	55.1	Low	69.8	Low	172 Å²	172	93.2 Å²	93.2	68%	0.675	56%	0.559	S	S	*	*	S	Bend	trans	-95.7	137.7	-175.4	-164.1	-91	0	0	0	111.5	I244	I244-Y259 HydrophobicContact CD1-CD2 3.97Å; I244-Y259 HydrophobicContact CD1-CG 4.43Å
260	P	63.8	Low	70	Confident	99 Å²	99	93.1 Å²	93.1	64%	0.643	55%	0.546	S	S	*	.	S	Bend	cis	-73.8	140.5	-19.5	-11.9	29.1	0	0	0	110.5	G258 L262	G258-P260 CarbonylContact O-C 3.27Å; G258-P260 VanDerWaalsContact O-C 3.27Å; P260-L262 PolarHBondContact O-N 2.67Å
261	S	63.1	Low	70.1	Confident	70 Å²	70	96.5 Å²	96.5	49%	0.49	55%	0.547	S	S	.	.			trans	-65.6	111.4	170.8	48.2	0	0	0	0	108	G258 A263	G258-S261 PolarHBondContact O-N 2.61Å; G258-S261 VanDerWaalsContact O-N 3.08Å; S261-A263 PolarHBondContact O-N 2.65Å
262	L	65.4	Low	70.6	Confident	155 Å²	155	97.6 Å²	97.6	81%	0.812	55%	0.552	S	S	*	*			trans	-58.6	127.8	177.2	-74.6	160.3	0	0	0	108.5	P260 T264	P260-L262 PolarHBondContact O-N 2.67Å; L262-T264 PolarHBondContact O-N 3.16Å; L262-T264 PolarHBondContact O-OG1 3.07Å; L262-T264 VanDerWaalsContact O-OG1 3.14Å
263	A	67.9	Low	70.7	Confident	97 Å²	97	100 Å²	100	80%	0.802	56%	0.556	S	S	*	*			trans	-52.8	109.6	177	0	0	0	0	0	109	S261 M265	S261-A263 PolarHBondContact O-N 2.65Å; A263-M265 PolarHBondContact O-N 3.23Å
264	T	67.1	Low	70.8	Confident	145 Å²	145	94.4 Å²	94.4	89%	0.89	53%	0.533	S	S	*	.			trans	-82.4	-8.6	-171.8	-36	0	0	0	0	111.9	L262	L262-T264 PolarHBondContact O-N 3.16Å; L262-T264 PolarHBondContact O-OG1 3.07Å; L262-T264 VanDerWaalsContact O-OG1 3.14Å
265	M	73	Confident	71	Confident	72 Å²	72	98 Å²	98	36%	0.355	54%	0.537	S	S	.	.	S	Bend	trans	-150.4	142.3	-174.8	-169.3	167.3	59.8	0	0	110	A263 D269 W270 Q273	A263-M265 PolarHBondContact O-N 3.23Å; M265-D269 HydrophobicContact CG-CB 3.25Å; M265-D269 HydrophobicContact SD-CB 3.85Å; M265-W270 VanDerWaalsContact CE-CA 3.45Å; M265-W270 HydrophobicContact CE-CB 3.57Å; M265-W270 HydrophobicContact CE-CG 3.91Å; M265-Q273 PolarHBondContact SD-OE1 3.34Å; M265-Q273 VanDerWaalsContact SD-OE1 3.39Å
266	T	78.7	Confident	71.3	Confident	74 Å²	74	101.9 Å²	101.9	45%	0.454	55%	0.553	S	S	.	*			trans	-79.7	162.2	174.6	60.6	0	0	0	0	111.6	S268 D269 W270	T266-S268 PolarHBondContact O-N 3.39Å; T266-S268 PolarHBondContact OG1-OG 3.32Å; T266-D269 PolarHBondContact N-OD2 2.92Å; T266-D269 PolarHBondContact O-N 3.06Å; T266-D269 PolarHBondContact OG1-N 2.97Å; T266-D269 PolarHBondContact OG1-OD2 3.02Å; T266-W270 PolarHBondContact O-N 3.15Å
267	V	73.1	Confident	71.7	Confident	115 Å²	115	108.4 Å²	108.4	70%	0.697	57%	0.567	S	S	*	*	H	α-helix	trans	-58.4	-36.2	177.7	-179.7	0	0	0	0	111.4	Y271	V267-Y271 HydrophobicContact CG1-CD2 4.43Å; V267-Y271 PolarHBondContact O-N 2.98Å; V267-Y271 VanDerWaalsContact O-N 3.15Å
268	S	78.4	Confident	71.8	Confident	79 Å²	79	107.7 Å²	107.7	55%	0.552	57%	0.567	S	S	*	*	H	α-helix	trans	-64.9	-47.4	175.1	38.7	0	0	0	0	112.3	T266 W270 Y271 E272	T266-S268 PolarHBondContact O-N 3.39Å; T266-S268 PolarHBondContact OG1-OG 3.32Å; S268-W270 VanDerWaalsContact C-N 3.29Å; S268-W270 PolarHBondContact O-N 3.34Å; S268-Y271 WeakPolarHBondContact O-CB 3.36Å; S268-Y271 PolarHBondContact O-N 3Å; S268-Y271 VanDerWaalsContact O-N 3.16Å; S268-E272 PolarHBondContact O-N 3.1Å
269	D	82.5	Confident	71.8	Confident	75 Å²	75	109.7 Å²	109.7	40%	0.401	58%	0.581	S	S	.	*	H	α-helix	trans	-63	-38.3	179.8	-62.9	-30.1	0	0	0	111.1	M265 T266 E272 Q273	M265-D269 HydrophobicContact CG-CB 3.25Å; M265-D269 HydrophobicContact SD-CB 3.85Å; T266-D269 PolarHBondContact N-OD2 2.92Å; T266-D269 PolarHBondContact O-N 3.06Å; T266-D269 PolarHBondContact OG1-N 2.97Å; T266-D269 PolarHBondContact OG1-OD2 3.02Å; D269-E272 PolarHBondContact O-N 3.15Å; D269-Q273 VanDerWaalsContact O-CB 3.3Å; D269-Q273 WeakPolarHBondContact O-CB 3.31Å; D269-Q273 PolarHBondContact O-N 3.2Å
270	W	79.9	Confident	71.8	Confident	112 Å²	112	104.8 Å²	104.8	42%	0.424	57%	0.566	S	S	.	*	H	α-helix	trans	-59.8	-46.6	174.1	-174.6	89.6	0	0	0	111.9	M265 T266 S268 H274	M265-W270 VanDerWaalsContact CE-CA 3.45Å; M265-W270 HydrophobicContact CE-CB 3.57Å; M265-W270 HydrophobicContact CE-CG 3.91Å; T266-W270 PolarHBondContact O-N 3.15Å; S268-W270 VanDerWaalsContact C-N 3.29Å; S268-W270 PolarHBondContact O-N 3.34Å; W270-H274 AromaticContact CD1-CE1 3.59Å; W270-H274 AromaticContact CD1-ND1 3.8Å; W270-H274 AromaticContact CD2-CE1 3.98Å; W270-H274 AromaticContact CD2-ND1 3.62Å; W270-H274 AromaticContact CE2-CE1 3.36Å; W270-H274 AromaticContact CE2-ND1 3.42Å; W270-H274 AromaticContact CG-ND1 3.86Å; W270-H274 AromaticContact CZ2-CE1 3.82Å; W270-H274 AromaticContact CZ2-ND1 3.88Å; W270-H274 AromaticContact NE1-CE1 3.1Å; W270-H274 PolarHBondContact NE1-CE1 2.91Å; W270-H274 AromaticContact NE1-ND1 3.55Å; W270-H274 AromaticContact NE1-NE2 3.96Å; W270-H274 PolarHBondContact O-N 3.45Å; W270-H274 PolarHBondContact O-ND1 3.03Å
271	Y	76.9	Confident	71.6	Confident	132 Å²	132	105.5 Å²	105.5	52%	0.518	57%	0.571	S	S	.	*	H	α-helix	trans	-63	-44.1	178.1	-109.1	-87.7	0	0	0	111.7	V267 S268 H274 R275 L280	V267-Y271 HydrophobicContact CG1-CD2 4.43Å; V267-Y271 PolarHBondContact O-N 2.98Å; V267-Y271 VanDerWaalsContact O-N 3.15Å; S268-Y271 WeakPolarHBondContact O-CB 3.36Å; S268-Y271 PolarHBondContact O-N 3Å; S268-Y271 VanDerWaalsContact O-N 3.16Å; Y271-H274 PolarHBondContact O-N 3.34Å; Y271-R275 VanDerWaalsContact O-CB 3.29Å; Y271-R275 WeakPolarHBondContact O-CB 3.42Å; Y271-R275 PolarHBondContact O-N 2.94Å; Y271-L280 HydrophobicContact CD1-CD2 3.97Å; Y271-L280 HydrophobicContact CE1-CD2 3.74Å
272	E	80.1	Confident	71	Confident	103 Å²	103	109.2 Å²	109.2	48%	0.481	59%	0.585	S	S	.	*	H	α-helix	trans	-67.9	-38.5	-178.3	-122.8	173.8	-168.7	0	0	112.6	S268 D269 R275 K276	S268-E272 PolarHBondContact O-N 3.1Å; D269-E272 PolarHBondContact O-N 3.15Å; E272-R275 VanDerWaalsContact CG-NH2 3.32Å; E272-R275 IonicContact OE1-NH2 3.28Å; E272-R275 PolarHBondContact OE1-NH2 2.98Å; E272-K276 PolarHBondContact O-N 2.77Å
273	Q	78.9	Confident	70.1	Confident	90 Å²	90	109.8 Å²	109.8	42%	0.421	58%	0.584	S	S	.	*	H	α-helix	trans	-63.5	-50.2	174.5	-170	171.1	-25.6	0	0	110.8	M265 D269 R275 K276 Y277	M265-Q273 PolarHBondContact SD-OE1 3.34Å; M265-Q273 VanDerWaalsContact SD-OE1 3.39Å; D269-Q273 VanDerWaalsContact O-CB 3.3Å; D269-Q273 WeakPolarHBondContact O-CB 3.31Å; D269-Q273 PolarHBondContact O-N 3.2Å; Q273-R275 VanDerWaalsContact C-N 3.32Å; Q273-R275 PolarHBondContact O-N 3.14Å; Q273-K276 WeakPolarHBondContact O-CB 3.44Å; Q273-K276 PolarHBondContact O-N 3.25Å; Q273-Y277 HydrophobicContact CG-CD2 3.81Å; Q273-Y277 HydrophobicContact CG-CE2 3.61Å; Q273-Y277 WeakPolarHBondContact O-CD2 3.47Å; Q273-Y277 PolarHBondContact O-N 3.49Å; Q273-Y277 VanDerWaalsContact O-N 3.08Å
274	H	73.3	Confident	69.1	Low	58 Å²	58	108.8 Å²	108.8	27%	0.269	58%	0.583	S	S	.	*	H	α-helix	trans	-67	-32.1	-180	-74.4	82.9	0	0	0	113	W270 Y271 Y277 G278 A279	W270-H274 AromaticContact CD1-CE1 3.59Å; W270-H274 AromaticContact CD1-ND1 3.8Å; W270-H274 AromaticContact CD2-CE1 3.98Å; W270-H274 AromaticContact CD2-ND1 3.62Å; W270-H274 AromaticContact CE2-CE1 3.36Å; W270-H274 AromaticContact CE2-ND1 3.42Å; W270-H274 AromaticContact CG-ND1 3.86Å; W270-H274 AromaticContact CZ2-CE1 3.82Å; W270-H274 AromaticContact CZ2-ND1 3.88Å; W270-H274 AromaticContact NE1-CE1 3.1Å; W270-H274 PolarHBondContact NE1-CE1 2.91Å; W270-H274 AromaticContact NE1-ND1 3.55Å; W270-H274 AromaticContact NE1-NE2 3.96Å; W270-H274 PolarHBondContact O-N 3.45Å; W270-H274 PolarHBondContact O-ND1 3.03Å; Y271-H274 PolarHBondContact O-N 3.34Å; H274-Y277 PolarHBondContact O-N 2.91Å; H274-G278 PolarHBondContact O-N 2.88Å; H274-A279 PolarHBondContact O-N 3.05Å; H274-A279 VanDerWaalsContact O-N 3.14Å
275	R	72.6	Confident	68.1	Low	162 Å²	162	109.9 Å²	109.9	61%	0.611	58%	0.582	S	S	*	*	H	α-helix	trans	-64.7	-43	171.1	-171.5	-179.4	66.9	-169.4	-4.6	111.7	Y271 E272 Q273 Y277 G278	Y271-R275 VanDerWaalsContact O-CB 3.29Å; Y271-R275 WeakPolarHBondContact O-CB 3.42Å; Y271-R275 PolarHBondContact O-N 2.94Å; E272-R275 VanDerWaalsContact CG-NH2 3.32Å; E272-R275 IonicContact OE1-NH2 3.28Å; E272-R275 PolarHBondContact OE1-NH2 2.98Å; Q273-R275 VanDerWaalsContact C-N 3.32Å; Q273-R275 PolarHBondContact O-N 3.14Å; R275-Y277 VanDerWaalsContact C-N 3.32Å; R275-Y277 PolarHBondContact O-N 3.32Å; R275-G278 PolarHBondContact O-N 3.11Å
276	K	74.3	Confident	66.9	Low	184 Å²	184	110.8 Å²	110.8	80%	0.8	60%	0.601	S	S	*	*	H	α-helix	trans	-62.5	-36.8	176.1	-92.3	-175.9	176.4	175	0	112.9	E272 Q273 G278	E272-K276 PolarHBondContact O-N 2.77Å; Q273-K276 WeakPolarHBondContact O-CB 3.44Å; Q273-K276 PolarHBondContact O-N 3.25Å; K276-G278 VanDerWaalsContact C-N 3.27Å; K276-G278 PolarHBondContact O-N 3.33Å
277	Y	74.4	Confident	65.6	Low	179 Å²	179	117 Å²	117	70%	0.702	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	4.1	178.6	-71	-70.1	0	0	0	113.8	Q273 H274 R275 A279	Q273-Y277 HydrophobicContact CG-CD2 3.81Å; Q273-Y277 HydrophobicContact CG-CE2 3.61Å; Q273-Y277 WeakPolarHBondContact O-CD2 3.47Å; Q273-Y277 PolarHBondContact O-N 3.49Å; Q273-Y277 VanDerWaalsContact O-N 3.08Å; H274-Y277 PolarHBondContact O-N 2.91Å; R275-Y277 VanDerWaalsContact C-N 3.32Å; R275-Y277 PolarHBondContact O-N 3.32Å; Y277-A279 PolarHBondContact O-N 3.12Å; Y277-A279 VanDerWaalsContact O-N 3.14Å
278	G	67	Low	64.6	Low	65 Å²	65	114 Å²	114	67%	0.67	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.8	16.8	177.7	0	0	0	0	0	114.3	H274 R275 K276 L280	H274-G278 PolarHBondContact O-N 2.88Å; R275-G278 PolarHBondContact O-N 3.11Å; K276-G278 VanDerWaalsContact C-N 3.27Å; K276-G278 PolarHBondContact O-N 3.33Å; G278-L280 VanDerWaalsContact C-N 3.31Å
279	A	61.9	Low	63.7	Low	66 Å²	66	113.9 Å²	113.9	55%	0.545	61%	0.605	S	S	.	*			trans	-88.3	3	-174.9	0	0	0	0	0	113.3	H274 Y277	H274-A279 PolarHBondContact O-N 3.05Å; H274-A279 VanDerWaalsContact O-N 3.14Å; Y277-A279 PolarHBondContact O-N 3.12Å; Y277-A279 VanDerWaalsContact O-N 3.14Å
280	L	55.6	Low	62.5	Low	68 Å²	68	115.3 Å²	115.3	36%	0.356	62%	0.618	S	S	.	*	S	Bend	trans	-100.9	123.2	178.3	-147.9	72.6	0	0	0	109.2	Y271 G278 D282	Y271-L280 HydrophobicContact CD1-CD2 3.97Å; Y271-L280 HydrophobicContact CE1-CD2 3.74Å; G278-L280 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 3.17Å
281	P	59.1	Low	61.4	Low	114 Å²	114	117.4 Å²	117.4	74%	0.74	63%	0.633	S	S	*	*			trans	-63.7	121.4	178.5	24.9	-31.7	0	0	0	109.3	Q283	P281-Q283 PolarHBondContact O-N 3.2Å
282	D	50	Low	60.5	Low	148 Å²	148	116.7 Å²	116.7	79%	0.791	63%	0.634	S	S	*	*	S	Bend	trans	-65.6	-26.6	-173.6	-168	20.2	0	0	0	112	L280	L280-D282 PolarHBondContact O-N 3.17Å
283	Q	47.8	Very low	59.3	Low	167 Å²	167	118.5 Å²	118.5	78%	0.78	64%	0.64	S	S	*	*	S	Bend	trans	-151.1	128.3	-176.7	-75.2	168.6	22.1	0	0	112.2	P281	P281-Q283 PolarHBondContact O-N 3.2Å
284	G	45.9	Very low	58.7	Low	76 Å²	76	123.6 Å²	123.6	78%	0.784	66%	0.656	S	S	*	*			trans	62.9	125.8	146.4	0	0	0	0	0	119.5	A286	G284-A286 PolarHBondContact O-N 3.33Å; G284-A286 VanDerWaalsContact O-N 3.11Å
285	I	46.1	Very low	58.3	Low	169 Å²	169	127.7 Å²	127.7	87%	0.867	67%	0.673	S	S	*	*			trans	-31.7	112.1	169.9	-58	161.2	0	0	0	111.9	K287	I285-K287 PolarHBondContact O-N 3.27Å
286	A	47.6	Very low	58	Low	91 Å²	91	122.4 Å²	122.4	75%	0.752	66%	0.664	S	S	*	*			trans	-65.6	121.8	172.6	0	0	0	0	0	109.2	G284 A288	G284-A286 PolarHBondContact O-N 3.33Å; G284-A286 VanDerWaalsContact O-N 3.11Å; A286-A288 PolarHBondContact O-N 3.01Å
287	K	53	Low	57.7	Low	204 Å²	204	115.9 Å²	115.9	89%	0.887	64%	0.644	S	S	*	*			trans	-69.4	97.1	171.1	-72.9	-179.7	177	178.6	0	108.5	I285	I285-K287 PolarHBondContact O-N 3.27Å
288	A	51	Low	57.4	Low	52 Å²	52	113.3 Å²	113.3	43%	0.43	64%	0.638	S	S	.	*			trans	-61.7	146.6	166.4	0	0	0	0	0	110.1	A286 F293	A286-A288 PolarHBondContact O-N 3.01Å; A288-F293 HydrophobicContact CB-CD2 4.39Å; A288-F293 HydrophobicContact CB-CE2 3.76Å; A288-F293 HydrophobicContact CB-CZ 4.46Å
289	T	59.6	Low	57.4	Low	76 Å²	76	116.6 Å²	116.6	47%	0.466	64%	0.636	S	S	.	*			trans	-79.1	149	-173.7	53	0	0	0	0	111.4	E291 E292	T289-E291 PolarHBondContact O-N 3.43Å; T289-E292 PolarHBondContact N-OE2 3.49Å; T289-E292 PolarHBondContact O-N 3.23Å; T289-E292 PolarHBondContact OG1-OE2 2.97Å
290	P	57.5	Low	57.5	Low	106 Å²	106	119 Å²	119	69%	0.688	64%	0.637	S	S	*	*	H	α-helix	trans	-58.2	-22	-177.2	-26.8	35.2	0	0	0	115.5	R294	P290-R294 PolarHBondContact O-N 3.18Å
291	E	56.3	Low	58.1	Low	155 Å²	155	121.9 Å²	121.9	72%	0.724	65%	0.648	S	S	*	*	H	α-helix	trans	-74.4	-32.5	176	-74.8	-157.3	155.8	0	0	113.4	T289 F293 R294 K295	T289-E291 PolarHBondContact O-N 3.43Å; E291-F293 VanDerWaalsContact C-N 3.34Å; E291-R294 PolarHBondContact O-N 3.26Å; E291-K295 PolarHBondContact O-N 3.27Å
292	E	57.7	Low	58.4	Low	117 Å²	117	122.5 Å²	122.5	55%	0.547	64%	0.641	S	S	.	*	H	α-helix	trans	-69.2	-36.4	178.2	-69.6	168.3	139.9	0	0	110.9	T289 A296	T289-E292 PolarHBondContact N-OE2 3.49Å; T289-E292 PolarHBondContact O-N 3.23Å; T289-E292 PolarHBondContact OG1-OE2 2.97Å; E292-A296 WeakPolarHBondContact O-CB 3.37Å; E292-A296 PolarHBondContact O-N 3.48Å; E292-A296 VanDerWaalsContact O-N 3.16Å
293	F	55.5	Low	59.1	Low	141 Å²	141	121.6 Å²	121.6	62%	0.618	63%	0.632	S	S	*	*	H	α-helix	trans	-66	-38.7	173.4	-82.4	-77.6	0	0	0	113	A288 E291 A296 A297	A288-F293 HydrophobicContact CB-CD2 4.39Å; A288-F293 HydrophobicContact CB-CE2 3.76Å; A288-F293 HydrophobicContact CB-CZ 4.46Å; E291-F293 VanDerWaalsContact C-N 3.34Å; F293-A296 PolarHBondContact O-N 3.47Å; F293-A297 WeakPolarHBondContact O-CB 3.44Å; F293-A297 PolarHBondContact O-N 3.46Å
294	R	65.6	Low	59.8	Low	197 Å²	197	119 Å²	119	74%	0.743	62%	0.62	S	S	*	*	H	α-helix	trans	-67.8	-40.7	178.9	-85.3	-176.8	172.3	178.8	-2.7	112.8	P290 E291 A297 Q298	P290-R294 PolarHBondContact O-N 3.18Å; E291-R294 PolarHBondContact O-N 3.26Å; R294-A297 PolarHBondContact O-N 3.12Å; R294-Q298 PolarHBondContact O-N 3.12Å; R294-Q298 VanDerWaalsContact O-N 3.14Å
295	K	64.9	Low	60.8	Low	145 Å²	145	122.1 Å²	122.1	63%	0.63	61%	0.614	S	S	*	*	H	α-helix	trans	-66.5	-38.4	175.9	-83.3	-175.8	175.4	176.1	0	112.5	E291 Q299	E291-K295 PolarHBondContact O-N 3.27Å; K295-Q299 WeakPolarHBondContact O-CG 3.49Å; K295-Q299 PolarHBondContact O-N 3.16Å
296	A	66.6	Low	61.6	Low	50 Å²	50	121.2 Å²	121.2	41%	0.413	60%	0.604	S	S	.	*	H	α-helix	trans	-65.4	-40.3	176.3	0	0	0	0	0	111.9	E292 F293 Q299 Q300	E292-A296 WeakPolarHBondContact O-CB 3.37Å; E292-A296 PolarHBondContact O-N 3.48Å; E292-A296 VanDerWaalsContact O-N 3.16Å; F293-A296 PolarHBondContact O-N 3.47Å; A296-Q299 PolarHBondContact O-N 3.26Å; A296-Q300 PolarHBondContact O-N 2.92Å; A296-Q300 VanDerWaalsContact O-N 3.12Å
297	A	67.9	Low	62.2	Low	47 Å²	47	123.3 Å²	123.3	39%	0.388	60%	0.598	S	S	.	*	H	α-helix	trans	-65.7	-43.7	178.1	0	0	0	0	0	113	F293 R294 Q299 Q300 E301	F293-A297 WeakPolarHBondContact O-CB 3.44Å; F293-A297 PolarHBondContact O-N 3.46Å; R294-A297 PolarHBondContact O-N 3.12Å; A297-Q299 VanDerWaalsContact C-N 3.34Å; A297-Q299 PolarHBondContact O-N 3.49Å; A297-Q300 WeakPolarHBondContact O-CB 3.45Å; A297-Q300 PolarHBondContact O-N 3.35Å; A297-Q300 VanDerWaalsContact O-N 3.16Å; A297-E301 PolarHBondContact O-N 3.2Å
298	Q	68.9	Low	62.3	Low	125 Å²	125	120.5 Å²	120.5	58%	0.584	59%	0.588	S	S	*	*	H	α-helix	trans	-65.3	-36.5	177.3	-77	-179.5	-34.1	0	0	112.9	R294 Q300 E302	R294-Q298 PolarHBondContact O-N 3.12Å; R294-Q298 VanDerWaalsContact O-N 3.14Å; Q298-Q300 VanDerWaalsContact C-N 3.28Å; Q298-Q300 PolarHBondContact O-N 3.18Å; Q298-E302 PolarHBondContact O-N 3.34Å
299	Q	66.1	Low	62.7	Low	134 Å²	134	123.9 Å²	123.9	63%	0.626	60%	0.595	S	S	*	*	H	α-helix	trans	-68.4	-29.7	174.7	-76.4	-179.2	-7	0	0	112.5	K295 A296 A297 Q303	K295-Q299 WeakPolarHBondContact O-CG 3.49Å; K295-Q299 PolarHBondContact O-N 3.16Å; A296-Q299 PolarHBondContact O-N 3.26Å; A297-Q299 VanDerWaalsContact C-N 3.34Å; A297-Q299 PolarHBondContact O-N 3.49Å; Q299-Q303 WeakPolarHBondContact O-CB 3.43Å; Q299-Q303 PolarHBondContact O-N 3.16Å
300	Q	65.4	Low	62.8	Low	118 Å²	118	125 Å²	125	55%	0.551	60%	0.598	S	S	*	*	H	α-helix	trans	-71.8	-44.8	175.5	-116.3	173.6	-30.2	0	0	111.8	A296 A297 Q298 E302 Q303 E304	A296-Q300 PolarHBondContact O-N 2.92Å; A296-Q300 VanDerWaalsContact O-N 3.12Å; A297-Q300 WeakPolarHBondContact O-CB 3.45Å; A297-Q300 PolarHBondContact O-N 3.35Å; A297-Q300 VanDerWaalsContact O-N 3.16Å; Q298-Q300 VanDerWaalsContact C-N 3.28Å; Q298-Q300 PolarHBondContact O-N 3.18Å; Q300-E302 PolarHBondContact O-N 2.99Å; Q300-Q303 PolarHBondContact O-N 2.83Å; Q300-Q303 VanDerWaalsContact O-N 3.12Å; Q300-E304 WeakPolarHBondContact O-CG 3.35Å; Q300-E304 PolarHBondContact O-N 3.05Å
301	E	67.6	Low	63.2	Low	128 Å²	128	125 Å²	125	60%	0.598	59%	0.593	S	S	*	*	H	α-helix	trans	-60.6	-44.8	176.7	-78.2	176	162.8	0	0	112.1	A297 Q303 E304 E305	A297-E301 PolarHBondContact O-N 3.2Å; E301-Q303 PolarHBondContact O-N 3.35Å; E301-E304 PolarHBondContact O-N 3.21Å; E301-E305 PolarHBondContact O-N 3.48Å
302	E	66.2	Low	63.8	Low	126 Å²	126	124.6 Å²	124.6	59%	0.589	59%	0.59	S	S	*	*	H	α-helix	trans	-65.5	-23.2	176.3	-77.1	-176.8	174.9	0	0	113.5	Q298 Q300	Q298-E302 PolarHBondContact O-N 3.34Å; Q300-E302 PolarHBondContact O-N 2.99Å
303	Q	64.3	Low	64.5	Low	130 Å²	130	124 Å²	124	61%	0.607	59%	0.588	S	S	*	*	H	α-helix	trans	-84.8	-38.5	179	-149.2	165.9	18.4	0	0	111	Q299 Q300 E301 K306 E307	Q299-Q303 WeakPolarHBondContact O-CB 3.43Å; Q299-Q303 PolarHBondContact O-N 3.16Å; Q300-Q303 PolarHBondContact O-N 2.83Å; Q300-Q303 VanDerWaalsContact O-N 3.12Å; E301-Q303 PolarHBondContact O-N 3.35Å; Q303-K306 PolarHBondContact O-N 2.84Å; Q303-E307 PolarHBondContact O-N 3.48Å; Q303-E307 VanDerWaalsContact O-N 3.14Å
304	E	62.4	Low	65.3	Low	113 Å²	113	120.5 Å²	120.5	53%	0.528	58%	0.578	S	S	.	*	H	α-helix	trans	-65.3	-43.6	173.2	-73.4	177.5	-178.6	0	0	111.4	Q300 E301 K306 E307 E308	Q300-E304 WeakPolarHBondContact O-CG 3.35Å; Q300-E304 PolarHBondContact O-N 3.05Å; E301-E304 PolarHBondContact O-N 3.21Å; E304-K306 VanDerWaalsContact C-N 3.31Å; E304-K306 PolarHBondContact O-N 3.06Å; E304-E307 PolarHBondContact O-N 3.44Å; E304-E308 PolarHBondContact O-N 3.06Å
305	E	66.1	Low	65.7	Low	141 Å²	141	115.9 Å²	115.9	66%	0.659	57%	0.567	S	S	*	*	H	α-helix	trans	-59.8	-38.8	175.7	-93.4	-174	157.9	0	0	112.6	E301 E308 E309	E301-E305 PolarHBondContact O-N 3.48Å; E305-E308 PolarHBondContact O-N 3.18Å; E305-E309 WeakPolarHBondContact O-CB 3.5Å; E305-E309 PolarHBondContact O-N 3.14Å
306	K	62.8	Low	66.3	Low	149 Å²	149	113.9 Å²	113.9	65%	0.648	56%	0.56	S	S	*	*	H	α-helix	trans	-70.7	-34.7	177.2	-82.4	178.5	-179.2	165.3	0	113.3	Q303 E304 D310	Q303-K306 PolarHBondContact O-N 2.84Å; E304-K306 VanDerWaalsContact C-N 3.31Å; E304-K306 PolarHBondContact O-N 3.06Å; K306-D310 PolarHBondContact O-N 3.16Å
307	E	60	Low	67	Low	135 Å²	135	118.2 Å²	118.2	63%	0.631	57%	0.566	S	S	*	*	H	α-helix	trans	-69.8	-40	174.5	-78.5	-176.7	167.1	0	0	110.9	Q303 E304 D311	Q303-E307 PolarHBondContact O-N 3.48Å; Q303-E307 VanDerWaalsContact O-N 3.14Å; E304-E307 PolarHBondContact O-N 3.44Å; E307-D311 WeakPolarHBondContact O-CB 3.41Å; E307-D311 PolarHBondContact O-N 3.08Å
308	E	55.9	Low	67.6	Low	146 Å²	146	118.7 Å²	118.7	68%	0.682	57%	0.57	S	S	*	*	H	α-helix	trans	-64.6	-40.3	175.2	-73.4	-163.3	165	0	0	112.8	E304 E305 D311 E312	E304-E308 PolarHBondContact O-N 3.06Å; E305-E308 PolarHBondContact O-N 3.18Å; E308-D311 PolarHBondContact O-N 3.06Å; E308-E312 PolarHBondContact O-N 3.36Å
309	E	59.5	Low	68.3	Low	122 Å²	122	120.9 Å²	120.9	57%	0.57	57%	0.573	S	S	*	*	H	α-helix	trans	-69	-36.3	-179.8	-155.6	178.4	-154.7	0	0	112.3	E305 Q313	E305-E309 WeakPolarHBondContact O-CB 3.5Å; E305-E309 PolarHBondContact O-N 3.14Å; E309-Q313 WeakPolarHBondContact O-CG 3.22Å; E309-Q313 PolarHBondContact O-N 3.39Å; E309-Q313 VanDerWaalsContact O-N 3.16Å
310	D	60.8	Low	69.3	Low	99 Å²	99	119.6 Å²	119.6	53%	0.529	57%	0.567	S	S	.	*	H	α-helix	trans	-70.3	-36.4	174.6	-152.5	25	0	0	0	110.9	K306 T314	K306-D310 PolarHBondContact O-N 3.16Å; D310-T314 WeakPolarHBondContact O-CB 3.02Å; D310-T314 PolarHBondContact O-N 3.06Å; D310-T314 PolarHBondContact O-OG1 3.14Å
311	D	65.8	Low	69.9	Low	108 Å²	108	121.2 Å²	121.2	58%	0.578	57%	0.568	S	S	*	*	H	α-helix	trans	-66.4	-40.7	173.6	-91.7	-9.1	0	0	0	112.3	E307 E308 T314 L315	E307-D311 WeakPolarHBondContact O-CB 3.41Å; E307-D311 PolarHBondContact O-N 3.08Å; E308-D311 PolarHBondContact O-N 3.06Å; D311-T314 PolarHBondContact O-N 3.39Å; D311-L315 WeakPolarHBondContact O-CG 3.18Å; D311-L315 PolarHBondContact O-N 2.91Å
312	E	69.9	Low	70.8	Confident	145 Å²	145	119 Å²	119	68%	0.678	56%	0.56	S	S	*	*	H	α-helix	trans	-67.2	-41.2	178.7	-163.4	171	-155.2	0	0	112.2	E308 T314 L315 H316	E308-E312 PolarHBondContact O-N 3.36Å; E312-T314 VanDerWaalsContact C-N 3.27Å; E312-T314 PolarHBondContact O-N 3.43Å; E312-L315 PolarHBondContact O-N 2.91Å; E312-H316 PolarHBondContact O-N 3.47Å
313	Q	73.2	Confident	71.7	Confident	106 Å²	106	118.3 Å²	118.3	50%	0.495	56%	0.56	S	S	.	*	H	α-helix	trans	-64.4	-33	173.2	-73	-178.4	30.6	0	0	112.6	E309 R317	E309-Q313 WeakPolarHBondContact O-CG 3.22Å; E309-Q313 PolarHBondContact O-N 3.39Å; E309-Q313 VanDerWaalsContact O-N 3.16Å; Q313-R317 WeakPolarHBondContact O-CG 3.36Å; Q313-R317 PolarHBondContact O-N 3.01Å; Q313-R317 VanDerWaalsContact O-N 3.15Å; Q313-R317 PolarHBondContact O-NE 3.14Å
314	T	72.1	Confident	72.7	Confident	66 Å²	66	117.7 Å²	117.7	41%	0.405	55%	0.553	S	S	.	*	H	α-helix	trans	-72.2	-39.7	178.1	-54	0	0	0	0	110.8	D310 D311 E312 A318	D310-T314 WeakPolarHBondContact O-CB 3.02Å; D310-T314 PolarHBondContact O-N 3.06Å; D310-T314 PolarHBondContact O-OG1 3.14Å; D311-T314 PolarHBondContact O-N 3.39Å; E312-T314 VanDerWaalsContact C-N 3.27Å; E312-T314 PolarHBondContact O-N 3.43Å; T314-A318 WeakPolarHBondContact O-CB 3.47Å; T314-A318 PolarHBondContact O-N 3.45Å
315	L	72.8	Confident	73.7	Confident	100 Å²	100	116.5 Å²	116.5	52%	0.524	55%	0.546	S	S	.	.	H	α-helix	trans	-65.3	-39.9	172.5	-71.7	172	0	0	0	112.6	D311 E312 A318 R319	D311-L315 WeakPolarHBondContact O-CG 3.18Å; D311-L315 PolarHBondContact O-N 2.91Å; E312-L315 PolarHBondContact O-N 2.91Å; L315-A318 PolarHBondContact O-N 3.08Å; L315-R319 WeakPolarHBondContact O-CG 3.13Å; L315-R319 PolarHBondContact O-N 3.26Å
316	H	78.1	Confident	74.5	Confident	103 Å²	103	115.8 Å²	115.8	48%	0.477	55%	0.546	S	S	.	.	H	α-helix	trans	-62.3	-48.6	177.1	-166.5	-84.6	0	0	0	111.7	E312 A318 R319 E320	E312-H316 PolarHBondContact O-N 3.47Å; H316-A318 VanDerWaalsContact C-N 3.28Å; H316-A318 PolarHBondContact O-N 3.45Å; H316-R319 PolarHBondContact O-N 3.22Å; H316-R319 VanDerWaalsContact O-N 3.15Å; H316-E320 VanDerWaalsContact CE1-CD 3.43Å; H316-E320 IonicContact CE1-OE1 3.43Å; H316-E320 PolarHBondContact CE1-OE1 3.1Å; H316-E320 VanDerWaalsContact ND1-CD 3.33Å; H316-E320 IonicContact ND1-OE1 2.65Å; H316-E320 PolarHBondContact ND1-OE1 3.4Å; H316-E320 IonicContact ND1-OE2 3.1Å; H316-E320 WeakPolarHBondContact O-CG 3.43Å; H316-E320 PolarHBondContact O-N 3.26Å
317	R	80.9	Confident	75.4	Confident	142 Å²	142	113.1 Å²	113.1	54%	0.536	54%	0.543	S	S	.	.	H	α-helix	trans	-60.7	-37	176.1	-76	-177.6	-73.1	170.5	-4.7	112.5	Q313 W321	Q313-R317 WeakPolarHBondContact O-CG 3.36Å; Q313-R317 PolarHBondContact O-N 3.01Å; Q313-R317 VanDerWaalsContact O-N 3.15Å; Q313-R317 PolarHBondContact O-NE 3.14Å; R317-W321 VanDerWaalsContact O-CB 3.3Å; R317-W321 WeakPolarHBondContact O-CB 3.48Å; R317-W321 PolarHBondContact O-N 2.85Å
318	A	80.3	Confident	76.4	Confident	57 Å²	57	111 Å²	111	47%	0.471	53%	0.533	S	S	.	.	H	α-helix	trans	-66.2	-39.1	176.5	0	0	0	0	0	112.2	T314 L315 H316 W321 D322	T314-A318 WeakPolarHBondContact O-CB 3.47Å; T314-A318 PolarHBondContact O-N 3.45Å; L315-A318 PolarHBondContact O-N 3.08Å; H316-A318 VanDerWaalsContact C-N 3.28Å; H316-A318 PolarHBondContact O-N 3.45Å; A318-W321 PolarHBondContact O-N 3.3Å; A318-D322 PolarHBondContact O-N 3.14Å; A318-D322 VanDerWaalsContact O-N 3.1Å
319	R	85.3	Confident	77.4	Confident	170 Å²	170	107.5 Å²	107.5	64%	0.642	52%	0.522	S	S	*	.	H	α-helix	trans	-66.7	-47.1	175.5	-70.6	174	-175.4	169.3	4.7	111.9	L315 H316 W321 D322 D323	L315-R319 WeakPolarHBondContact O-CG 3.13Å; L315-R319 PolarHBondContact O-N 3.26Å; H316-R319 PolarHBondContact O-N 3.22Å; H316-R319 VanDerWaalsContact O-N 3.15Å; R319-W321 PolarHBondContact O-N 3.02Å; R319-D322 WeakPolarHBondContact O-CA 3.07Å; R319-D322 WeakPolarHBondContact O-CB 3.47Å; R319-D322 PolarHBondContact O-N 3.44Å; R319-D323 PolarHBondContact O-N 3.05Å
320	E	86.8	Confident	77.9	Confident	108 Å²	108	114 Å²	114	51%	0.505	54%	0.542	S	S	.	.	H	α-helix	trans	-59.7	-37.6	176.3	-70.5	179.4	141.8	0	0	112.1	H316 D322 W324	H316-E320 VanDerWaalsContact CE1-CD 3.43Å; H316-E320 IonicContact CE1-OE1 3.43Å; H316-E320 PolarHBondContact CE1-OE1 3.1Å; H316-E320 VanDerWaalsContact ND1-CD 3.33Å; H316-E320 IonicContact ND1-OE1 2.65Å; H316-E320 PolarHBondContact ND1-OE1 3.4Å; H316-E320 IonicContact ND1-OE2 3.1Å; H316-E320 WeakPolarHBondContact O-CG 3.43Å; H316-E320 PolarHBondContact O-N 3.26Å; E320-D322 VanDerWaalsContact C-N 3.31Å; E320-W324 WeakPolarHBondContact O-CB 3.39Å; E320-W324 PolarHBondContact O-N 3.17Å
321	W	77.6	Confident	78.2	Confident	152 Å²	152	111.6 Å²	111.6	58%	0.576	54%	0.54	S	S	*	.	H	α-helix	trans	-68.4	-30.7	175.4	-174.2	-117.1	0	0	0	112.8	R317 A318 R319 W324 K325	R317-W321 VanDerWaalsContact O-CB 3.3Å; R317-W321 WeakPolarHBondContact O-CB 3.48Å; R317-W321 PolarHBondContact O-N 2.85Å; A318-W321 PolarHBondContact O-N 3.3Å; R319-W321 PolarHBondContact O-N 3.02Å; W321-W324 AromaticContact CE3-CE3 3.98Å; W321-W324 HydrophobicContact CE3-CE3 3.98Å; W321-W324 AromaticContact CH2-CE3 3.78Å; W321-W324 HydrophobicContact CH2-CE3 3.78Å; W321-W324 HydrophobicContact CH2-CH2 4.31Å; W321-W324 AromaticContact CH2-CZ3 3.55Å; W321-W324 HydrophobicContact CH2-CZ3 3.55Å; W321-W324 HydrophobicContact CZ2-CE3 4.35Å; W321-W324 HydrophobicContact CZ2-CZ3 4.14Å; W321-W324 HydrophobicContact CZ3-CD2 4.14Å; W321-W324 AromaticContact CZ3-CE3 3.57Å; W321-W324 HydrophobicContact CZ3-CE3 3.57Å; W321-W324 AromaticContact CZ3-CZ3 3.81Å; W321-W324 HydrophobicContact CZ3-CZ3 3.81Å; W321-K325 WeakPolarHBondContact O-CE 3.45Å; W321-K325 WeakPolarHBondContact O-CG 3.1Å; W321-K325 PolarHBondContact O-N 2.99Å
322	D	85.6	Confident	78.2	Confident	82 Å²	82	114.3 Å²	114.3	44%	0.439	54%	0.543	S	S	.	.	H	α-helix	trans	-71.8	-49.1	175.3	-137.8	38.7	0	0	0	111.5	A318 R319 E320 W324 K325 D326	A318-D322 PolarHBondContact O-N 3.14Å; A318-D322 VanDerWaalsContact O-N 3.1Å; R319-D322 WeakPolarHBondContact O-CA 3.07Å; R319-D322 WeakPolarHBondContact O-CB 3.47Å; R319-D322 PolarHBondContact O-N 3.44Å; E320-D322 VanDerWaalsContact C-N 3.31Å; D322-W324 PolarHBondContact O-N 3.31Å; D322-K325 WeakPolarHBondContact O-CB 3.48Å; D322-K325 PolarHBondContact O-N 2.93Å; D322-K325 VanDerWaalsContact OD1-CE 3.31Å; D322-K325 WeakPolarHBondContact OD1-CE 3.3Å; D322-K325 IonicContact OD1-NZ 2.88Å; D322-K325 PolarHBondContact OD1-NZ 3.15Å; D322-D326 PolarHBondContact O-N 3.39Å; D322-D326 VanDerWaalsContact O-N 3.07Å
323	D	86.3	Confident	78.1	Confident	110 Å²	110	111.3 Å²	111.3	59%	0.588	55%	0.552	S	S	*	*	H	α-helix	trans	-57.1	-37.6	175.4	-73.1	-13.3	0	0	0	112.1	R319 T327	R319-D323 PolarHBondContact O-N 3.05Å; D323-T327 PolarHBondContact O-N 2.94Å; D323-T327 PolarHBondContact O-OG1 3.37Å; D323-T327 VanDerWaalsContact O-OG1 3.11Å
324	W	85.2	Confident	77.5	Confident	118 Å²	118	111.6 Å²	111.6	45%	0.447	56%	0.556	S	S	.	*	H	α-helix	trans	-66.9	-39.9	175.4	-178.3	82.3	0	0	0	112.5	E320 W321 D322 D326 T327 H328	E320-W324 WeakPolarHBondContact O-CB 3.39Å; E320-W324 PolarHBondContact O-N 3.17Å; W321-W324 AromaticContact CE3-CE3 3.98Å; W321-W324 HydrophobicContact CE3-CE3 3.98Å; W321-W324 AromaticContact CH2-CE3 3.78Å; W321-W324 HydrophobicContact CH2-CE3 3.78Å; W321-W324 HydrophobicContact CH2-CH2 4.31Å; W321-W324 AromaticContact CH2-CZ3 3.55Å; W321-W324 HydrophobicContact CH2-CZ3 3.55Å; W321-W324 HydrophobicContact CZ2-CE3 4.35Å; W321-W324 HydrophobicContact CZ2-CZ3 4.14Å; W321-W324 HydrophobicContact CZ3-CD2 4.14Å; W321-W324 AromaticContact CZ3-CE3 3.57Å; W321-W324 HydrophobicContact CZ3-CE3 3.57Å; W321-W324 AromaticContact CZ3-CZ3 3.81Å; W321-W324 HydrophobicContact CZ3-CZ3 3.81Å; D322-W324 PolarHBondContact O-N 3.31Å; W324-D326 VanDerWaalsContact C-N 3.34Å; W324-D326 PolarHBondContact O-N 2.63Å; W324-T327 PolarHBondContact O-N 3.17Å; W324-T327 PolarHBondContact O-OG1 3.41Å; W324-H328 AromaticContact CD1-CE1 3.62Å; W324-H328 AromaticContact CD1-ND1 3.53Å; W324-H328 HydrophobicContact CD2-CB 4.48Å; W324-H328 AromaticContact CE2-CG 3.77Å; W324-H328 AromaticContact CE2-ND1 3.72Å; W324-H328 AromaticContact CG-ND1 3.97Å; W324-H328 HydrophobicContact CH2-CB 4.34Å; W324-H328 HydrophobicContact CZ2-CB 4.09Å; W324-H328 AromaticContact CZ2-CG 3.96Å; W324-H328 AromaticContact NE1-CE1 3.37Å; W324-H328 PolarHBondContact NE1-CE1 2.91Å; W324-H328 AromaticContact NE1-CG 3.77Å; W324-H328 AromaticContact NE1-ND1 3.35Å; W324-H328 PolarHBondContact NE1-ND1 3Å; W324-H328 AromaticContact NE1-NE2 3.76Å; W324-H328 WeakPolarHBondContact O-CB 3.5Å; W324-H328 PolarHBondContact O-N 3.28Å; W324-H328 PolarHBondContact O-ND1 3.22Å
325	K	82.8	Confident	76.9	Confident	88 Å²	88	117.4 Å²	117.4	38%	0.383	57%	0.571	S	S	.	*	H	α-helix	trans	-67.3	-34.3	177.5	-75.6	177	-70.2	154	0	112.3	W321 D322 T327 H328	W321-K325 WeakPolarHBondContact O-CE 3.45Å; W321-K325 WeakPolarHBondContact O-CG 3.1Å; W321-K325 PolarHBondContact O-N 2.99Å; D322-K325 WeakPolarHBondContact O-CB 3.48Å; D322-K325 PolarHBondContact O-N 2.93Å; D322-K325 VanDerWaalsContact OD1-CE 3.31Å; D322-K325 WeakPolarHBondContact OD1-CE 3.3Å; D322-K325 IonicContact OD1-NZ 2.88Å; D322-K325 PolarHBondContact OD1-NZ 3.15Å; K325-T327 VanDerWaalsContact C-N 3.33Å; K325-H328 CarbonylContact O-C 3.26Å; K325-H328 VanDerWaalsContact O-C 3.26Å; K325-H328 PolarHBondContact O-N 3.16Å
326	D	82.6	Confident	76.1	Confident	125 Å²	125	121.8 Å²	121.8	67%	0.668	59%	0.589	S	S	*	*	H	α-helix	trans	-66.3	-35.9	177.1	-80.9	-7	0	0	0	112.2	D322 W324	D322-D326 PolarHBondContact O-N 3.39Å; D322-D326 VanDerWaalsContact O-N 3.07Å; W324-D326 VanDerWaalsContact C-N 3.34Å; W324-D326 PolarHBondContact O-N 2.63Å
327	T	82.6	Confident	75.1	Confident	94 Å²	94	122.4 Å²	122.4	58%	0.577	60%	0.596	S	S	*	*	H	α-helix	trans	-82.7	-15.3	175	52.6	0	0	0	0	113.6	D323 W324 K325 P329	D323-T327 PolarHBondContact O-N 2.94Å; D323-T327 PolarHBondContact O-OG1 3.37Å; D323-T327 VanDerWaalsContact O-OG1 3.11Å; W324-T327 PolarHBondContact O-N 3.17Å; W324-T327 PolarHBondContact O-OG1 3.41Å; K325-T327 VanDerWaalsContact C-N 3.33Å; T327-P329 WeakPolarHBondContact O-CD 3.29Å
328	H	81.1	Confident	73.6	Confident	91 Å²	91	123.9 Å²	123.9	42%	0.421	61%	0.611	S	S	.	*	S	Bend	trans	-126.4	71.4	-179.5	-59.5	76.3	0	0	0	112.3	W324 K325	W324-H328 AromaticContact CD1-CE1 3.62Å; W324-H328 AromaticContact CD1-ND1 3.53Å; W324-H328 HydrophobicContact CD2-CB 4.48Å; W324-H328 AromaticContact CE2-CG 3.77Å; W324-H328 AromaticContact CE2-ND1 3.72Å; W324-H328 AromaticContact CG-ND1 3.97Å; W324-H328 HydrophobicContact CH2-CB 4.34Å; W324-H328 HydrophobicContact CZ2-CB 4.09Å; W324-H328 AromaticContact CZ2-CG 3.96Å; W324-H328 AromaticContact NE1-CE1 3.37Å; W324-H328 PolarHBondContact NE1-CE1 2.91Å; W324-H328 AromaticContact NE1-CG 3.77Å; W324-H328 AromaticContact NE1-ND1 3.35Å; W324-H328 PolarHBondContact NE1-ND1 3Å; W324-H328 AromaticContact NE1-NE2 3.76Å; W324-H328 WeakPolarHBondContact O-CB 3.5Å; W324-H328 PolarHBondContact O-N 3.28Å; W324-H328 PolarHBondContact O-ND1 3.22Å; K325-H328 CarbonylContact O-C 3.26Å; K325-H328 VanDerWaalsContact O-C 3.26Å; K325-H328 PolarHBondContact O-N 3.16Å
329	P	76.3	Confident	72.4	Confident	71 Å²	71	128.1 Å²	128.1	46%	0.461	66%	0.66	S	S	.	*			trans	-56.6	141.4	178.7	-21.7	30.7	0	0	0	112	T327 G331 Y332	T327-P329 WeakPolarHBondContact O-CD 3.29Å; P329-G331 PolarHBondContact O-N 3.28Å; P329-G331 VanDerWaalsContact O-N 3.08Å; P329-Y332 WeakPolarHBondContact O-CB 3.45Å; P329-Y332 PolarHBondContact O-N 3.11Å
330	R	69.1	Low	71.8	Confident	260 Å²	260	126 Å²	126	98%	0.981	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	120.1	173.5	-72.3	-176.8	175.5	-125.5	0.2	109.5
331	G	68	Low	71	Confident	48 Å²	48	126.9 Å²	126.9	50%	0.495	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	96.4	6.2	-179.8	0	0	0	0	0	115.7	P329 G333 N334	P329-G331 PolarHBondContact O-N 3.28Å; P329-G331 VanDerWaalsContact O-N 3.08Å; G331-G333 PolarHBondContact O-N 3.28Å; G331-N334 PolarHBondContact O-N 2.93Å
332	Y	66.9	Low	70.6	Confident	164 Å²	164	125.6 Å²	125.6	64%	0.643	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	-27.3	177.2	-169.8	-103.1	0	0	0	113.7	P329	P329-Y332 WeakPolarHBondContact O-CB 3.45Å; P329-Y332 PolarHBondContact O-N 3.11Å
333	G	66.3	Low	69.7	Low	83 Å²	83	128.1 Å²	128.1	86%	0.856	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-6.3	176.7	0	0	0	0	0	116.9	G331	G331-G333 PolarHBondContact O-N 3.28Å
334	N	60.2	Low	68.7	Low	111 Å²	111	129.3 Å²	129.3	59%	0.594	69%	0.694	S	S	*	*			trans	-126.4	54.3	-173.6	-164.7	29.9	0	0	0	112.3	G331	G331-N334 PolarHBondContact O-N 2.93Å
335	R	59.6	Low	67.6	Low	188 Å²	188	130 Å²	130	71%	0.709	71%	0.711	S	S	*	*			trans	-99.9	-2.3	-179.4	-58.8	-179	85.2	161.5	5.3	114.3
336	Q	57.6	Low	66.5	Low	193 Å²	193	133 Å²	133	90%	0.902	73%	0.734	S	S	*	*	S	Bend	trans	-108.8	3.8	-176.1	-70.6	-79	-42.2	0	0	113.3
337	N	55.7	Low	65.3	Low	115 Å²	115	133.6 Å²	133.6	62%	0.615	74%	0.739	S	S	*	*			trans	-118.2	67.7	172.9	-159.7	33.1	0	0	0	108.7
338	M	50.3	Low	63.8	Low	173 Å²	173	136.9 Å²	136.9	85%	0.852	75%	0.753	S	S	*	*			trans	-88.8	115.4	158.9	-63.4	-66.8	-108.2	0	0	104.3
339	G	54.7	Low	62.2	Low	146 Å²	146	141.1 Å²	141.1	100%	1.505	78%	0.783	S	S	*	*			trans	-60.8	0	-170.8	0	0	0	0	0	115.8

Retrieved 339 of 339 residues in 2244.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).