A0A077ZJ75_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJ75, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 342 aa.

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(Predicted Aligned Error values between residue pairs)

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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	31.4	Very low	30.7	Very low	247 Å²	247	139.5 Å²	139.5	100%	1.217	79%	0.793	S	S	*	*				0	81.9	0	-72.2	178.8	169.2	0	0	108.1
2	A	32.3	Very low	30.7	Very low	96 Å²	96	133.7 Å²	133.7	79%	0.793	79%	0.787	S	S	*	*			trans	-90.7	121.6	167.7	0	0	0	0	0	106	N4	A2-N4 PolarHBondContact O-N 2.81Å
3	S	35.8	Very low	30.7	Very low	109 Å²	109	135.8 Å²	135.8	76%	0.762	78%	0.775	S	S	*	*			trans	-59.2	131	-178.9	56.5	0	0	0	0	109.1	S5	S3-S5 PolarHBondContact O-N 3.44Å
4	N	31.3	Very low	30.8	Very low	162 Å²	162	131.1 Å²	131.1	87%	0.866	76%	0.755	S	S	*	*			trans	-64.5	81	169.4	-75.1	-31.1	0	0	0	108.1	A2 K6	A2-N4 PolarHBondContact O-N 2.81Å; N4-K6 VanDerWaalsContact C-N 3.29Å; N4-K6 PolarHBondContact O-N 3.03Å
5	S	29.7	Very low	31.2	Very low	100 Å²	100	132 Å²	132	70%	0.699	76%	0.756	S	S	*	*			trans	-64.2	99	164.1	53.4	0	0	0	0	106	S3 L7	S3-S5 PolarHBondContact O-N 3.44Å; S5-L7 PolarHBondContact O-N 3.27Å
6	K	30.8	Very low	31.5	Very low	200 Å²	200	129.6 Å²	129.6	87%	0.87	75%	0.75	S	S	*	*			trans	-54.4	107.7	167.4	-81.2	-178.1	174.7	-179.5	0	106.3	N4 L8	N4-K6 VanDerWaalsContact C-N 3.29Å; N4-K6 PolarHBondContact O-N 3.03Å; K6-L8 PolarHBondContact O-N 2.98Å
7	L	27.5	Very low	31.8	Very low	135 Å²	135	129.6 Å²	129.6	71%	0.707	75%	0.746	S	S	*	*			trans	-48.2	132.6	167.5	-76.8	164	0	0	0	107.9	S5 D9	S5-L7 PolarHBondContact O-N 3.27Å; L7-D9 PolarHBondContact O-N 2.8Å
8	L	26.5	Very low	32.1	Very low	162 Å²	162	124.2 Å²	124.2	85%	0.848	72%	0.717	S	S	*	*			trans	-56.7	135	-179.6	-87.5	153.3	0	0	0	110.1	K6 T10	K6-L8 PolarHBondContact O-N 2.98Å; L8-T10 PolarHBondContact O-N 2.94Å; L8-T10 VanDerWaalsContact O-N 3.14Å
9	D	31.7	Very low	32.3	Very low	129 Å²	129	120.4 Å²	120.4	69%	0.69	69%	0.694	S	S	*	*			trans	-58.8	112.5	179.1	-176.2	-0.2	0	0	0	110.2	L7 S11	L7-D9 PolarHBondContact O-N 2.8Å; D9-S11 VanDerWaalsContact CG-OG 3.23Å; D9-S11 WeakPolarHBondContact OD1-CB 3.17Å; D9-S11 PolarHBondContact OD1-N 2.98Å; D9-S11 PolarHBondContact OD1-OG 2.93Å; D9-S11 PolarHBondContact OD2-OG 3.4Å
10	T	29.1	Very low	32.6	Very low	98 Å²	98	115.2 Å²	115.2	60%	0.601	66%	0.663	S	S	*	*			trans	-94	5.8	-178.8	47	0	0	0	0	112.8	L8 G12 Y13	L8-T10 PolarHBondContact O-N 2.94Å; L8-T10 VanDerWaalsContact O-N 3.14Å; T10-G12 PolarHBondContact O-N 2.87Å; T10-G12 VanDerWaalsContact O-N 3.1Å; T10-Y13 HydrophobicContact CG2-CD2 4.02Å; T10-Y13 HydrophobicContact CG2-CE2 4.09Å; T10-Y13 WeakPolarHBondContact O-CD2 3.31Å; T10-Y13 PolarHBondContact O-N 2.88Å
11	S	32	Very low	32.9	Very low	96 Å²	96	111.9 Å²	111.9	67%	0.671	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-20.1	-179.9	62	0	0	0	0	113.8	D9 Y13	D9-S11 VanDerWaalsContact CG-OG 3.23Å; D9-S11 WeakPolarHBondContact OD1-CB 3.17Å; D9-S11 PolarHBondContact OD1-N 2.98Å; D9-S11 PolarHBondContact OD1-OG 2.93Å; D9-S11 PolarHBondContact OD2-OG 3.4Å; S11-Y13 VanDerWaalsContact C-N 3.32Å; S11-Y13 PolarHBondContact O-N 2.79Å
12	G	30.2	Very low	33.1	Very low	70 Å²	70	104.6 Å²	104.6	72%	0.722	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-14.5	173.6	0	0	0	0	0	115.3	T10 S14	T10-G12 PolarHBondContact O-N 2.87Å; T10-G12 VanDerWaalsContact O-N 3.1Å; G12-S14 VanDerWaalsContact C-N 3.29Å; G12-S14 PolarHBondContact O-N 3.41Å
13	Y	30.8	Very low	33.3	Very low	161 Å²	161	110 Å²	110	63%	0.631	61%	0.61	S	S	*	*			trans	-86.6	70.1	178.9	-60.9	-78.2	0	0	0	110.6	T10 S11 N15	T10-Y13 HydrophobicContact CG2-CD2 4.02Å; T10-Y13 HydrophobicContact CG2-CE2 4.09Å; T10-Y13 WeakPolarHBondContact O-CD2 3.31Å; T10-Y13 PolarHBondContact O-N 2.88Å; S11-Y13 VanDerWaalsContact C-N 3.32Å; S11-Y13 PolarHBondContact O-N 2.79Å; Y13-N15 PolarHBondContact O-N 3.18Å
14	S	32.7	Very low	33.3	Very low	70 Å²	70	111.8 Å²	111.8	49%	0.49	60%	0.6	S	S	.	*			trans	-58.6	119.2	171.5	171.8	0	0	0	0	110.9	G12 S16 N17	G12-S14 VanDerWaalsContact C-N 3.29Å; G12-S14 PolarHBondContact O-N 3.41Å; S14-S16 PolarHBondContact O-N 3.25Å; S14-S16 PolarHBondContact OG-N 2.65Å; S14-S16 PolarHBondContact OG-OG 2.63Å; S14-N17 PolarHBondContact O-N 3.26Å
15	N	36.2	Very low	33.4	Very low	145 Å²	145	105 Å²	105	78%	0.775	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-52.7	-14	174.4	-88.7	-24.2	0	0	0	114.7	Y13 N17 C18	Y13-N15 PolarHBondContact O-N 3.18Å; N15-N17 PolarHBondContact O-N 3.19Å; N15-C18 PolarHBondContact O-N 3.48Å
16	S	36	Very low	33.9	Very low	93 Å²	93	103.3 Å²	103.3	65%	0.65	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-63.5	-18.1	177.8	64.4	0	0	0	0	113.9	S14	S14-S16 PolarHBondContact O-N 3.25Å; S14-S16 PolarHBondContact OG-N 2.65Å; S14-S16 PolarHBondContact OG-OG 2.63Å
17	N	36.1	Very low	34.1	Very low	130 Å²	130	98.1 Å²	98.1	70%	0.695	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-104	5.6	-175.9	-67.9	-22.1	0	0	0	114.3	S14 N15 L19	S14-N17 PolarHBondContact O-N 3.26Å; N15-N17 PolarHBondContact O-N 3.19Å; N17-L19 PolarHBondContact O-N 3.27Å
18	C	37	Very low	34.4	Very low	32 Å²	32	94.3 Å²	94.3	22%	0.216	52%	0.52	C	S	.	.			trans	-69.6	119.4	177.1	-170.4	0	0	0	0	110.2	N15 I20	N15-C18 PolarHBondContact O-N 3.48Å; C18-I20 PolarHBondContact O-N 3.28Å
19	L	37	Very low	34.9	Very low	53 Å²	53	90 Å²	90	28%	0.277	50%	0.495	S	S	.	.			trans	-73	-5.9	-179.6	-71.7	170	0	0	0	113.9	N17 P21 W48 H72	N17-L19 PolarHBondContact O-N 3.27Å; L19-P21 WeakPolarHBondContact O-CD 3.49Å; L19-W48 HydrophobicContact CB-CH2 4.09Å; L19-W48 HydrophobicContact CD1-CH2 4.3Å; L19-H72 WeakPolarHBondContact CB-CE1 3.25Å
20	I	37.3	Very low	34.9	Very low	15 Å²	15	86.2 Å²	86.2	8%	0.077	47%	0.473	C	S	.	.	S	Bend	trans	-73.1	119.2	174.8	-54.2	-177.3	0	0	0	107.3	C18 W22 L25 A45 H72	C18-I20 PolarHBondContact O-N 3.28Å; I20-W22 PolarHBondContact O-N 3.05Å; I20-L25 HydrophobicContact CG2-CD1 4.28Å; I20-A45 HydrophobicContact CD1-CB 4.04Å; I20-H72 HydrophobicContact CD1-CB 4.49Å; I20-H72 HydrophobicContact CG1-CB 4.44Å; I20-H72 VanDerWaalsContact CG1-ND1 3.3Å; I20-H72 WeakPolarHBondContact CG1-ND1 3.2Å
21	P	39.3	Very low	34.9	Very low	46 Å²	46	85.8 Å²	85.8	30%	0.299	47%	0.466	S	S	.	.			trans	-77.5	76.1	-179.2	32.5	-33.3	0	0	0	109	L19 K23 R24	L19-P21 WeakPolarHBondContact O-CD 3.49Å; P21-K23 PolarHBondContact O-N 3.11Å; P21-R24 PolarHBondContact O-N 3.49Å
22	W	36.1	Very low	34.8	Very low	94 Å²	94	88.1 Å²	88.1	36%	0.356	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-41.3	-46.2	-174.6	-69.1	91.9	0	0	0	112.3	I20 R24 L25 H30 I33	I20-W22 PolarHBondContact O-N 3.05Å; W22-R24 PolarHBondContact O-N 3.47Å; W22-L25 HydrophobicContact CE3-CD1 4.15Å; W22-L25 PolarHBondContact O-N 3.36Å; W22-H30 PolarHBondContact O-CE1 3.02Å; W22-H30 PolarHBondContact O-NE2 2.75Å; W22-I33 HydrophobicContact CH2-CG2 3.65Å; W22-I33 HydrophobicContact CZ3-CB 4.35Å; W22-I33 HydrophobicContact CZ3-CD1 4.34Å; W22-I33 HydrophobicContact CZ3-CG2 3.6Å
23	K	36.5	Very low	35.1	Very low	210 Å²	210	86 Å²	86	91%	0.913	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-55.3	-13.6	-179.6	-62.8	-173.8	178.6	-177.2	0	116.1	P21	P21-K23 PolarHBondContact O-N 3.11Å
24	R	34.8	Very low	35.4	Very low	147 Å²	147	84.6 Å²	84.6	56%	0.555	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-104	-5.1	179.4	-68.2	-171.2	177.8	178.9	2.1	114.1	P21 W22 W94	P21-R24 PolarHBondContact O-N 3.49Å; W22-R24 PolarHBondContact O-N 3.47Å; R24-W94 HydrophobicContact CB-CZ2 4.42Å
25	L	34	Very low	35.6	Very low	19 Å²	19	88.6 Å²	88.6	10%	0.099	45%	0.446	C	S	.	.	S	Bend	trans	-71.9	135.4	171	-64	171.5	0	0	0	107.5	I20 W22 K29 H30 I33	I20-L25 HydrophobicContact CG2-CD1 4.28Å; W22-L25 HydrophobicContact CE3-CD1 4.15Å; W22-L25 PolarHBondContact O-N 3.36Å; L25-K29 HydrophobicContact CB-CB 4.12Å; L25-K29 HydrophobicContact CD2-CB 4.27Å; L25-K29 HydrophobicContact CD2-CD 4.34Å; L25-H30 PolarHBondContact O-CD2 3.46Å; L25-H30 PolarHBondContact O-NE2 3.05Å; L25-I33 HydrophobicContact CD1-CD1 3.59Å
26	D	40.9	Very low	35.8	Very low	65 Å²	65	83.7 Å²	83.7	35%	0.348	43%	0.43	S	S	.	.			trans	-64.8	161.2	170.2	68.6	55.4	0	0	0	109.8	S28 K29 H30	D26-S28 PolarHBondContact O-N 3.34Å; D26-S28 VanDerWaalsContact O-N 3.15Å; D26-S28 WeakPolarHBondContact OD1-CA 3.31Å; D26-S28 VanDerWaalsContact OD1-CB 3.31Å; D26-S28 WeakPolarHBondContact OD1-CB 3.44Å; D26-S28 PolarHBondContact OD1-N 3.05Å; D26-S28 PolarHBondContact OD1-OG 3.29Å; D26-K29 PolarHBondContact O-N 3.23Å; D26-K29 VanDerWaalsContact O-N 3.07Å; D26-K29 PolarHBondContact OD1-N 3.25Å; D26-K29 WeakPolarHBondContact OD2-CD 3.39Å; D26-K29 VanDerWaalsContact OD2-CE 3.27Å; D26-K29 WeakPolarHBondContact OD2-CE 3.45Å; D26-K29 IonicContact OD2-NZ 2.65Å; D26-K29 PolarHBondContact OD2-NZ 3.3Å; D26-H30 PolarHBondContact O-CD2 2.9Å; D26-H30 PolarHBondContact O-N 3.5Å
27	S	34.1	Very low	36.3	Very low	91 Å²	91	82.7 Å²	82.7	64%	0.636	42%	0.417	S	S	*	.	H	α-helix	trans	-56.9	-32.1	-176.9	54	0	0	0	0	113.1	L31	S27-L31 WeakPolarHBondContact O-CB 3.37Å; S27-L31 WeakPolarHBondContact O-CD1 3.33Å; S27-L31 VanDerWaalsContact O-CG 3.27Å; S27-L31 WeakPolarHBondContact O-CG 3.27Å; S27-L31 PolarHBondContact O-N 3.13Å
28	S	33.5	Very low	36.8	Very low	54 Å²	54	81 Å²	81	38%	0.378	40%	0.403	S	S	.	.	H	α-helix	trans	-70.6	-38.4	178.1	80.9	0	0	0	0	112.1	D26 L31 R32	D26-S28 PolarHBondContact O-N 3.34Å; D26-S28 VanDerWaalsContact O-N 3.15Å; D26-S28 WeakPolarHBondContact OD1-CA 3.31Å; D26-S28 VanDerWaalsContact OD1-CB 3.31Å; D26-S28 WeakPolarHBondContact OD1-CB 3.44Å; D26-S28 PolarHBondContact OD1-N 3.05Å; D26-S28 PolarHBondContact OD1-OG 3.29Å; S28-L31 PolarHBondContact O-N 3.41Å; S28-R32 WeakPolarHBondContact O-CG 3.29Å; S28-R32 PolarHBondContact O-N 3.27Å
29	K	37.5	Very low	37.3	Very low	71 Å²	71	81.2 Å²	81.2	31%	0.309	41%	0.406	S	S	.	.	H	α-helix	trans	-70.7	-40.6	175.3	-70.5	172.2	-175.6	133.2	0	111.1	L25 D26 L31 R32 I33 H44	L25-K29 HydrophobicContact CB-CB 4.12Å; L25-K29 HydrophobicContact CD2-CB 4.27Å; L25-K29 HydrophobicContact CD2-CD 4.34Å; D26-K29 PolarHBondContact O-N 3.23Å; D26-K29 VanDerWaalsContact O-N 3.07Å; D26-K29 PolarHBondContact OD1-N 3.25Å; D26-K29 WeakPolarHBondContact OD2-CD 3.39Å; D26-K29 VanDerWaalsContact OD2-CE 3.27Å; D26-K29 WeakPolarHBondContact OD2-CE 3.45Å; D26-K29 IonicContact OD2-NZ 2.65Å; D26-K29 PolarHBondContact OD2-NZ 3.3Å; K29-L31 VanDerWaalsContact C-N 3.35Å; K29-L31 PolarHBondContact O-N 3.5Å; K29-R32 PolarHBondContact O-N 2.56Å; K29-I33 VanDerWaalsContact O-CG1 3.29Å; K29-I33 WeakPolarHBondContact O-CG1 3.27Å; K29-I33 PolarHBondContact O-N 3.21Å; K29-H44 WeakPolarHBondContact CD-NE2 3.34Å
30	H	31.3	Very low	37.9	Very low	50 Å²	50	79.4 Å²	79.4	23%	0.231	40%	0.398	C	S	.	.	H	α-helix	trans	-56.7	-49.3	169.9	-86.7	-70.2	0	0	0	111.9	W22 L25 D26 R32 I33 L34	W22-H30 PolarHBondContact O-CE1 3.02Å; W22-H30 PolarHBondContact O-NE2 2.75Å; L25-H30 PolarHBondContact O-CD2 3.46Å; L25-H30 PolarHBondContact O-NE2 3.05Å; D26-H30 PolarHBondContact O-CD2 2.9Å; D26-H30 PolarHBondContact O-N 3.5Å; H30-R32 PolarHBondContact O-N 2.92Å; H30-I33 PolarHBondContact O-N 3.12Å; H30-L34 VanDerWaalsContact O-CB 3.31Å; H30-L34 WeakPolarHBondContact O-CB 3.31Å; H30-L34 VanDerWaalsContact O-CG 3.26Å; H30-L34 WeakPolarHBondContact O-CG 3.49Å; H30-L34 PolarHBondContact O-N 2.88Å
31	L	29.1	Very low	38.5	Very low	89 Å²	89	79.3 Å²	79.3	47%	0.466	40%	0.399	S	S	.	.	H	α-helix	trans	-60.5	-43.5	178.7	-81	163.4	0	0	0	111.4	S27 S28 K29 I33 L34 H35	S27-L31 WeakPolarHBondContact O-CB 3.37Å; S27-L31 WeakPolarHBondContact O-CD1 3.33Å; S27-L31 VanDerWaalsContact O-CG 3.27Å; S27-L31 WeakPolarHBondContact O-CG 3.27Å; S27-L31 PolarHBondContact O-N 3.13Å; S28-L31 PolarHBondContact O-N 3.41Å; K29-L31 VanDerWaalsContact C-N 3.35Å; K29-L31 PolarHBondContact O-N 3.5Å; L31-I33 PolarHBondContact O-N 3.47Å; L31-L34 PolarHBondContact O-N 3.34Å; L31-H35 WeakPolarHBondContact O-CB 3.19Å; L31-H35 PolarHBondContact O-CD2 2.94Å; L31-H35 VanDerWaalsContact O-CG 3.28Å; L31-H35 PolarHBondContact O-N 2.93Å
32	R	30.6	Very low	39	Very low	145 Å²	145	77.5 Å²	77.5	55%	0.547	39%	0.387	S	S	.	.	H	α-helix	trans	-61.9	-43.3	177.3	-74.6	179.2	-170.4	-179.4	2.5	112.4	S28 K29 H30 H35 G36 D37	S28-R32 WeakPolarHBondContact O-CG 3.29Å; S28-R32 PolarHBondContact O-N 3.27Å; K29-R32 PolarHBondContact O-N 2.56Å; H30-R32 PolarHBondContact O-N 2.92Å; R32-H35 PolarHBondContact O-N 3.47Å; R32-G36 PolarHBondContact O-N 3.15Å; R32-D37 HydrophobicContact CB-CB 4.18Å; R32-D37 VanDerWaalsContact O-CB 3.25Å; R32-D37 WeakPolarHBondContact O-CB 3.35Å; R32-D37 PolarHBondContact O-N 3.07Å
33	I	35.4	Very low	39.8	Very low	25 Å²	25	75.7 Å²	75.7	13%	0.128	38%	0.382	C	S	.	.	H	α-helix	trans	-67.2	-42.9	176.7	-61.2	179	0	0	0	111.2	W22 L25 K29 H30 L31 H35 G36 S41	W22-I33 HydrophobicContact CH2-CG2 3.65Å; W22-I33 HydrophobicContact CZ3-CB 4.35Å; W22-I33 HydrophobicContact CZ3-CD1 4.34Å; W22-I33 HydrophobicContact CZ3-CG2 3.6Å; L25-I33 HydrophobicContact CD1-CD1 3.59Å; K29-I33 VanDerWaalsContact O-CG1 3.29Å; K29-I33 WeakPolarHBondContact O-CG1 3.27Å; K29-I33 PolarHBondContact O-N 3.21Å; H30-I33 PolarHBondContact O-N 3.12Å; L31-I33 PolarHBondContact O-N 3.47Å; I33-H35 VanDerWaalsContact C-N 3.33Å; I33-H35 PolarHBondContact O-N 3.5Å; I33-G36 PolarHBondContact O-N 2.78Å; I33-G36 VanDerWaalsContact O-N 3.11Å; I33-S41 WeakPolarHBondContact CG1-OG 3.42Å; I33-S41 WeakPolarHBondContact CG2-OG 3.26Å
34	L	37	Very low	40.6	Very low	133 Å²	133	68.1 Å²	68.1	70%	0.696	35%	0.349	S	S	*	.	H	α-helix	trans	-65.3	-35	176.2	-74.7	169.2	0	0	0	112.4	H30 L31 G36	H30-L34 VanDerWaalsContact O-CB 3.31Å; H30-L34 WeakPolarHBondContact O-CB 3.31Å; H30-L34 VanDerWaalsContact O-CG 3.26Å; H30-L34 WeakPolarHBondContact O-CG 3.49Å; H30-L34 PolarHBondContact O-N 2.88Å; L31-L34 PolarHBondContact O-N 3.34Å; L34-G36 PolarHBondContact O-N 3.35Å
35	H	37.6	Very low	41.4	Very low	153 Å²	153	61.1 Å²	61.1	71%	0.708	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	6.8	174.4	-74	-54.7	0	0	0	113.2	L31 R32 I33 D37	L31-H35 WeakPolarHBondContact O-CB 3.19Å; L31-H35 PolarHBondContact O-CD2 2.94Å; L31-H35 VanDerWaalsContact O-CG 3.28Å; L31-H35 PolarHBondContact O-N 2.93Å; R32-H35 PolarHBondContact O-N 3.47Å; I33-H35 VanDerWaalsContact C-N 3.33Å; I33-H35 PolarHBondContact O-N 3.5Å; H35-D37 VanDerWaalsContact C-N 3.34Å; H35-D37 PolarHBondContact O-N 3.41Å
36	G	41.8	Very low	42.2	Very low	43 Å²	43	60.2 Å²	60.2	44%	0.443	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	22	173.6	0	0	0	0	0	113.9	R32 I33 L34 K38	R32-G36 PolarHBondContact O-N 3.15Å; I33-G36 PolarHBondContact O-N 2.78Å; I33-G36 VanDerWaalsContact O-N 3.11Å; L34-G36 PolarHBondContact O-N 3.35Å; G36-K38 WeakPolarHBondContact O-CG 3.48Å; G36-K38 PolarHBondContact O-N 3.03Å
37	D	45.9	Very low	42.8	Very low	71 Å²	71	59 Å²	59	38%	0.38	31%	0.312	S	S	.	.			trans	-73	76.1	167.9	-170.6	-5.1	0	0	0	109.5	R32 H35 S39 A40 S41	R32-D37 HydrophobicContact CB-CB 4.18Å; R32-D37 VanDerWaalsContact O-CB 3.25Å; R32-D37 WeakPolarHBondContact O-CB 3.35Å; R32-D37 PolarHBondContact O-N 3.07Å; H35-D37 VanDerWaalsContact C-N 3.34Å; H35-D37 PolarHBondContact O-N 3.41Å; D37-S39 PolarHBondContact O-N 2.84Å; D37-A40 HydrophobicContact CB-CB 4.46Å; D37-A40 PolarHBondContact O-N 3.11Å; D37-S41 PolarHBondContact O-N 3.31Å
38	K	46.6	Very low	43.6	Very low	94 Å²	94	55.8 Å²	55.8	41%	0.409	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-29.5	-173.7	-68.5	170.4	-175.3	179.8	0	112.5	G36 S41 I42 Y78	G36-K38 WeakPolarHBondContact O-CG 3.48Å; G36-K38 PolarHBondContact O-N 3.03Å; K38-S41 PolarHBondContact O-N 3.01Å; K38-I42 WeakPolarHBondContact O-CG1 3.3Å; K38-I42 PolarHBondContact O-N 3.42Å; K38-I42 VanDerWaalsContact O-N 3.17Å; K38-Y78 HydrophobicContact CD-CD2 3.85Å; K38-Y78 HydrophobicContact CD-CE2 3.76Å
39	S	46.7	Very low	44.4	Very low	38 Å²	38	53.2 Å²	53.2	27%	0.266	27%	0.267	S	S	.	.	H	α-helix	trans	-63.1	-44.6	176.8	-175.9	0	0	0	0	110.8	D37 S41 I42 K43	D37-S39 PolarHBondContact O-N 2.84Å; S39-S41 VanDerWaalsContact C-N 3.33Å; S39-S41 PolarHBondContact O-N 3.1Å; S39-I42 PolarHBondContact O-N 3.32Å; S39-K43 WeakPolarHBondContact O-CB 3.39Å; S39-K43 VanDerWaalsContact O-CG 3.26Å; S39-K43 WeakPolarHBondContact O-CG 3.46Å; S39-K43 PolarHBondContact O-N 2.8Å
40	A	51	Low	44.9	Very low	15 Å²	15	52.3 Å²	52.3	12%	0.124	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-39.4	177.4	0	0	0	0	0	112.3	D37 K43 H44	D37-A40 HydrophobicContact CB-CB 4.46Å; D37-A40 PolarHBondContact O-N 3.11Å; A40-K43 PolarHBondContact O-N 3.16Å; A40-H44 WeakPolarHBondContact O-CB 3.35Å; A40-H44 PolarHBondContact O-CD2 3.15Å; A40-H44 VanDerWaalsContact O-CD2 3.23Å; A40-H44 PolarHBondContact O-N 3Å
41	S	49	Very low	45.6	Very low	13 Å²	13	51.8 Å²	51.8	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-48.1	177.1	-56.3	0	0	0	0	112.5	I33 D37 K38 S39 H44 A45	I33-S41 WeakPolarHBondContact CG1-OG 3.42Å; I33-S41 WeakPolarHBondContact CG2-OG 3.26Å; D37-S41 PolarHBondContact O-N 3.31Å; K38-S41 PolarHBondContact O-N 3.01Å; S39-S41 VanDerWaalsContact C-N 3.33Å; S39-S41 PolarHBondContact O-N 3.1Å; S41-H44 PolarHBondContact O-N 3.14Å; S41-A45 WeakPolarHBondContact O-CB 3.41Å; S41-A45 PolarHBondContact O-N 2.89Å
42	I	48.7	Very low	46.3	Very low	8 Å²	8	47.8 Å²	47.8	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-47.1	179.3	-63.4	171.1	0	0	0	110	K38 S39 H44 A45 I46 W86	K38-I42 WeakPolarHBondContact O-CG1 3.3Å; K38-I42 PolarHBondContact O-N 3.42Å; K38-I42 VanDerWaalsContact O-N 3.17Å; S39-I42 PolarHBondContact O-N 3.32Å; I42-H44 VanDerWaalsContact C-N 3.32Å; I42-H44 PolarHBondContact O-N 3.4Å; I42-A45 PolarHBondContact O-N 3.27Å; I42-A45 VanDerWaalsContact O-N 3.15Å; I42-I46 HydrophobicContact CG2-CD1 3.56Å; I42-I46 HydrophobicContact CG2-CG1 4.21Å; I42-I46 VanDerWaalsContact O-CG1 3.3Å; I42-I46 WeakPolarHBondContact O-CG1 3.36Å; I42-I46 PolarHBondContact O-N 2.8Å; I42-W86 HydrophobicContact CD1-CH2 3.87Å; I42-W86 HydrophobicContact CD1-CZ3 4.05Å; I42-W86 HydrophobicContact CG2-CE3 3.94Å; I42-W86 HydrophobicContact CG2-CZ3 3.7Å
43	K	53.4	Low	46.9	Very low	56 Å²	56	43.3 Å²	43.3	24%	0.243	24%	0.242	C	C	.	.	H	α-helix	trans	-51.4	-50.8	174.8	-76.9	178.3	176.3	-169.5	0	111.7	S39 A40 A45 I46 N47 D85 W86	S39-K43 WeakPolarHBondContact O-CB 3.39Å; S39-K43 VanDerWaalsContact O-CG 3.26Å; S39-K43 WeakPolarHBondContact O-CG 3.46Å; S39-K43 PolarHBondContact O-N 2.8Å; A40-K43 PolarHBondContact O-N 3.16Å; K43-A45 VanDerWaalsContact C-N 3.32Å; K43-A45 PolarHBondContact O-N 3.17Å; K43-I46 PolarHBondContact O-N 3.48Å; K43-N47 VanDerWaalsContact O-CB 3.32Å; K43-N47 WeakPolarHBondContact O-CB 3.29Å; K43-N47 PolarHBondContact O-N 3.46Å; K43-D85 PolarHBondContact NZ-O 3.18Å; K43-W86 VanDerWaalsContact CE-O 3.23Å; K43-W86 WeakPolarHBondContact CE-O 3.26Å; K43-W86 HydrophobicContact CG-CB 4.44Å; K43-W86 WeakPolarHBondContact CG-O 3.49Å
44	H	53.2	Low	47.1	Very low	51 Å²	51	42.8 Å²	42.8	24%	0.236	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-40.8	-179.9	-87.3	-51.6	0	0	0	112.9	K29 A40 S41 I42 W48	K29-H44 WeakPolarHBondContact CD-NE2 3.34Å; A40-H44 WeakPolarHBondContact O-CB 3.35Å; A40-H44 PolarHBondContact O-CD2 3.15Å; A40-H44 VanDerWaalsContact O-CD2 3.23Å; A40-H44 PolarHBondContact O-N 3Å; S41-H44 PolarHBondContact O-N 3.14Å; I42-H44 VanDerWaalsContact C-N 3.32Å; I42-H44 PolarHBondContact O-N 3.4Å; H44-W48 WeakPolarHBondContact O-CB 3.25Å; H44-W48 PolarHBondContact O-N 2.94Å
45	A	52	Low	47.3	Very low	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72.7	-35.3	-177.8	0	0	0	0	0	111	I20 S41 I42 K43 W48 V49 T68 L74	I20-A45 HydrophobicContact CD1-CB 4.04Å; S41-A45 WeakPolarHBondContact O-CB 3.41Å; S41-A45 PolarHBondContact O-N 2.89Å; I42-A45 PolarHBondContact O-N 3.27Å; I42-A45 VanDerWaalsContact O-N 3.15Å; K43-A45 VanDerWaalsContact C-N 3.32Å; K43-A45 PolarHBondContact O-N 3.17Å; A45-W48 WeakPolarHBondContact O-CB 3.19Å; A45-W48 PolarHBondContact O-N 3.19Å; A45-V49 WeakPolarHBondContact O-CG2 3.49Å; A45-V49 PolarHBondContact O-N 2.82Å; A45-T68 HydrophobicContact CB-CG2 3.04Å; A45-L74 HydrophobicContact CB-CD1 3.68Å
46	I	50.8	Low	47.4	Very low	0 Å²	0	34 Å²	34	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-47.6	172.1	-65.3	166.7	0	0	0	111.1	I42 K43 W48 V49 Y50 Y61 A64 A65 T68	I42-I46 HydrophobicContact CG2-CD1 3.56Å; I42-I46 HydrophobicContact CG2-CG1 4.21Å; I42-I46 VanDerWaalsContact O-CG1 3.3Å; I42-I46 WeakPolarHBondContact O-CG1 3.36Å; I42-I46 PolarHBondContact O-N 2.8Å; K43-I46 PolarHBondContact O-N 3.48Å; I46-W48 PolarHBondContact O-N 3.27Å; I46-V49 WeakPolarHBondContact O-CA 3.35Å; I46-V49 WeakPolarHBondContact O-CB 3.25Å; I46-V49 PolarHBondContact O-N 3.23Å; I46-V49 VanDerWaalsContact O-N 3.07Å; I46-Y50 HydrophobicContact CG2-CD2 3.75Å; I46-Y50 HydrophobicContact CG2-CE2 3.59Å; I46-Y50 VanDerWaalsContact O-CD2 3.32Å; I46-Y50 WeakPolarHBondContact O-CD2 3.38Å; I46-Y50 PolarHBondContact O-N 3.5Å; I46-Y61 HydrophobicContact CB-CE2 4.2Å; I46-Y61 HydrophobicContact CD1-CE1 3.96Å; I46-Y61 HydrophobicContact CD1-CE2 3.9Å; I46-Y61 VanDerWaalsContact CD1-CZ 3.42Å; I46-Y61 WeakPolarHBondContact CD1-OH 3.34Å; I46-Y61 HydrophobicContact CG2-CD2 3.66Å; I46-Y61 HydrophobicContact CG2-CE2 3.36Å; I46-A64 HydrophobicContact CG2-CB 4.37Å; I46-A65 HydrophobicContact CD1-CB 3.41Å; I46-A65 VanDerWaalsContact CD1-CB 3.41Å; I46-A65 HydrophobicContact CG1-CB 3.95Å; I46-T68 WeakPolarHBondContact CA-OG1 3.49Å; I46-T68 HydrophobicContact CG1-CG2 4.12Å
47	N	53	Low	47.3	Very low	39 Å²	39	41.5 Å²	41.5	21%	0.209	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-39	174.8	-84.1	-12.3	0	0	0	111.8	K43 Y50 S51 D89 P91	K43-N47 VanDerWaalsContact O-CB 3.32Å; K43-N47 WeakPolarHBondContact O-CB 3.29Å; K43-N47 PolarHBondContact O-N 3.46Å; N47-Y50 PolarHBondContact O-N 3.49Å; N47-S51 WeakPolarHBondContact O-CB 3.34Å; N47-S51 PolarHBondContact O-N 3.41Å; N47-S51 PolarHBondContact O-OG 2.89Å; N47-D89 PolarHBondContact ND2-O 3.04Å; N47-P91 HydrophobicContact CB-CG 3.67Å
48	W	51.5	Low	47.2	Very low	23 Å²	23	43.8 Å²	43.8	9%	0.087	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-48.4	173.1	-179.7	86.4	0	0	0	111.1	L19 H44 A45 I46 Y50 S51 S52 L54 H72	L19-W48 HydrophobicContact CB-CH2 4.09Å; L19-W48 HydrophobicContact CD1-CH2 4.3Å; H44-W48 WeakPolarHBondContact O-CB 3.25Å; H44-W48 PolarHBondContact O-N 2.94Å; A45-W48 WeakPolarHBondContact O-CB 3.19Å; A45-W48 PolarHBondContact O-N 3.19Å; I46-W48 PolarHBondContact O-N 3.27Å; W48-Y50 VanDerWaalsContact C-N 3.31Å; W48-Y50 PolarHBondContact O-N 3.44Å; W48-S51 WeakPolarHBondContact CA-OG 3.39Å; W48-S51 PolarHBondContact O-N 3.35Å; W48-S51 PolarHBondContact O-OG 2.92Å; W48-S52 VanDerWaalsContact O-CB 3.23Å; W48-S52 WeakPolarHBondContact O-CB 3.08Å; W48-S52 PolarHBondContact O-N 2.91Å; W48-S52 PolarHBondContact O-OG 3.32Å; W48-L54 HydrophobicContact CH2-CD1 3.66Å; W48-L54 HydrophobicContact CZ3-CD1 3.57Å; W48-H72 AromaticContact CE3-CE1 3.55Å; W48-H72 AromaticContact CE3-NE2 3.28Å; W48-H72 VanDerWaalsContact CE3-NE2 3.28Å; W48-H72 AromaticContact CZ3-CE1 3.57Å; W48-H72 AromaticContact CZ3-NE2 3.38Å; W48-H72 WeakPolarHBondContact CZ3-NE2 3.31Å
49	V	49.7	Very low	47	Very low	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-55	-44.3	176.5	170.5	0	0	0	0	111.6	A45 I46 S52 F55 A64 T68	A45-V49 WeakPolarHBondContact O-CG2 3.49Å; A45-V49 PolarHBondContact O-N 2.82Å; I46-V49 WeakPolarHBondContact O-CA 3.35Å; I46-V49 WeakPolarHBondContact O-CB 3.25Å; I46-V49 PolarHBondContact O-N 3.23Å; I46-V49 VanDerWaalsContact O-N 3.07Å; V49-S52 PolarHBondContact O-N 3.09Å; V49-S52 PolarHBondContact O-OG 3.15Å; V49-F55 HydrophobicContact CG1-CB 4.48Å; V49-F55 HydrophobicContact CG1-CD2 3.06Å; V49-F55 HydrophobicContact CG1-CE2 3.41Å; V49-F55 VanDerWaalsContact CG1-CE2 3.41Å; V49-F55 HydrophobicContact CG1-CG 3.96Å; V49-A64 HydrophobicContact CG1-CB 4.18Å; V49-T68 WeakPolarHBondContact CG2-OG1 3.4Å
50	Y	48.5	Very low	47	Very low	53 Å²	53	38.9 Å²	38.9	21%	0.208	20%	0.197	C	C	.	.	H	α-helix	trans	-66.6	-47.1	174.3	-78.9	-68.6	0	0	0	113.6	I46 N47 W48 S52 G53 T59 Y61 A64	I46-Y50 HydrophobicContact CG2-CD2 3.75Å; I46-Y50 HydrophobicContact CG2-CE2 3.59Å; I46-Y50 VanDerWaalsContact O-CD2 3.32Å; I46-Y50 WeakPolarHBondContact O-CD2 3.38Å; I46-Y50 PolarHBondContact O-N 3.5Å; N47-Y50 PolarHBondContact O-N 3.49Å; W48-Y50 VanDerWaalsContact C-N 3.31Å; W48-Y50 PolarHBondContact O-N 3.44Å; Y50-S52 PolarHBondContact O-N 3.42Å; Y50-G53 PolarHBondContact O-N 3.03Å; Y50-T59 WeakPolarHBondContact CE1-O 3.34Å; Y50-T59 PolarHBondContact OH-O 2.94Å; Y50-Y61 AromaticContact CE2-CD2 3.95Å; Y50-Y61 HydrophobicContact CE2-CD2 3.95Å; Y50-Y61 WeakPolarHBondContact OH-CA 3.34Å; Y50-Y61 PolarHBondContact OH-N 2.93Å; Y50-Y61 VanDerWaalsContact OH-N 3.08Å; Y50-A64 HydrophobicContact CE2-CB 3.85Å
51	S	46.3	Very low	46.9	Very low	39 Å²	39	40.3 Å²	40.3	27%	0.273	20%	0.2	S	C	.	.	H	α-helix	trans	-65.6	-23.4	-179.7	68.8	0	0	0	0	113	N47 W48 G53	N47-S51 WeakPolarHBondContact O-CB 3.34Å; N47-S51 PolarHBondContact O-N 3.41Å; N47-S51 PolarHBondContact O-OG 2.89Å; W48-S51 WeakPolarHBondContact CA-OG 3.39Å; W48-S51 PolarHBondContact O-N 3.35Å; W48-S51 PolarHBondContact O-OG 2.92Å; S51-G53 VanDerWaalsContact C-N 3.29Å; S51-G53 PolarHBondContact O-N 2.86Å
52	S	44.7	Very low	46.8	Very low	5 Å²	5	42.7 Å²	42.7	4%	0.035	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-16.5	-177.5	72.1	0	0	0	0	114	W48 V49 Y50 L54 I96	W48-S52 VanDerWaalsContact O-CB 3.23Å; W48-S52 WeakPolarHBondContact O-CB 3.08Å; W48-S52 PolarHBondContact O-N 2.91Å; W48-S52 PolarHBondContact O-OG 3.32Å; V49-S52 PolarHBondContact O-N 3.09Å; V49-S52 PolarHBondContact O-OG 3.15Å; Y50-S52 PolarHBondContact O-N 3.42Å; S52-L54 PolarHBondContact O-N 3.43Å; S52-L54 VanDerWaalsContact OG-CB 3.23Å; S52-L54 WeakPolarHBondContact OG-CB 3.37Å; S52-L54 VanDerWaalsContact OG-CD1 3.27Å; S52-L54 WeakPolarHBondContact OG-CD1 3.36Å; S52-L54 WeakPolarHBondContact OG-CG 3.23Å; S52-L54 PolarHBondContact OG-N 3.02Å; S52-L54 VanDerWaalsContact OG-N 3.16Å; S52-I96 WeakPolarHBondContact O-CD1 3.16Å
53	G	41.7	Very low	46.9	Very low	50 Å²	50	42.3 Å²	42.3	52%	0.515	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	6.6	-170	0	0	0	0	0	114.2	Y50 S51 F55	Y50-G53 PolarHBondContact O-N 3.03Å; S51-G53 VanDerWaalsContact C-N 3.29Å; S51-G53 PolarHBondContact O-N 2.86Å; G53-F55 PolarHBondContact O-N 2.79Å
54	L	39.8	Very low	46.9	Very low	14 Å²	14	39.7 Å²	39.7	7%	0.073	19%	0.194	C	C	.	.	S	Bend	trans	-58.7	-27.6	172.7	-72.1	171.3	0	0	0	111.8	W48 S52 L105	W48-L54 HydrophobicContact CH2-CD1 3.66Å; W48-L54 HydrophobicContact CZ3-CD1 3.57Å; S52-L54 PolarHBondContact O-N 3.43Å; S52-L54 VanDerWaalsContact OG-CB 3.23Å; S52-L54 WeakPolarHBondContact OG-CB 3.37Å; S52-L54 VanDerWaalsContact OG-CD1 3.27Å; S52-L54 WeakPolarHBondContact OG-CD1 3.36Å; S52-L54 WeakPolarHBondContact OG-CG 3.23Å; S52-L54 PolarHBondContact OG-N 3.02Å; S52-L54 VanDerWaalsContact OG-N 3.16Å; L54-L105 HydrophobicContact CD2-CD2 3.49Å; L54-L105 VanDerWaalsContact CD2-CD2 3.49Å; L54-L105 HydrophobicContact CD2-CG 3.99Å
55	F	40.5	Very low	46.7	Very low	19 Å²	19	37.3 Å²	37.3	8%	0.083	18%	0.183	C	C	.	.	S	Bend	trans	-116.4	140.7	172.2	-73.6	-93.9	0	0	0	108.2	V49 G53 R57 T59 W67 I119	V49-F55 HydrophobicContact CG1-CB 4.48Å; V49-F55 HydrophobicContact CG1-CD2 3.06Å; V49-F55 HydrophobicContact CG1-CE2 3.41Å; V49-F55 VanDerWaalsContact CG1-CE2 3.41Å; V49-F55 HydrophobicContact CG1-CG 3.96Å; G53-F55 PolarHBondContact O-N 2.79Å; F55-R57 PolarHBondContact O-N 2.91Å; F55-T59 HydrophobicContact CB-CG2 4.27Å; F55-T59 HydrophobicContact CD1-CG2 3.39Å; F55-T59 HydrophobicContact CE1-CG2 4.17Å; F55-T59 HydrophobicContact CG-CG2 4.18Å; F55-W67 HydrophobicContact CE1-CB 4.35Å; F55-W67 HydrophobicContact CE1-CG 4.43Å; F55-W67 HydrophobicContact CE2-CB 3.97Å; F55-W67 AromaticContact CE2-CD1 3.27Å; F55-W67 AromaticContact CE2-CD2 3.99Å; F55-W67 HydrophobicContact CE2-CD2 3.99Å; F55-W67 AromaticContact CE2-CG 3.45Å; F55-W67 HydrophobicContact CE2-CG 3.45Å; F55-W67 VanDerWaalsContact CE2-CG 3.45Å; F55-W67 AromaticContact CE2-NE1 3.67Å; F55-W67 HydrophobicContact CZ-CB 3.46Å; F55-W67 VanDerWaalsContact CZ-CB 3.46Å; F55-W67 AromaticContact CZ-CD1 3.59Å; F55-W67 AromaticContact CZ-CD2 3.59Å; F55-W67 HydrophobicContact CZ-CD2 3.59Å; F55-W67 HydrophobicContact CZ-CE3 4.19Å; F55-W67 AromaticContact CZ-CG 3.21Å; F55-W67 HydrophobicContact CZ-CG 3.21Å; F55-I119 HydrophobicContact CE1-CD1 3.96Å
56	P	40.3	Very low	46.6	Very low	84 Å²	84	37.4 Å²	37.4	55%	0.545	18%	0.184	S	C	.	.			trans	-46.7	137.8	164.6	-24.8	30.9	0	0	0	108.6	Y58 T59	P56-Y58 PolarHBondContact O-N 3.17Å; P56-T59 WeakPolarHBondContact CD-OG1 3.5Å; P56-T59 WeakPolarHBondContact O-CB 3.21Å; P56-T59 PolarHBondContact O-N 2.89Å; P56-T59 PolarHBondContact O-OG1 3.35Å
57	R	40.7	Very low	46.6	Very low	200 Å²	200	38.7 Å²	38.7	76%	0.755	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-22.1	-178.7	-75.7	-176.6	175.6	178.8	-2.1	113.2	F55	F55-R57 PolarHBondContact O-N 2.91Å
58	Y	43.2	Very low	46.5	Very low	118 Å²	118	36.9 Å²	36.9	46%	0.463	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	20.9	-178.7	-41	-65.3	0	0	0	114.2	P56 K123 T257	P56-Y58 PolarHBondContact O-N 3.17Å; Y58-K123 VanDerWaalsContact C-NZ 3.35Å; Y58-K123 WeakPolarHBondContact O-CE 3.38Å; Y58-K123 PolarHBondContact O-NZ 3.17Å; Y58-T257 HydrophobicContact CE1-CG2 4.03Å
59	T	41.6	Very low	46.2	Very low	4 Å²	4	37.7 Å²	37.7	3%	0.025	19%	0.185	C	C	.	.	S	Bend	trans	-76.6	136	174.8	-53.7	0	0	0	0	110.3	Y50 F55 P56 Y61 A63 I119 K123	Y50-T59 WeakPolarHBondContact CE1-O 3.34Å; Y50-T59 PolarHBondContact OH-O 2.94Å; F55-T59 HydrophobicContact CB-CG2 4.27Å; F55-T59 HydrophobicContact CD1-CG2 3.39Å; F55-T59 HydrophobicContact CE1-CG2 4.17Å; F55-T59 HydrophobicContact CG-CG2 4.18Å; P56-T59 WeakPolarHBondContact CD-OG1 3.5Å; P56-T59 WeakPolarHBondContact O-CB 3.21Å; P56-T59 PolarHBondContact O-N 2.89Å; P56-T59 PolarHBondContact O-OG1 3.35Å; T59-Y61 PolarHBondContact O-N 3.07Å; T59-A63 HydrophobicContact CG2-CB 4.19Å; T59-I119 HydrophobicContact CG2-CG2 4.03Å; T59-K123 VanDerWaalsContact CA-NZ 3.29Å
60	D	47.9	Very low	46	Very low	25 Å²	25	40 Å²	40	13%	0.134	20%	0.197	C	C	.	.			trans	-48	130.3	173	171.3	17.1	0	0	0	110.2	Y62 A63 A64 H161	D60-Y62 PolarHBondContact O-N 3.3Å; D60-Y62 WeakPolarHBondContact OD1-CD2 3.3Å; D60-Y62 PolarHBondContact OD1-N 3.36Å; D60-A63 HydrophobicContact CB-CB 4.21Å; D60-A63 WeakPolarHBondContact O-CB 3.39Å; D60-A63 PolarHBondContact O-N 3.33Å; D60-A63 VanDerWaalsContact O-N 3.15Å; D60-A64 PolarHBondContact O-N 2.83Å; D60-H161 IonicContact OD1-CD2 2.69Å; D60-H161 PolarHBondContact OD1-CD2 3.37Å; D60-H161 IonicContact OD1-NE2 3.68Å; D60-H161 IonicContact OD2-CD2 3.72Å; D60-H161 PolarHBondContact OD2-CD2 3.41Å; D60-H161 IonicContact OD2-CG 3.4Å
61	Y	49.1	Very low	45.9	Very low	46 Å²	46	39 Å²	39	18%	0.18	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-36.9	178.1	177.7	-87.4	0	0	0	111.9	I46 Y50 T59 A64 A65 W86	I46-Y61 HydrophobicContact CB-CE2 4.2Å; I46-Y61 HydrophobicContact CD1-CE1 3.96Å; I46-Y61 HydrophobicContact CD1-CE2 3.9Å; I46-Y61 VanDerWaalsContact CD1-CZ 3.42Å; I46-Y61 WeakPolarHBondContact CD1-OH 3.34Å; I46-Y61 HydrophobicContact CG2-CD2 3.66Å; I46-Y61 HydrophobicContact CG2-CE2 3.36Å; Y50-Y61 AromaticContact CE2-CD2 3.95Å; Y50-Y61 HydrophobicContact CE2-CD2 3.95Å; Y50-Y61 WeakPolarHBondContact OH-CA 3.34Å; Y50-Y61 PolarHBondContact OH-N 2.93Å; Y50-Y61 VanDerWaalsContact OH-N 3.08Å; T59-Y61 PolarHBondContact O-N 3.07Å; Y61-A64 PolarHBondContact O-N 3.29Å; Y61-A65 HydrophobicContact CE1-CB 4.41Å; Y61-A65 WeakPolarHBondContact O-CB 3.27Å; Y61-A65 PolarHBondContact O-N 3.32Å; Y61-W86 WeakPolarHBondContact OH-CB 3.36Å
62	Y	47.1	Very low	45.8	Very low	63 Å²	63	37.7 Å²	37.7	25%	0.247	19%	0.189	C	C	.	.	H	α-helix	trans	-67.3	-38.5	177.2	-63.6	-76	0	0	0	111.7	D60 A65 A66 P82 H161 T165	D60-Y62 PolarHBondContact O-N 3.3Å; D60-Y62 WeakPolarHBondContact OD1-CD2 3.3Å; D60-Y62 PolarHBondContact OD1-N 3.36Å; Y62-A65 PolarHBondContact O-N 3.33Å; Y62-A66 VanDerWaalsContact O-CB 3.28Å; Y62-A66 WeakPolarHBondContact O-CB 3.23Å; Y62-A66 PolarHBondContact O-N 2.74Å; Y62-P82 HydrophobicContact CD1-CB 4.38Å; Y62-P82 HydrophobicContact CE1-CB 4.24Å; Y62-H161 HydrophobicContact CD2-CB 4.27Å; Y62-T165 WeakPolarHBondContact CB-OG1 3.07Å
63	A	50.5	Low	45.5	Very low	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-42.3	172.5	0	0	0	0	0	112	T59 D60 A65 A66 W67 I119	T59-A63 HydrophobicContact CG2-CB 4.19Å; D60-A63 HydrophobicContact CB-CB 4.21Å; D60-A63 WeakPolarHBondContact O-CB 3.39Å; D60-A63 PolarHBondContact O-N 3.33Å; D60-A63 VanDerWaalsContact O-N 3.15Å; A63-A65 VanDerWaalsContact C-N 3.35Å; A63-A66 PolarHBondContact O-N 3.17Å; A63-W67 WeakPolarHBondContact O-CB 3.46Å; A63-W67 PolarHBondContact O-N 3.16Å; A63-I119 HydrophobicContact CB-CD1 3.91Å; A63-I119 HydrophobicContact CB-CG1 4.02Å
64	A	52.6	Low	45.3	Very low	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-39.9	174.2	0	0	0	0	0	111.6	I46 V49 Y50 D60 Y61 W67 T68	I46-A64 HydrophobicContact CG2-CB 4.37Å; V49-A64 HydrophobicContact CG1-CB 4.18Å; Y50-A64 HydrophobicContact CE2-CB 3.85Å; D60-A64 PolarHBondContact O-N 2.83Å; Y61-A64 PolarHBondContact O-N 3.29Å; A64-W67 PolarHBondContact O-N 3.02Å; A64-T68 VanDerWaalsContact O-CB 3.24Å; A64-T68 WeakPolarHBondContact O-CB 3.32Å; A64-T68 PolarHBondContact O-N 3.25Å; A64-T68 PolarHBondContact O-OG1 3.05Å
65	A	49.9	Very low	45	Very low	1 Å²	1	43.1 Å²	43.1	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-48.4	175.4	0	0	0	0	0	112.3	I46 Y61 Y62 A63 W67 T68 I69	I46-A65 HydrophobicContact CD1-CB 3.41Å; I46-A65 VanDerWaalsContact CD1-CB 3.41Å; I46-A65 HydrophobicContact CG1-CB 3.95Å; Y61-A65 HydrophobicContact CE1-CB 4.41Å; Y61-A65 WeakPolarHBondContact O-CB 3.27Å; Y61-A65 PolarHBondContact O-N 3.32Å; Y62-A65 PolarHBondContact O-N 3.33Å; A63-A65 VanDerWaalsContact C-N 3.35Å; A65-W67 VanDerWaalsContact C-N 3.32Å; A65-W67 PolarHBondContact O-N 3.4Å; A65-T68 WeakPolarHBondContact O-CB 3.3Å; A65-T68 PolarHBondContact O-N 3.49Å; A65-T68 VanDerWaalsContact O-N 3.15Å; A65-I69 WeakPolarHBondContact O-CB 3.46Å; A65-I69 WeakPolarHBondContact O-CD1 3.47Å; A65-I69 VanDerWaalsContact O-CG1 3.25Å; A65-I69 WeakPolarHBondContact O-CG1 3.19Å; A65-I69 PolarHBondContact O-N 3.46Å
66	A	49.5	Very low	44.6	Very low	3 Å²	3	44.2 Å²	44.2	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-58.2	-47.3	174.4	0	0	0	0	0	110.3	Y62 A63 T68 I69 L70 T165 V168 L169	Y62-A66 VanDerWaalsContact O-CB 3.28Å; Y62-A66 WeakPolarHBondContact O-CB 3.23Å; Y62-A66 PolarHBondContact O-N 2.74Å; A63-A66 PolarHBondContact O-N 3.17Å; A66-T68 VanDerWaalsContact C-N 3.33Å; A66-T68 PolarHBondContact O-N 2.66Å; A66-I69 PolarHBondContact O-N 2.97Å; A66-L70 WeakPolarHBondContact O-CB 3.26Å; A66-L70 WeakPolarHBondContact O-CG 3.42Å; A66-L70 PolarHBondContact O-N 3.38Å; A66-T165 HydrophobicContact CB-CG2 4.25Å; A66-V168 HydrophobicContact CB-CG1 4.08Å; A66-L169 HydrophobicContact CB-CD2 4.05Å; A66-L169 HydrophobicContact CB-CG 4.28Å
67	W	50.9	Low	44.1	Very low	27 Å²	27	46.9 Å²	46.9	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-44.1	174.3	179.1	-94.5	0	0	0	112.5	F55 A63 A64 A65 I69 L70 A71 A108 F112	F55-W67 HydrophobicContact CE1-CB 4.35Å; F55-W67 HydrophobicContact CE1-CG 4.43Å; F55-W67 HydrophobicContact CE2-CB 3.97Å; F55-W67 AromaticContact CE2-CD1 3.27Å; F55-W67 AromaticContact CE2-CD2 3.99Å; F55-W67 HydrophobicContact CE2-CD2 3.99Å; F55-W67 AromaticContact CE2-CG 3.45Å; F55-W67 HydrophobicContact CE2-CG 3.45Å; F55-W67 VanDerWaalsContact CE2-CG 3.45Å; F55-W67 AromaticContact CE2-NE1 3.67Å; F55-W67 HydrophobicContact CZ-CB 3.46Å; F55-W67 VanDerWaalsContact CZ-CB 3.46Å; F55-W67 AromaticContact CZ-CD1 3.59Å; F55-W67 AromaticContact CZ-CD2 3.59Å; F55-W67 HydrophobicContact CZ-CD2 3.59Å; F55-W67 HydrophobicContact CZ-CE3 4.19Å; F55-W67 AromaticContact CZ-CG 3.21Å; F55-W67 HydrophobicContact CZ-CG 3.21Å; A63-W67 WeakPolarHBondContact O-CB 3.46Å; A63-W67 PolarHBondContact O-N 3.16Å; A64-W67 PolarHBondContact O-N 3.02Å; A65-W67 VanDerWaalsContact C-N 3.32Å; A65-W67 PolarHBondContact O-N 3.4Å; W67-I69 VanDerWaalsContact C-N 3.33Å; W67-I69 PolarHBondContact O-N 3.43Å; W67-L70 PolarHBondContact O-N 3.34Å; W67-A71 HydrophobicContact CD2-CB 4.46Å; W67-A71 HydrophobicContact CZ2-CB 4.22Å; W67-A71 VanDerWaalsContact O-CB 3.26Å; W67-A71 WeakPolarHBondContact O-CB 3.38Å; W67-A71 PolarHBondContact O-N 3.17Å; W67-A108 HydrophobicContact CH2-CB 4.33Å; W67-A108 HydrophobicContact CZ2-CB 3.76Å; W67-F112 HydrophobicContact CZ3-CB 4.32Å
68	T	51.3	Low	43.6	Very low	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-47.6	179.4	-63	0	0	0	0	110.9	A45 I46 V49 A64 A65 A66 L70 H72 L74	A45-T68 HydrophobicContact CB-CG2 3.04Å; I46-T68 WeakPolarHBondContact CA-OG1 3.49Å; I46-T68 HydrophobicContact CG1-CG2 4.12Å; V49-T68 WeakPolarHBondContact CG2-OG1 3.4Å; A64-T68 VanDerWaalsContact O-CB 3.24Å; A64-T68 WeakPolarHBondContact O-CB 3.32Å; A64-T68 PolarHBondContact O-N 3.25Å; A64-T68 PolarHBondContact O-OG1 3.05Å; A65-T68 WeakPolarHBondContact O-CB 3.3Å; A65-T68 PolarHBondContact O-N 3.49Å; A65-T68 VanDerWaalsContact O-N 3.15Å; A66-T68 VanDerWaalsContact C-N 3.33Å; A66-T68 PolarHBondContact O-N 2.66Å; T68-L70 PolarHBondContact O-N 3.42Å; T68-H72 WeakPolarHBondContact O-CB 3.49Å; T68-H72 PolarHBondContact O-CD2 2.75Å; T68-H72 VanDerWaalsContact O-CD2 3.3Å; T68-H72 PolarHBondContact O-N 3.29Å; T68-L74 HydrophobicContact CG2-CD1 4.17Å
69	I	44.1	Very low	43	Very low	40 Å²	40	45.5 Å²	45.5	21%	0.205	25%	0.25	C	C	.	.	H	α-helix	trans	-55.5	-44.6	176.6	-74.6	165	0	0	0	110.3	A65 A66 W67 G73 L74	A65-I69 WeakPolarHBondContact O-CB 3.46Å; A65-I69 WeakPolarHBondContact O-CD1 3.47Å; A65-I69 VanDerWaalsContact O-CG1 3.25Å; A65-I69 WeakPolarHBondContact O-CG1 3.19Å; A65-I69 PolarHBondContact O-N 3.46Å; A66-I69 PolarHBondContact O-N 2.97Å; W67-I69 VanDerWaalsContact C-N 3.33Å; W67-I69 PolarHBondContact O-N 3.43Å; I69-G73 PolarHBondContact O-N 3.18Å; I69-L74 WeakPolarHBondContact CG2-O 3.32Å; I69-L74 PolarHBondContact O-N 3.38Å
70	L	45.7	Very low	42.4	Very low	49 Å²	49	47.3 Å²	47.3	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-72	-53.1	-179.6	-66.6	171.4	0	0	0	113.3	A66 W67 T68 H72 G73 V168 A172 V174	A66-L70 WeakPolarHBondContact O-CB 3.26Å; A66-L70 WeakPolarHBondContact O-CG 3.42Å; A66-L70 PolarHBondContact O-N 3.38Å; W67-L70 PolarHBondContact O-N 3.34Å; T68-L70 PolarHBondContact O-N 3.42Å; L70-H72 PolarHBondContact O-N 3.48Å; L70-G73 PolarHBondContact O-N 2.94Å; L70-V168 HydrophobicContact CD1-CG1 3.84Å; L70-A172 HydrophobicContact CD1-CB 3.51Å; L70-A172 HydrophobicContact CD2-CB 3.42Å; L70-A172 VanDerWaalsContact CD2-CB 3.42Å; L70-A172 HydrophobicContact CG-CB 4.08Å; L70-V174 HydrophobicContact CD2-CG2 3.74Å
71	A	47	Very low	41.6	Very low	32 Å²	32	50.5 Å²	50.5	26%	0.264	29%	0.286	S	S	.	.	H	α-helix	trans	-70.2	-31.3	-172.7	0	0	0	0	0	113	W67	W67-A71 HydrophobicContact CD2-CB 4.46Å; W67-A71 HydrophobicContact CZ2-CB 4.22Å; W67-A71 VanDerWaalsContact O-CB 3.26Å; W67-A71 WeakPolarHBondContact O-CB 3.38Å; W67-A71 PolarHBondContact O-N 3.17Å
72	H	44.5	Very low	41	Very low	11 Å²	11	49.7 Å²	49.7	5%	0.051	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	1.9	179.2	-63.8	-82	0	0	0	113.1	L19 I20 W48 T68 L70 L74	L19-H72 WeakPolarHBondContact CB-CE1 3.25Å; I20-H72 HydrophobicContact CD1-CB 4.49Å; I20-H72 HydrophobicContact CG1-CB 4.44Å; I20-H72 VanDerWaalsContact CG1-ND1 3.3Å; I20-H72 WeakPolarHBondContact CG1-ND1 3.2Å; W48-H72 AromaticContact CE3-CE1 3.55Å; W48-H72 AromaticContact CE3-NE2 3.28Å; W48-H72 VanDerWaalsContact CE3-NE2 3.28Å; W48-H72 AromaticContact CZ3-CE1 3.57Å; W48-H72 AromaticContact CZ3-NE2 3.38Å; W48-H72 WeakPolarHBondContact CZ3-NE2 3.31Å; T68-H72 WeakPolarHBondContact O-CB 3.49Å; T68-H72 PolarHBondContact O-CD2 2.75Å; T68-H72 VanDerWaalsContact O-CD2 3.3Å; T68-H72 PolarHBondContact O-N 3.29Å; L70-H72 PolarHBondContact O-N 3.48Å; H72-L74 HydrophobicContact CB-CD1 3.99Å; H72-L74 HydrophobicContact CB-CG 3.83Å; H72-L74 PolarHBondContact O-N 3Å; H72-L74 VanDerWaalsContact O-N 3.16Å
73	G	38	Very low	40.4	Very low	43 Å²	43	49.9 Å²	49.9	44%	0.443	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	26.1	-175.8	0	0	0	0	0	112.1	I69 L70 V75	I69-G73 PolarHBondContact O-N 3.18Å; L70-G73 PolarHBondContact O-N 2.94Å; G73-V75 PolarHBondContact O-N 3.35Å
74	L	37.8	Very low	39.5	Very low	33 Å²	33	53 Å²	53	17%	0.173	32%	0.316	C	S	.	.			trans	-75.6	58	173.2	-63.3	169.5	0	0	0	107.6	A45 T68 I69 H72 C76	A45-L74 HydrophobicContact CB-CD1 3.68Å; T68-L74 HydrophobicContact CG2-CD1 4.17Å; I69-L74 WeakPolarHBondContact CG2-O 3.32Å; I69-L74 PolarHBondContact O-N 3.38Å; H72-L74 HydrophobicContact CB-CD1 3.99Å; H72-L74 HydrophobicContact CB-CG 3.83Å; H72-L74 PolarHBondContact O-N 3Å; H72-L74 VanDerWaalsContact O-N 3.16Å; L74-C76 PolarHBondContact O-N 2.89Å; L74-C76 PolarHBondContact O-SG 2.69Å
75	V	33.2	Very low	38.5	Very low	107 Å²	107	58.7 Å²	58.7	65%	0.648	35%	0.347	S	S	*	.			trans	-65	79.2	167.1	-176.8	0	0	0	0	105.4	G73 Q77	G73-V75 PolarHBondContact O-N 3.35Å; V75-Q77 PolarHBondContact O-N 2.97Å
76	C	32.1	Very low	37.7	Very low	42 Å²	42	60.8 Å²	60.8	28%	0.284	35%	0.354	S	S	.	.			trans	-67.2	107	172.7	-67.7	0	0	0	0	104.6	L74 Y78	L74-C76 PolarHBondContact O-N 2.89Å; L74-C76 PolarHBondContact O-SG 2.69Å; C76-Y78 PolarHBondContact O-N 2.61Å
77	Q	28.7	Very low	36.8	Very low	141 Å²	141	65.3 Å²	65.3	66%	0.659	38%	0.376	S	S	*	.			trans	-58.4	83.9	153.8	-85.2	-178.5	-16.3	0	0	106.4	V75	V75-Q77 PolarHBondContact O-N 2.97Å
78	Y	31.8	Very low	35.7	Very low	155 Å²	155	71.5 Å²	71.5	61%	0.608	40%	0.401	S	S	*	.			trans	-147.7	119	172.2	-113.9	-85.9	0	0	0	108.5	K38 C76 G80	K38-Y78 HydrophobicContact CD-CD2 3.85Å; K38-Y78 HydrophobicContact CD-CE2 3.76Å; C76-Y78 PolarHBondContact O-N 2.61Å; Y78-G80 PolarHBondContact O-N 3.15Å
79	S	30.4	Very low	34.8	Very low	133 Å²	133	78 Å²	78	93%	0.93	44%	0.436	S	S	*	.			trans	-77.6	38.3	176.4	52.4	0	0	0	0	111.9
80	G	28.7	Very low	34.1	Very low	43 Å²	43	84.3 Å²	84.3	44%	0.443	47%	0.469	S	S	.	.	S	Bend	trans	-145.8	134.2	-171.3	0	0	0	0	0	112.7	Y78	Y78-G80 PolarHBondContact O-N 3.15Å
81	L	31.4	Very low	33.6	Very low	91 Å²	91	84.9 Å²	84.9	48%	0.476	48%	0.475	S	S	.	.			trans	-64.3	146.3	-178.4	-55.7	163.6	0	0	0	111.2	T83 W162 I178	L81-T83 PolarHBondContact O-N 2.79Å; L81-W162 HydrophobicContact CD2-CH2 3.45Å; L81-W162 VanDerWaalsContact CD2-CH2 3.45Å; L81-W162 HydrophobicContact CD2-CZ2 4.17Å; L81-W162 HydrophobicContact CD2-CZ3 4.2Å; L81-W162 HydrophobicContact CG-CH2 4.44Å; L81-I178 HydrophobicContact CD2-CD1 4.02Å
82	P	34.9	Very low	32.8	Very low	29 Å²	29	94 Å²	94	19%	0.188	50%	0.502	C	S	.	.			trans	-54.7	120.3	159.3	-22.8	33.7	0	0	0	111.1	Y62 W86	Y62-P82 HydrophobicContact CD1-CB 4.38Å; Y62-P82 HydrophobicContact CE1-CB 4.24Å; P82-W86 VanDerWaalsContact CA-CZ3 3.5Å; P82-W86 HydrophobicContact CB-CD2 4.18Å; P82-W86 HydrophobicContact CB-CE3 3.52Å; P82-W86 HydrophobicContact CB-CH2 3.64Å; P82-W86 HydrophobicContact CB-CZ2 4.27Å; P82-W86 HydrophobicContact CB-CZ3 3.22Å; P82-W86 HydrophobicContact CG-CE3 4.23Å; P82-W86 HydrophobicContact CG-CH2 3.65Å; P82-W86 HydrophobicContact CG-CZ3 3.43Å; P82-W86 VanDerWaalsContact CG-CZ3 3.43Å
83	T	35.2	Very low	32.1	Very low	67 Å²	67	100.5 Å²	100.5	41%	0.411	54%	0.538	S	S	.	.			trans	-108.3	166.4	175.2	62.4	0	0	0	0	111.5	L81 D85 W86	L81-T83 PolarHBondContact O-N 2.79Å; T83-D85 PolarHBondContact O-N 3.42Å; T83-W86 WeakPolarHBondContact O-CB 3.24Å; T83-W86 PolarHBondContact O-N 3.45Å
84	S	31.4	Very low	32	Very low	66 Å²	66	104 Å²	104	46%	0.462	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-54.6	-22.5	178.5	52.4	0	0	0	0	114.8	W86 M87	S84-W86 PolarHBondContact O-N 3.45Å; S84-M87 VanDerWaalsContact CA-SD 3.51Å; S84-M87 VanDerWaalsContact CB-SD 3.56Å; S84-M87 WeakPolarHBondContact O-CB 3.39Å; S84-M87 WeakPolarHBondContact O-CG 3.46Å; S84-M87 PolarHBondContact O-N 2.85Å; S84-M87 VanDerWaalsContact O-SD 3.41Å
85	D	31.9	Very low	31.7	Very low	120 Å²	120	112.4 Å²	112.4	64%	0.642	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-68.3	-8.4	179.2	-55.3	-28.5	0	0	0	112	K43 T83 M87	K43-D85 PolarHBondContact NZ-O 3.18Å; T83-D85 PolarHBondContact O-N 3.42Å; D85-M87 VanDerWaalsContact C-N 3.26Å
86	W	33.2	Very low	31.8	Very low	44 Å²	44	109.4 Å²	109.4	17%	0.167	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-77.3	-11.9	172.5	-60.8	11.9	0	0	0	112.7	I42 K43 Y61 P82 T83 S84 Y88	I42-W86 HydrophobicContact CD1-CH2 3.87Å; I42-W86 HydrophobicContact CD1-CZ3 4.05Å; I42-W86 HydrophobicContact CG2-CE3 3.94Å; I42-W86 HydrophobicContact CG2-CZ3 3.7Å; K43-W86 VanDerWaalsContact CE-O 3.23Å; K43-W86 WeakPolarHBondContact CE-O 3.26Å; K43-W86 HydrophobicContact CG-CB 4.44Å; K43-W86 WeakPolarHBondContact CG-O 3.49Å; Y61-W86 WeakPolarHBondContact OH-CB 3.36Å; P82-W86 VanDerWaalsContact CA-CZ3 3.5Å; P82-W86 HydrophobicContact CB-CD2 4.18Å; P82-W86 HydrophobicContact CB-CE3 3.52Å; P82-W86 HydrophobicContact CB-CH2 3.64Å; P82-W86 HydrophobicContact CB-CZ2 4.27Å; P82-W86 HydrophobicContact CB-CZ3 3.22Å; P82-W86 HydrophobicContact CG-CE3 4.23Å; P82-W86 HydrophobicContact CG-CH2 3.65Å; P82-W86 HydrophobicContact CG-CZ3 3.43Å; P82-W86 VanDerWaalsContact CG-CZ3 3.43Å; T83-W86 WeakPolarHBondContact O-CB 3.24Å; T83-W86 PolarHBondContact O-N 3.45Å; S84-W86 PolarHBondContact O-N 3.45Å; W86-Y88 PolarHBondContact O-N 3.47Å
87	M	31.4	Very low	32.1	Very low	98 Å²	98	110.3 Å²	110.3	48%	0.483	56%	0.559	S	S	.	*			trans	-79.8	-4.9	-159.9	-68.4	171.8	100.9	0	0	118.2	S84 D85	S84-M87 VanDerWaalsContact CA-SD 3.51Å; S84-M87 VanDerWaalsContact CB-SD 3.56Å; S84-M87 WeakPolarHBondContact O-CB 3.39Å; S84-M87 WeakPolarHBondContact O-CG 3.46Å; S84-M87 PolarHBondContact O-N 2.85Å; S84-M87 VanDerWaalsContact O-SD 3.41Å; D85-M87 VanDerWaalsContact C-N 3.26Å
88	Y	28	Very low	32.5	Very low	158 Å²	158	109.1 Å²	109.1	62%	0.62	56%	0.562	S	S	*	*			trans	-123.7	100.9	-167.6	-63.4	-79.7	0	0	0	113.9	W86	W86-Y88 PolarHBondContact O-N 3.47Å
89	D	30.6	Very low	32.8	Very low	137 Å²	137	106.8 Å²	106.8	73%	0.733	56%	0.564	S	S	*	*				-175.2	107.2	125.7	-92.2	-22.3	0	0	0	108.1	N47 P91	N47-D89 PolarHBondContact ND2-O 3.04Å; D89-P91 WeakPolarHBondContact O-CD 3.41Å
90	L	30.7	Very low	33.2	Very low	172 Å²	172	103.4 Å²	103.4	90%	0.901	53%	0.534	S	S	*	.			trans	-56.1	117.4	176.5	-92.8	144.3	0	0	0	109.9	R92	L90-R92 PolarHBondContact O-N 3.34Å; L90-R92 VanDerWaalsContact O-N 3.09Å
91	P	34.2	Very low	33.6	Very low	60 Å²	60	102.8 Å²	102.8	39%	0.39	52%	0.521	S	S	.	.			trans	-74.4	106	177.1	2.7	11.2	0	0	0	109.2	N47 D89	N47-P91 HydrophobicContact CB-CG 3.67Å; D89-P91 WeakPolarHBondContact O-CD 3.41Å
92	R	31.2	Very low	33.7	Very low	223 Å²	223	104.2 Å²	104.2	84%	0.842	53%	0.525	S	S	*	.			trans	-67.7	129.4	161	-72.4	-175.7	-179.8	-173.8	-0.1	108.5	L90	L90-R92 PolarHBondContact O-N 3.34Å; L90-R92 VanDerWaalsContact O-N 3.09Å
93	D	30.3	Very low	34	Very low	149 Å²	149	107.1 Å²	107.1	80%	0.797	54%	0.539	S	S	*	.			trans	81.8	42.9	151.1	-45.2	-32.2	0	0	0	120.6
94	W	35	Very low	34	Very low	116 Å²	116	106.4 Å²	106.4	44%	0.439	53%	0.529	S	S	.	.			trans	-112.5	106.1	160.3	-92.7	-38.5	0	0	0	113.3	R24	R24-W94 HydrophobicContact CB-CZ2 4.42Å
95	K	31.8	Very low	34.1	Very low	210 Å²	210	105.3 Å²	105.3	91%	0.913	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-99.1	118.3	160.1	-87.1	-178	175.6	177.6	0	108.6
96	I	34.7	Very low	34.2	Very low	43 Å²	43	104.1 Å²	104.1	22%	0.221	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-90.7	155.3	164.7	36.6	173.1	0	0	0	110.7	S52 V101	S52-I96 WeakPolarHBondContact O-CD1 3.16Å; I96-V101 HydrophobicContact CB-CG2 4.45Å; I96-V101 HydrophobicContact CD1-CG2 3.58Å; I96-V101 HydrophobicContact CG1-CG2 3.87Å
97	S	38.3	Very low	34.3	Very low	61 Å²	61	109.7 Å²	109.7	43%	0.427	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-75.7	149	-180	70.9	0	0	0	0	111.8	T99 E100 V101	S97-T99 VanDerWaalsContact C-N 3.3Å; S97-T99 PolarHBondContact O-N 2.88Å; S97-E100 PolarHBondContact O-N 2.93Å; S97-E100 VanDerWaalsContact OG-CB 3.31Å; S97-E100 WeakPolarHBondContact OG-CB 3.37Å; S97-E100 PolarHBondContact OG-N 3.32Å; S97-V101 WeakPolarHBondContact O-CG2 3.49Å; S97-V101 PolarHBondContact O-N 3.36Å
98	T	36.5	Very low	34.2	Very low	116 Å²	116	105.7 Å²	105.7	71%	0.712	52%	0.515	S	S	*	.	H	α-helix	trans	-57.7	-39.2	-179.9	13.5	0	0	0	0	113.1	V101 H102	T98-V101 WeakPolarHBondContact O-CB 3.34Å; T98-V101 PolarHBondContact O-N 3.37Å; T98-H102 PolarHBondContact O-N 3.23Å
99	T	39.9	Very low	34.2	Very low	107 Å²	107	101.9 Å²	101.9	66%	0.656	50%	0.501	S	S	*	.	H	α-helix	trans	-65.6	-43.4	179.2	-35.5	0	0	0	0	111.6	S97 V101 H102 D103	S97-T99 VanDerWaalsContact C-N 3.3Å; S97-T99 PolarHBondContact O-N 2.88Å; T99-V101 VanDerWaalsContact C-N 3.32Å; T99-V101 PolarHBondContact O-N 3.47Å; T99-H102 PolarHBondContact O-N 3.39Å; T99-D103 PolarHBondContact O-N 2.99Å; T99-D103 VanDerWaalsContact O-N 3.13Å
100	E	38.3	Very low	34.1	Very low	61 Å²	61	102.3 Å²	102.3	29%	0.285	50%	0.503	S	S	.	.	H	α-helix	trans	-68	-32.6	177.7	-169.6	177.8	179.1	0	0	111.9	S97 R104	S97-E100 PolarHBondContact O-N 2.93Å; S97-E100 VanDerWaalsContact OG-CB 3.31Å; S97-E100 WeakPolarHBondContact OG-CB 3.37Å; S97-E100 PolarHBondContact OG-N 3.32Å; E100-R104 WeakPolarHBondContact O-CB 3.32Å; E100-R104 WeakPolarHBondContact O-CD 3.37Å; E100-R104 WeakPolarHBondContact O-CG 3.23Å; E100-R104 PolarHBondContact O-N 3.41Å; E100-R104 IonicContact OE1-CZ 3.87Å; E100-R104 IonicContact OE1-NE 2.7Å; E100-R104 IonicContact OE1-NH1 2.93Å; E100-R104 PolarHBondContact OE1-NH1 3.35Å; E100-R104 VanDerWaalsContact OE1-NH1 3.11Å; E100-R104 IonicContact OE1-NH2 3.87Å; E100-R104 PolarHBondContact OE1-NH2 3.03Å
101	V	35.8	Very low	34.5	Very low	30 Å²	30	101.7 Å²	101.7	18%	0.182	49%	0.493	C	S	.	.	H	α-helix	trans	-63.4	-49.4	171.2	170.9	0	0	0	0	110.5	I96 S97 T98 T99 D103 R104 L105	I96-V101 HydrophobicContact CB-CG2 4.45Å; I96-V101 HydrophobicContact CD1-CG2 3.58Å; I96-V101 HydrophobicContact CG1-CG2 3.87Å; S97-V101 WeakPolarHBondContact O-CG2 3.49Å; S97-V101 PolarHBondContact O-N 3.36Å; T98-V101 WeakPolarHBondContact O-CB 3.34Å; T98-V101 PolarHBondContact O-N 3.37Å; T99-V101 VanDerWaalsContact C-N 3.32Å; T99-V101 PolarHBondContact O-N 3.47Å; V101-D103 PolarHBondContact O-N 3.16Å; V101-R104 PolarHBondContact O-N 3.36Å; V101-L105 HydrophobicContact CG1-CD1 3.61Å; V101-L105 HydrophobicContact CG1-CG 3.98Å; V101-L105 WeakPolarHBondContact O-CB 3.35Å; V101-L105 VanDerWaalsContact O-CG 3.25Å; V101-L105 WeakPolarHBondContact O-CG 3.28Å; V101-L105 PolarHBondContact O-N 3.05Å
102	H	34.8	Very low	34.6	Very low	121 Å²	121	102.5 Å²	102.5	56%	0.56	49%	0.491	S	S	*	.	H	α-helix	trans	-60.5	-47.7	-179.2	-99.2	50.5	0	0	0	113.3	T98 T99 R104 L105 N106	T98-H102 PolarHBondContact O-N 3.23Å; T99-H102 PolarHBondContact O-N 3.39Å; H102-R104 PolarHBondContact O-N 3.36Å; H102-L105 PolarHBondContact O-N 3Å; H102-N106 WeakPolarHBondContact O-CB 3.47Å; H102-N106 PolarHBondContact O-N 3.06Å; H102-N106 PolarHBondContact O-ND2 3.21Å
103	D	40.5	Very low	35	Very low	91 Å²	91	95.8 Å²	95.8	49%	0.487	48%	0.476	S	S	.	.	H	α-helix	trans	-60.9	-30.3	178.1	-99.9	16.1	0	0	0	113.2	T99 V101 R107	T99-D103 PolarHBondContact O-N 2.99Å; T99-D103 VanDerWaalsContact O-N 3.13Å; V101-D103 PolarHBondContact O-N 3.16Å; D103-R107 WeakPolarHBondContact O-CG 3.47Å; D103-R107 PolarHBondContact O-N 3.2Å; D103-R107 PolarHBondContact O-NE 3.08Å; D103-R107 VanDerWaalsContact O-NE 3.12Å; D103-R107 IonicContact OD2-NH2 2.79Å
104	R	36	Very low	35.2	Very low	52 Å²	52	90.7 Å²	90.7	20%	0.196	45%	0.454	C	S	.	.	H	α-helix	trans	-85.4	-39.3	179.2	-73.1	-180	175	165.7	7.9	112.1	E100 V101 H102 N106 R107 A108	E100-R104 WeakPolarHBondContact O-CB 3.32Å; E100-R104 WeakPolarHBondContact O-CD 3.37Å; E100-R104 WeakPolarHBondContact O-CG 3.23Å; E100-R104 PolarHBondContact O-N 3.41Å; E100-R104 IonicContact OE1-CZ 3.87Å; E100-R104 IonicContact OE1-NE 2.7Å; E100-R104 IonicContact OE1-NH1 2.93Å; E100-R104 PolarHBondContact OE1-NH1 3.35Å; E100-R104 VanDerWaalsContact OE1-NH1 3.11Å; E100-R104 IonicContact OE1-NH2 3.87Å; E100-R104 PolarHBondContact OE1-NH2 3.03Å; V101-R104 PolarHBondContact O-N 3.36Å; H102-R104 PolarHBondContact O-N 3.36Å; R104-N106 VanDerWaalsContact C-N 3.31Å; R104-N106 PolarHBondContact O-N 2.96Å; R104-R107 PolarHBondContact O-N 3.32Å; R104-A108 VanDerWaalsContact O-CB 3.29Å; R104-A108 WeakPolarHBondContact O-CB 3.41Å; R104-A108 PolarHBondContact O-N 3.36Å
105	L	33.5	Very low	35.4	Very low	43 Å²	43	85.4 Å²	85.4	23%	0.225	44%	0.436	C	S	.	.	H	α-helix	trans	-55.3	-49.1	170.2	-74.7	172.6	0	0	0	109.8	L54 V101 H102 R107 A108 F109	L54-L105 HydrophobicContact CD2-CD2 3.49Å; L54-L105 VanDerWaalsContact CD2-CD2 3.49Å; L54-L105 HydrophobicContact CD2-CG 3.99Å; V101-L105 HydrophobicContact CG1-CD1 3.61Å; V101-L105 HydrophobicContact CG1-CG 3.98Å; V101-L105 WeakPolarHBondContact O-CB 3.35Å; V101-L105 VanDerWaalsContact O-CG 3.25Å; V101-L105 WeakPolarHBondContact O-CG 3.28Å; V101-L105 PolarHBondContact O-N 3.05Å; H102-L105 PolarHBondContact O-N 3Å; L105-R107 VanDerWaalsContact C-N 3.28Å; L105-R107 PolarHBondContact O-N 2.73Å; L105-A108 PolarHBondContact O-N 2.64Å; L105-A108 VanDerWaalsContact O-N 3.15Å; L105-F109 HydrophobicContact CB-CD2 4.17Å; L105-F109 HydrophobicContact CD2-CD2 3.62Å; L105-F109 HydrophobicContact CD2-CE2 3.18Å; L105-F109 HydrophobicContact CD2-CZ 4.17Å; L105-F109 HydrophobicContact CG-CE2 4.46Å; L105-F109 WeakPolarHBondContact O-CB 3.16Å; L105-F109 WeakPolarHBondContact O-CD2 3.02Å; L105-F109 PolarHBondContact O-N 3.04Å
106	N	34	Very low	35.7	Very low	94 Å²	94	77.6 Å²	77.6	50%	0.503	41%	0.406	S	S	.	.	H	α-helix	trans	-58.7	-39.3	178.1	-73.4	-23.4	0	0	0	112.1	H102 R104 L110	H102-N106 WeakPolarHBondContact O-CB 3.47Å; H102-N106 PolarHBondContact O-N 3.06Å; H102-N106 PolarHBondContact O-ND2 3.21Å; R104-N106 VanDerWaalsContact C-N 3.31Å; R104-N106 PolarHBondContact O-N 2.96Å; N106-L110 VanDerWaalsContact O-CB 3.31Å; N106-L110 WeakPolarHBondContact O-CB 3.28Å; N106-L110 WeakPolarHBondContact O-CD1 3.22Å; N106-L110 WeakPolarHBondContact O-CG 3.37Å; N106-L110 PolarHBondContact O-N 2.75Å
107	R	33.9	Very low	35.7	Very low	162 Å²	162	80.6 Å²	80.6	61%	0.611	42%	0.422	S	S	*	.	H	α-helix	trans	-72.6	-33.8	177.2	-76.4	-176.7	-102.9	-164.4	-11	114	D103 R104 L105	D103-R107 WeakPolarHBondContact O-CG 3.47Å; D103-R107 PolarHBondContact O-N 3.2Å; D103-R107 PolarHBondContact O-NE 3.08Å; D103-R107 VanDerWaalsContact O-NE 3.12Å; D103-R107 IonicContact OD2-NH2 2.79Å; R104-R107 PolarHBondContact O-N 3.32Å; L105-R107 VanDerWaalsContact C-N 3.28Å; L105-R107 PolarHBondContact O-N 2.73Å
108	A	30.5	Very low	35.5	Very low	14 Å²	14	80.1 Å²	80.1	12%	0.116	41%	0.414	C	S	.	.	H	α-helix	trans	-79.8	-51	-178.3	0	0	0	0	0	112.4	W67 R104 L105 K111	W67-A108 HydrophobicContact CH2-CB 4.33Å; W67-A108 HydrophobicContact CZ2-CB 3.76Å; R104-A108 VanDerWaalsContact O-CB 3.29Å; R104-A108 WeakPolarHBondContact O-CB 3.41Å; R104-A108 PolarHBondContact O-N 3.36Å; L105-A108 PolarHBondContact O-N 2.64Å; L105-A108 VanDerWaalsContact O-N 3.15Å; A108-K111 PolarHBondContact O-N 2.8Å
109	F	26.7	Very low	35.7	Very low	77 Å²	77	75.3 Å²	75.3	34%	0.338	38%	0.384	S	S	.	.	H	α-helix	trans	-74.3	-29.2	-172.4	-81	-92.9	0	0	0	113.1	L105 K111 F112 T116	L105-F109 HydrophobicContact CB-CD2 4.17Å; L105-F109 HydrophobicContact CD2-CD2 3.62Å; L105-F109 HydrophobicContact CD2-CE2 3.18Å; L105-F109 HydrophobicContact CD2-CZ 4.17Å; L105-F109 HydrophobicContact CG-CE2 4.46Å; L105-F109 WeakPolarHBondContact O-CB 3.16Å; L105-F109 WeakPolarHBondContact O-CD2 3.02Å; L105-F109 PolarHBondContact O-N 3.04Å; F109-K111 PolarHBondContact O-N 3.49Å; F109-F112 PolarHBondContact O-N 3.39Å; F109-T116 HydrophobicContact CE1-CG2 4.1Å; F109-T116 VanDerWaalsContact CE1-OG1 3.3Å; F109-T116 WeakPolarHBondContact CE1-OG1 3.4Å
110	L	29.7	Very low	35.4	Very low	147 Å²	147	75 Å²	75	77%	0.77	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.3	173.8	-76	175	0	0	0	113.2	N106	N106-L110 VanDerWaalsContact O-CB 3.31Å; N106-L110 WeakPolarHBondContact O-CB 3.28Å; N106-L110 WeakPolarHBondContact O-CD1 3.22Å; N106-L110 WeakPolarHBondContact O-CG 3.37Å; N106-L110 PolarHBondContact O-N 2.75Å
111	K	38.9	Very low	35.2	Very low	159 Å²	159	74.3 Å²	74.3	69%	0.691	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-26.9	-178.8	-68.6	-167.8	176.1	-175	0	115.1	A108 F109	A108-K111 PolarHBondContact O-N 2.8Å; F109-K111 PolarHBondContact O-N 3.49Å
112	F	36.9	Very low	35.4	Very low	77 Å²	77	74 Å²	74	34%	0.338	38%	0.381	S	S	.	.			trans	-150.4	66.3	-177.2	-64.4	-79.9	0	0	0	114.6	W67 F109 A114 A115	W67-F112 HydrophobicContact CZ3-CB 4.32Å; F109-F112 PolarHBondContact O-N 3.39Å; F112-A114 PolarHBondContact O-N 3.37Å; F112-A115 HydrophobicContact CB-CB 4.19Å; F112-A115 PolarHBondContact O-N 3.03Å; F112-A115 VanDerWaalsContact O-N 3.16Å
113	P	38.2	Very low	35.7	Very low	81 Å²	81	70.2 Å²	70.2	53%	0.526	36%	0.363	S	S	.	.	H	α-helix	trans	-51.4	-40.6	173.4	-24.5	33	0	0	0	112.9	A115 T116 D117	P113-A115 VanDerWaalsContact C-N 3.28Å; P113-A115 PolarHBondContact O-N 2.86Å; P113-T116 WeakPolarHBondContact O-CB 3.47Å; P113-T116 PolarHBondContact O-N 2.75Å; P113-D117 PolarHBondContact O-N 2.9Å
114	A	34.9	Very low	35.5	Very low	42 Å²	42	68 Å²	68	35%	0.347	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-28.3	-178.1	0	0	0	0	0	114.5	F112 T116 M118 L171	F112-A114 PolarHBondContact O-N 3.37Å; A114-T116 VanDerWaalsContact C-N 3.29Å; A114-T116 PolarHBondContact O-N 2.8Å; A114-M118 WeakPolarHBondContact O-CB 3.45Å; A114-M118 VanDerWaalsContact O-CG 3.23Å; A114-M118 WeakPolarHBondContact O-CG 3.24Å; A114-M118 PolarHBondContact O-N 2.9Å; A114-L171 HydrophobicContact CB-CD1 3.85Å
115	A	39.3	Very low	35.5	Very low	6 Å²	6	66.6 Å²	66.6	5%	0.05	36%	0.355	C	S	.	.	H	α-helix	trans	-66.6	-35.9	176.8	0	0	0	0	0	111.4	F112 P113 I119 V168	F112-A115 HydrophobicContact CB-CB 4.19Å; F112-A115 PolarHBondContact O-N 3.03Å; F112-A115 VanDerWaalsContact O-N 3.16Å; P113-A115 VanDerWaalsContact C-N 3.28Å; P113-A115 PolarHBondContact O-N 2.86Å; A115-I119 WeakPolarHBondContact O-CD1 3.33Å; A115-I119 VanDerWaalsContact O-CG1 3.24Å; A115-I119 WeakPolarHBondContact O-CG1 3.31Å; A115-I119 PolarHBondContact O-N 3.33Å; A115-V168 HydrophobicContact CB-CG2 4.23Å
116	T	37.6	Very low	35.9	Very low	46 Å²	46	67.5 Å²	67.5	28%	0.282	36%	0.356	S	S	.	.	H	α-helix	trans	-68.6	-50.8	-179.9	-50.1	0	0	0	0	110.7	F109 P113 A114 M118 I119 I120	F109-T116 HydrophobicContact CE1-CG2 4.1Å; F109-T116 VanDerWaalsContact CE1-OG1 3.3Å; F109-T116 WeakPolarHBondContact CE1-OG1 3.4Å; P113-T116 WeakPolarHBondContact O-CB 3.47Å; P113-T116 PolarHBondContact O-N 2.75Å; A114-T116 VanDerWaalsContact C-N 3.29Å; A114-T116 PolarHBondContact O-N 2.8Å; T116-M118 PolarHBondContact O-N 3.15Å; T116-I119 PolarHBondContact O-N 3.33Å; T116-I120 HydrophobicContact CG2-CD1 3.97Å; T116-I120 WeakPolarHBondContact O-CD1 3.49Å; T116-I120 VanDerWaalsContact O-CG1 3.23Å; T116-I120 WeakPolarHBondContact O-CG1 3.23Å; T116-I120 PolarHBondContact O-N 2.99Å
117	D	34.8	Very low	35.9	Very low	105 Å²	105	70.7 Å²	70.7	56%	0.561	36%	0.361	S	S	*	.	H	α-helix	trans	-58.8	-34.5	179.9	-63.7	-25.7	0	0	0	111.9	P113 I120 A121	P113-D117 PolarHBondContact O-N 2.9Å; D117-I120 WeakPolarHBondContact O-CB 3.49Å; D117-I120 PolarHBondContact O-N 2.84Å; D117-A121 WeakPolarHBondContact O-CB 3.25Å; D117-A121 PolarHBondContact O-N 2.84Å
118	M	34.8	Very low	36.1	Very low	51 Å²	51	64.3 Å²	64.3	25%	0.251	34%	0.337	S	S	.	.	H	α-helix	trans	-81.5	-36.9	-177.8	-67.6	-160.5	74.2	0	0	113.9	A114 T116 I120 A121 S122 K167 L171	A114-M118 WeakPolarHBondContact O-CB 3.45Å; A114-M118 VanDerWaalsContact O-CG 3.23Å; A114-M118 WeakPolarHBondContact O-CG 3.24Å; A114-M118 PolarHBondContact O-N 2.9Å; T116-M118 PolarHBondContact O-N 3.15Å; M118-I120 PolarHBondContact O-N 3.3Å; M118-A121 PolarHBondContact O-N 3.3Å; M118-S122 PolarHBondContact O-N 3.45Å; M118-S122 PolarHBondContact O-OG 3.07Å; M118-K167 HydrophobicContact CE-CB 4.11Å; M118-K167 HydrophobicContact CE-CD 4.1Å; M118-K167 HydrophobicContact CE-CG 3.41Å; M118-K167 VanDerWaalsContact CE-CG 3.41Å; M118-K167 HydrophobicContact SD-CB 4.38Å; M118-K167 HydrophobicContact SD-CD 4.12Å; M118-K167 HydrophobicContact SD-CG 3.34Å; M118-K167 WeakPolarHBondContact SD-CG 3.21Å; M118-L171 HydrophobicContact SD-CD1 3.83Å
119	I	40	Very low	36.6	Very low	16 Å²	16	65.9 Å²	65.9	8%	0.082	34%	0.341	C	S	.	.	H	α-helix	trans	-58.9	-40.5	167.8	-69.4	165.6	0	0	0	109.5	F55 T59 A63 A115 T116 K123 V168	F55-I119 HydrophobicContact CE1-CD1 3.96Å; T59-I119 HydrophobicContact CG2-CG2 4.03Å; A63-I119 HydrophobicContact CB-CD1 3.91Å; A63-I119 HydrophobicContact CB-CG1 4.02Å; A115-I119 WeakPolarHBondContact O-CD1 3.33Å; A115-I119 VanDerWaalsContact O-CG1 3.24Å; A115-I119 WeakPolarHBondContact O-CG1 3.31Å; A115-I119 PolarHBondContact O-N 3.33Å; T116-I119 PolarHBondContact O-N 3.33Å; I119-K123 HydrophobicContact CG2-CD 4.27Å; I119-K123 VanDerWaalsContact O-CB 3.3Å; I119-K123 WeakPolarHBondContact O-CB 3.23Å; I119-K123 VanDerWaalsContact O-CG 3.28Å; I119-K123 WeakPolarHBondContact O-CG 2.99Å; I119-K123 PolarHBondContact O-N 3.33Å; I119-V168 HydrophobicContact CD1-CG2 4.28Å; I119-V168 HydrophobicContact CG1-CG2 4.17Å
120	I	35.3	Very low	37.3	Very low	99 Å²	99	64.5 Å²	64.5	51%	0.508	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-45.5	175.6	-67.4	166.4	0	0	0	110.9	T116 D117 M118 K123 A124	T116-I120 HydrophobicContact CG2-CD1 3.97Å; T116-I120 WeakPolarHBondContact O-CD1 3.49Å; T116-I120 VanDerWaalsContact O-CG1 3.23Å; T116-I120 WeakPolarHBondContact O-CG1 3.23Å; T116-I120 PolarHBondContact O-N 2.99Å; D117-I120 WeakPolarHBondContact O-CB 3.49Å; D117-I120 PolarHBondContact O-N 2.84Å; M118-I120 PolarHBondContact O-N 3.3Å; I120-K123 CarbonylContact O-C 3.4Å; I120-K123 WeakPolarHBondContact O-CB 3.43Å; I120-K123 PolarHBondContact O-N 2.84Å; I120-A124 PolarHBondContact O-N 3.01Å
121	A	33.1	Very low	37.9	Very low	47 Å²	47	58.3 Å²	58.3	39%	0.388	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-43.7	-179.7	0	0	0	0	0	113.1	D117 M118 K123 A124 S125	D117-A121 WeakPolarHBondContact O-CB 3.25Å; D117-A121 PolarHBondContact O-N 2.84Å; M118-A121 PolarHBondContact O-N 3.3Å; A121-K123 VanDerWaalsContact C-N 3.3Å; A121-K123 PolarHBondContact O-N 3.47Å; A121-A124 WeakPolarHBondContact O-CB 3.08Å; A121-A124 PolarHBondContact O-N 3.41Å; A121-S125 PolarHBondContact O-N 3.47Å
122	S	40	Very low	38.1	Very low	24 Å²	24	51.8 Å²	51.8	17%	0.168	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-39.9	174.1	-61.7	0	0	0	0	111.2	M118 S125 W126 S164	M118-S122 PolarHBondContact O-N 3.45Å; M118-S122 PolarHBondContact O-OG 3.07Å; S122-S125 VanDerWaalsContact O-CB 3.22Å; S122-S125 WeakPolarHBondContact O-CB 3.46Å; S122-S125 PolarHBondContact O-N 3.13Å; S122-W126 PolarHBondContact O-N 3.24Å; S122-S164 WeakPolarHBondContact OG-CB 3.4Å
123	K	41	Very low	38.4	Very low	41 Å²	41	48.6 Å²	48.6	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-40.2	171.6	-81.3	-178.9	168.7	-170.1	0	112.7	Y58 T59 I119 I120 A121 S125 W126 W127	Y58-K123 VanDerWaalsContact C-NZ 3.35Å; Y58-K123 WeakPolarHBondContact O-CE 3.38Å; Y58-K123 PolarHBondContact O-NZ 3.17Å; T59-K123 VanDerWaalsContact CA-NZ 3.29Å; I119-K123 HydrophobicContact CG2-CD 4.27Å; I119-K123 VanDerWaalsContact O-CB 3.3Å; I119-K123 WeakPolarHBondContact O-CB 3.23Å; I119-K123 VanDerWaalsContact O-CG 3.28Å; I119-K123 WeakPolarHBondContact O-CG 2.99Å; I119-K123 PolarHBondContact O-N 3.33Å; I120-K123 CarbonylContact O-C 3.4Å; I120-K123 WeakPolarHBondContact O-CB 3.43Å; I120-K123 PolarHBondContact O-N 2.84Å; A121-K123 VanDerWaalsContact C-N 3.3Å; A121-K123 PolarHBondContact O-N 3.47Å; K123-S125 VanDerWaalsContact C-N 3.29Å; K123-S125 PolarHBondContact O-N 3.21Å; K123-W126 CarbonylContact O-C 3.51Å; K123-W126 WeakPolarHBondContact O-CA 3.18Å; K123-W126 VanDerWaalsContact O-CB 3.32Å; K123-W126 WeakPolarHBondContact O-CB 3.21Å; K123-W126 PolarHBondContact O-N 2.9Å; K123-W127 WeakPolarHBondContact O-CB 3.43Å; K123-W127 PolarHBondContact O-N 3.15Å
124	A	35.5	Very low	38.6	Very low	44 Å²	44	45.2 Å²	45.2	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-40.7	175.8	0	0	0	0	0	111	I120 A121 W126 W127 Y128	I120-A124 PolarHBondContact O-N 3.01Å; A121-A124 WeakPolarHBondContact O-CB 3.08Å; A121-A124 PolarHBondContact O-N 3.41Å; A124-W126 VanDerWaalsContact C-N 3.28Å; A124-W126 PolarHBondContact O-N 3.06Å; A124-W127 WeakPolarHBondContact O-CB 3.28Å; A124-W127 PolarHBondContact O-N 2.97Å; A124-Y128 WeakPolarHBondContact O-CB 3.34Å; A124-Y128 PolarHBondContact O-N 3.43Å
125	S	37.5	Very low	39.2	Very low	24 Å²	24	49 Å²	49	17%	0.168	26%	0.263	C	S	.	.	H	α-helix	trans	-56.7	-43.6	170.3	-147.1	0	0	0	0	111.4	A121 S122 K123 Y128 F129 F201	A121-S125 PolarHBondContact O-N 3.47Å; S122-S125 VanDerWaalsContact O-CB 3.22Å; S122-S125 WeakPolarHBondContact O-CB 3.46Å; S122-S125 PolarHBondContact O-N 3.13Å; K123-S125 VanDerWaalsContact C-N 3.29Å; K123-S125 PolarHBondContact O-N 3.21Å; S125-Y128 VanDerWaalsContact O-CB 3.26Å; S125-Y128 WeakPolarHBondContact O-CB 3.21Å; S125-Y128 PolarHBondContact O-N 2.86Å; S125-F129 WeakPolarHBondContact O-CD2 3.41Å; S125-F129 PolarHBondContact O-N 2.89Å; S125-F129 VanDerWaalsContact O-N 3.13Å; S125-F201 VanDerWaalsContact OG-CE1 3.25Å; S125-F201 WeakPolarHBondContact OG-CE1 3.28Å; S125-F201 WeakPolarHBondContact OG-CZ 3.41Å
126	W	40.6	Very low	39.5	Very low	62 Å²	62	53.5 Å²	53.5	24%	0.235	29%	0.286	C	S	.	.	H	α-helix	trans	-71.2	-39.7	179.6	-77.1	20.6	0	0	0	114.4	S122 K123 A124 Y128 F129 G130 G157 G160 H161	S122-W126 PolarHBondContact O-N 3.24Å; K123-W126 CarbonylContact O-C 3.51Å; K123-W126 WeakPolarHBondContact O-CA 3.18Å; K123-W126 VanDerWaalsContact O-CB 3.32Å; K123-W126 WeakPolarHBondContact O-CB 3.21Å; K123-W126 PolarHBondContact O-N 2.9Å; A124-W126 VanDerWaalsContact C-N 3.28Å; A124-W126 PolarHBondContact O-N 3.06Å; W126-Y128 PolarHBondContact O-N 3.27Å; W126-F129 PolarHBondContact O-N 3.31Å; W126-G130 PolarHBondContact O-N 3.22Å; W126-G157 VanDerWaalsContact CH2-O 3.3Å; W126-G157 WeakPolarHBondContact CH2-O 2.95Å; W126-G157 WeakPolarHBondContact CZ2-O 3.14Å; W126-G160 VanDerWaalsContact NE1-CA 3.31Å; W126-H161 HydrophobicContact CH2-CB 4.32Å; W126-H161 AromaticContact CH2-CD2 2.96Å; W126-H161 WeakPolarHBondContact CH2-CD2 3.3Å; W126-H161 AromaticContact CH2-CE1 3.06Å; W126-H161 WeakPolarHBondContact CH2-CE1 3.34Å; W126-H161 AromaticContact CH2-CG 3.23Å; W126-H161 AromaticContact CH2-ND1 3.26Å; W126-H161 VanDerWaalsContact CH2-ND1 3.26Å; W126-H161 WeakPolarHBondContact CH2-ND1 3.29Å; W126-H161 AromaticContact CH2-NE2 2.88Å; W126-H161 WeakPolarHBondContact CH2-NE2 3.32Å; W126-H161 HydrophobicContact CZ2-CB 4.02Å; W126-H161 AromaticContact CZ2-CD2 3.36Å; W126-H161 WeakPolarHBondContact CZ2-CD2 3.42Å; W126-H161 AromaticContact CZ2-CG 3.38Å; W126-H161 VanDerWaalsContact CZ2-N 3.27Å; W126-H161 AromaticContact CZ2-ND1 3.78Å; W126-H161 AromaticContact CZ2-NE2 3.8Å; W126-H161 AromaticContact CZ3-CD2 3.45Å; W126-H161 VanDerWaalsContact CZ3-CD2 3.45Å; W126-H161 WeakPolarHBondContact CZ3-CD2 3.43Å; W126-H161 AromaticContact CZ3-CE1 3.63Å; W126-H161 AromaticContact CZ3-NE2 3.08Å; W126-H161 WeakPolarHBondContact CZ3-NE2 3.45Å
127	W	34.4	Very low	39.8	Very low	160 Å²	160	51.3 Å²	51.3	61%	0.606	27%	0.272	S	S	*	.	H	α-helix	trans	-56	-36.1	171.3	-70.3	13.1	0	0	0	109.7	K123 A124	K123-W127 WeakPolarHBondContact O-CB 3.43Å; K123-W127 PolarHBondContact O-N 3.15Å; A124-W127 WeakPolarHBondContact O-CB 3.28Å; A124-W127 PolarHBondContact O-N 2.97Å
128	Y	38.3	Very low	39.9	Very low	28 Å²	28	48.7 Å²	48.7	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-70.7	-44.9	177.9	-163.9	-105.5	0	0	0	113.1	A124 S125 W126 N134 S137 Y200 P205	A124-Y128 WeakPolarHBondContact O-CB 3.34Å; A124-Y128 PolarHBondContact O-N 3.43Å; S125-Y128 VanDerWaalsContact O-CB 3.26Å; S125-Y128 WeakPolarHBondContact O-CB 3.21Å; S125-Y128 PolarHBondContact O-N 2.86Å; W126-Y128 PolarHBondContact O-N 3.27Å; Y128-N134 PolarHBondContact O-ND2 3.12Å; Y128-S137 WeakPolarHBondContact CE1-OG 3.42Å; Y128-Y200 WeakPolarHBondContact CE2-O 3.34Å; Y128-P205 HydrophobicContact CD2-CG 4.43Å
129	F	41	Very low	39.9	Very low	48 Å²	48	48.6 Å²	48.6	21%	0.211	26%	0.261	C	S	.	.	H	α-helix	trans	-90.1	-33.5	-174	-63.9	-63.1	0	0	0	115.7	S125 W126 L139 V156	S125-F129 WeakPolarHBondContact O-CD2 3.41Å; S125-F129 PolarHBondContact O-N 2.89Å; S125-F129 VanDerWaalsContact O-N 3.13Å; W126-F129 PolarHBondContact O-N 3.31Å; F129-L139 HydrophobicContact CE1-CB 3.89Å; F129-L139 HydrophobicContact CE1-CD1 3.39Å; F129-L139 HydrophobicContact CE1-CG 4.25Å; F129-L139 HydrophobicContact CZ-CD1 3.29Å; F129-V156 HydrophobicContact CB-CG1 4.44Å; F129-V156 HydrophobicContact CD2-CG1 3.84Å; F129-V156 HydrophobicContact CE2-CG1 4.45Å; F129-V156 HydrophobicContact CG-CG1 4.18Å
130	G	41.9	Very low	39.9	Very low	47 Å²	47	49.9 Å²	49.9	49%	0.485	27%	0.268	S	S	.	.	H	α-helix	trans	-87.4	-9	-172.6	0	0	0	0	0	114.6	W126 A132	W126-G130 PolarHBondContact O-N 3.22Å; G130-A132 PolarHBondContact O-N 3.42Å
131	C	41.9	Very low	40.2	Very low	17 Å²	17	49 Å²	49	12%	0.115	27%	0.27	C	S	.	.			trans	-71.7	116.3	-179.7	-159.9	0	0	0	0	109.1	L133 N134	C131-L133 PolarHBondContact O-N 3.17Å; C131-N134 HydrophobicContact CB-CB 4.05Å; C131-N134 PolarHBondContact O-N 3.21Å
132	A	43	Very low	40.4	Very low	23 Å²	23	50.7 Å²	50.7	19%	0.19	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-53.3	-28.4	178.2	0	0	0	0	0	112.6	G130 Y249	G130-A132 PolarHBondContact O-N 3.42Å; A132-Y249 HydrophobicContact CB-CG 4.46Å
133	L	42.7	Very low	40.2	Very low	9 Å²	9	52.2 Å²	52.2	5%	0.047	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-74.1	-22.6	175.6	-75.8	-153.5	0	0	0	114.1	C131 S208 I210 I211 F242 Y249 L266	C131-L133 PolarHBondContact O-N 3.17Å; L133-S208 VanDerWaalsContact CA-OG 3.31Å; L133-S208 WeakPolarHBondContact CA-OG 3.23Å; L133-S208 WeakPolarHBondContact CB-OG 3.15Å; L133-S208 WeakPolarHBondContact CD2-OG 3.46Å; L133-S208 WeakPolarHBondContact O-CA 3.04Å; L133-S208 WeakPolarHBondContact O-CB 3.2Å; L133-S208 PolarHBondContact O-OG 2.88Å; L133-I210 HydrophobicContact CD2-CB 3.91Å; L133-I210 HydrophobicContact CD2-CD1 3.68Å; L133-I210 HydrophobicContact CD2-CG1 4.06Å; L133-I210 HydrophobicContact CD2-CG2 4.35Å; L133-I211 HydrophobicContact CD1-CD1 4.1Å; L133-I211 HydrophobicContact CD1-CG1 3.88Å; L133-F242 HydrophobicContact CB-CZ 4.35Å; L133-F242 HydrophobicContact CD1-CD1 4.08Å; L133-F242 HydrophobicContact CD1-CD2 4.45Å; L133-F242 HydrophobicContact CD1-CE1 3.38Å; L133-F242 HydrophobicContact CD1-CE2 3.78Å; L133-F242 HydrophobicContact CD1-CZ 3.2Å; L133-F242 HydrophobicContact CG-CE2 4.07Å; L133-F242 HydrophobicContact CG-CZ 3.91Å; L133-Y249 HydrophobicContact CD1-CE2 4.26Å; L133-Y249 HydrophobicContact CD2-CD2 4.47Å; L133-Y249 HydrophobicContact CD2-CE2 4.24Å; L133-Y249 HydrophobicContact CG-CD2 3.96Å; L133-Y249 HydrophobicContact CG-CE2 3.99Å; L133-L266 HydrophobicContact CD2-CD2 3.73Å
134	N	43.8	Very low	40.2	Very low	11 Å²	11	58.6 Å²	58.6	6%	0.059	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-109.6	30.6	-173.5	-160	28	0	0	0	113.5	Y128 C131 D136 S137	Y128-N134 PolarHBondContact O-ND2 3.12Å; C131-N134 HydrophobicContact CB-CB 4.05Å; C131-N134 PolarHBondContact O-N 3.21Å; N134-D136 PolarHBondContact O-N 2.78Å; N134-D136 VanDerWaalsContact O-N 3.08Å; N134-S137 PolarHBondContact O-N 3.37Å; N134-S137 VanDerWaalsContact O-N 3.15Å
135	R	46.4	Very low	40.6	Very low	122 Å²	122	61 Å²	61	46%	0.46	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-13.1	178.3	-79.9	-173.3	171.8	-166.2	-1.4	114.5	S137 I140 E251	R135-S137 VanDerWaalsContact C-N 3.25Å; R135-S137 PolarHBondContact O-N 3.04Å; R135-I140 WeakPolarHBondContact O-CD1 3.28Å; R135-E251 IonicContact NH2-OE1 3.75Å
136	D	46.2	Very low	40.9	Very low	99 Å²	99	65.6 Å²	65.6	53%	0.529	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	17.4	176.5	-59.1	-39.1	0	0	0	113.2	N134 P138 H209	N134-D136 PolarHBondContact O-N 2.78Å; N134-D136 VanDerWaalsContact O-N 3.08Å; D136-P138 VanDerWaalsContact O-N 3.16Å; D136-H209 IonicContact OD1-ND1 3.48Å; D136-H209 IonicContact OD2-CE1 2.62Å; D136-H209 IonicContact OD2-CG 2.91Å; D136-H209 IonicContact OD2-ND1 2.71Å; D136-H209 PolarHBondContact OD2-ND1 3.12Å
137	S	44.2	Very low	40.9	Very low	1 Å²	1	65.8 Å²	65.8	1%	0.007	36%	0.362	C	S	.	.			trans	-44	127.3	166.7	178.5	0	0	0	0	109.5	Y128 N134 R135 L139 I140	Y128-S137 WeakPolarHBondContact CE1-OG 3.42Å; N134-S137 PolarHBondContact O-N 3.37Å; N134-S137 VanDerWaalsContact O-N 3.15Å; R135-S137 VanDerWaalsContact C-N 3.25Å; R135-S137 PolarHBondContact O-N 3.04Å; S137-L139 PolarHBondContact O-N 3.5Å; S137-I140 PolarHBondContact O-N 2.74Å
138	P	37.3	Very low	41	Very low	50 Å²	50	61.6 Å²	61.6	33%	0.325	35%	0.351	S	S	.	.	H	α-helix	trans	-51.7	-21.8	-178.7	-28.9	34.6	0	0	0	113.9	D136 S141 T142 Y200	D136-P138 VanDerWaalsContact O-N 3.16Å; P138-S141 PolarHBondContact O-OG 3Å; P138-T142 PolarHBondContact O-N 3.27Å; P138-T142 PolarHBondContact O-OG1 2.84Å; P138-Y200 HydrophobicContact CB-CD1 4.27Å; P138-Y200 HydrophobicContact CB-CE1 3.71Å; P138-Y200 HydrophobicContact CG-CD1 4.05Å; P138-Y200 HydrophobicContact CG-CE1 3.8Å
139	L	34.5	Very low	41.3	Very low	49 Å²	49	64.2 Å²	64.2	26%	0.257	37%	0.371	S	S	.	.	H	α-helix	trans	-74.1	-32.9	176.9	-69.1	165.5	0	0	0	112.9	F129 S137 L143 L197	F129-L139 HydrophobicContact CE1-CB 3.89Å; F129-L139 HydrophobicContact CE1-CD1 3.39Å; F129-L139 HydrophobicContact CE1-CG 4.25Å; F129-L139 HydrophobicContact CZ-CD1 3.29Å; S137-L139 PolarHBondContact O-N 3.5Å; L139-L143 WeakPolarHBondContact O-CD1 3.42Å; L139-L143 WeakPolarHBondContact O-CG 3.3Å; L139-L143 PolarHBondContact O-N 3.3Å; L139-L197 HydrophobicContact CD2-CD2 4.32Å
140	I	39.1	Very low	41.4	Very low	43 Å²	43	68.5 Å²	68.5	22%	0.221	40%	0.396	C	S	.	.	H	α-helix	trans	-71.2	-41.3	177.7	-64.7	170.3	0	0	0	110.6	R135 S137 L143 R144	R135-I140 WeakPolarHBondContact O-CD1 3.28Å; S137-I140 PolarHBondContact O-N 2.74Å; I140-L143 PolarHBondContact O-N 3.27Å; I140-R144 PolarHBondContact O-N 3.47Å; I140-R144 VanDerWaalsContact O-N 3.1Å
141	S	41.2	Very low	41.3	Very low	79 Å²	79	70.3 Å²	70.3	55%	0.552	40%	0.395	S	S	*	.	H	α-helix	trans	-66.9	-40.5	-177.1	76.5	0	0	0	0	112.5	P138 S145	P138-S141 PolarHBondContact O-OG 3Å; S141-S145 PolarHBondContact O-N 3.48Å
142	T	37.2	Very low	41.2	Very low	84 Å²	84	70.9 Å²	70.9	52%	0.515	40%	0.397	S	S	.	.	H	α-helix	trans	-71.7	-31.6	-179.5	-45.8	0	0	0	0	112	P138 S145	P138-T142 PolarHBondContact O-N 3.27Å; P138-T142 PolarHBondContact O-OG1 2.84Å; T142-S145 PolarHBondContact O-OG 3.37Å
143	L	35.8	Very low	41.2	Very low	56 Å²	56	73.9 Å²	73.9	29%	0.293	41%	0.414	S	S	.	.	H	α-helix	trans	-79.2	-32.7	178.1	-66.5	171.3	0	0	0	112.5	L139 I140 S145 L146 I148 I152	L139-L143 WeakPolarHBondContact O-CD1 3.42Å; L139-L143 WeakPolarHBondContact O-CG 3.3Å; L139-L143 PolarHBondContact O-N 3.3Å; I140-L143 PolarHBondContact O-N 3.27Å; L143-S145 VanDerWaalsContact C-N 3.28Å; L143-S145 PolarHBondContact O-N 2.94Å; L143-L146 HydrophobicContact CD2-CD1 4.3Å; L143-L146 WeakPolarHBondContact O-CB 3.42Å; L143-L146 PolarHBondContact O-N 3.29Å; L143-L146 VanDerWaalsContact O-N 3.1Å; L143-I148 HydrophobicContact CD2-CD1 4.1Å; L143-I152 HydrophobicContact CB-CD1 3.79Å; L143-I152 HydrophobicContact CD1-CD1 4.29Å; L143-I152 HydrophobicContact CD1-CG2 4.11Å
144	R	41	Very low	41.1	Very low	174 Å²	174	80.1 Å²	80.1	66%	0.657	44%	0.443	S	S	*	.	H	α-helix	trans	-64.4	-34.3	176.2	-161.5	-174.3	-84.4	-175.9	-3.2	111.7	I140 L146 G147	I140-R144 PolarHBondContact O-N 3.47Å; I140-R144 VanDerWaalsContact O-N 3.1Å; R144-L146 PolarHBondContact O-N 2.92Å; R144-G147 PolarHBondContact O-N 3.19Å
145	S	45.6	Very low	40.8	Very low	96 Å²	96	83.7 Å²	83.7	67%	0.671	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.7	175.2	67.8	0	0	0	0	113.3	S141 T142 L143 G147	S141-S145 PolarHBondContact O-N 3.48Å; T142-S145 PolarHBondContact O-OG 3.37Å; L143-S145 VanDerWaalsContact C-N 3.28Å; L143-S145 PolarHBondContact O-N 2.94Å; S145-G147 VanDerWaalsContact C-N 3.28Å; S145-G147 PolarHBondContact O-N 3.46Å
146	L	43.1	Very low	40.6	Very low	120 Å²	120	80 Å²	80	63%	0.628	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	2.4	175.1	-63.8	171.7	0	0	0	113.4	L143 R144 I148	L143-L146 HydrophobicContact CD2-CD1 4.3Å; L143-L146 WeakPolarHBondContact O-CB 3.42Å; L143-L146 PolarHBondContact O-N 3.29Å; L143-L146 VanDerWaalsContact O-N 3.1Å; R144-L146 PolarHBondContact O-N 2.92Å; L146-I148 HydrophobicContact CB-CD1 4.09Å; L146-I148 HydrophobicContact CB-CG1 4.1Å; L146-I148 HydrophobicContact CD1-CD1 4.43Å; L146-I148 PolarHBondContact O-N 3.41Å
147	G	40.2	Very low	40.4	Very low	65 Å²	65	76.1 Å²	76.1	67%	0.67	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	16.1	178.2	0	0	0	0	0	114.3	R144 S145	R144-G147 PolarHBondContact O-N 3.19Å; S145-G147 VanDerWaalsContact C-N 3.28Å; S145-G147 PolarHBondContact O-N 3.46Å
148	I	37.7	Very low	40.1	Very low	73 Å²	73	79.9 Å²	79.9	37%	0.374	46%	0.458	S	S	.	.			trans	-77.6	126.3	179.4	-57.4	173.6	0	0	0	108.3	L143 L146 I152	L143-I148 HydrophobicContact CD2-CD1 4.1Å; L146-I148 HydrophobicContact CB-CD1 4.09Å; L146-I148 HydrophobicContact CB-CG1 4.1Å; L146-I148 HydrophobicContact CD1-CD1 4.43Å; L146-I148 PolarHBondContact O-N 3.41Å; I148-I152 HydrophobicContact CB-CD1 4.05Å; I148-I152 HydrophobicContact CG2-CD1 3.79Å; I148-I152 HydrophobicContact CG2-CG1 3.78Å
149	P	42.6	Very low	40.2	Very low	82 Å²	82	81.7 Å²	81.7	53%	0.532	47%	0.465	S	S	.	.			trans	-64.9	165.2	-170.4	22.6	-31.6	0	0	0	114	D151 I152	P149-D151 PolarHBondContact O-N 3.17Å; P149-I152 WeakPolarHBondContact O-CG1 3.43Å; P149-I152 PolarHBondContact O-N 3.19Å
150	N	44.1	Very low	40.6	Very low	138 Å²	138	80 Å²	80	74%	0.738	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-1.3	-175	-79.4	-27.7	0	0	0	115.8	I152 P153	N150-I152 PolarHBondContact O-N 2.94Å; N150-P153 WeakPolarHBondContact O-CD 3.4Å
151	D	39.9	Very low	40.9	Very low	86 Å²	86	79.4 Å²	79.4	46%	0.46	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-2	-179.4	-47	-27.5	0	0	0	111.9	P149 P153 E154 I155	P149-D151 PolarHBondContact O-N 3.17Å; D151-P153 VanDerWaalsContact C-CD 3.5Å; D151-E154 CarbonylContact O-C 3.59Å; D151-E154 WeakPolarHBondContact O-CA 3.49Å; D151-E154 WeakPolarHBondContact O-CB 3.33Å; D151-E154 PolarHBondContact O-N 3.22Å; D151-I155 HydrophobicContact CB-CD1 4.29Å; D151-I155 WeakPolarHBondContact O-CG1 3.48Å; D151-I155 PolarHBondContact O-N 2.78Å
152	I	40.5	Very low	41	Very low	29 Å²	29	79.8 Å²	79.8	15%	0.149	44%	0.444	C	S	.	.	H	α-helix	trans	-53.3	-44.7	-179.8	-67	163.2	0	0	0	113.3	L143 I148 P149 N150 E154 I155 V156	L143-I152 HydrophobicContact CB-CD1 3.79Å; L143-I152 HydrophobicContact CD1-CD1 4.29Å; L143-I152 HydrophobicContact CD1-CG2 4.11Å; I148-I152 HydrophobicContact CB-CD1 4.05Å; I148-I152 HydrophobicContact CG2-CD1 3.79Å; I148-I152 HydrophobicContact CG2-CG1 3.78Å; P149-I152 WeakPolarHBondContact O-CG1 3.43Å; P149-I152 PolarHBondContact O-N 3.19Å; N150-I152 PolarHBondContact O-N 2.94Å; I152-E154 VanDerWaalsContact C-N 3.28Å; I152-E154 PolarHBondContact O-N 2.62Å; I152-I155 PolarHBondContact O-N 3Å; I152-V156 HydrophobicContact CG2-CG2 3.92Å; I152-V156 WeakPolarHBondContact O-CB 3.34Å; I152-V156 VanDerWaalsContact O-CG2 3.22Å; I152-V156 WeakPolarHBondContact O-CG2 3.3Å; I152-V156 PolarHBondContact O-N 3.05Å
153	P	41.9	Very low	41.3	Very low	85 Å²	85	77.3 Å²	77.3	55%	0.552	43%	0.432	S	S	*	.	H	α-helix	trans	-60.6	-38.5	176.6	-22.3	35	0	0	0	112.3	N150 D151 G157	N150-P153 WeakPolarHBondContact O-CD 3.4Å; D151-P153 VanDerWaalsContact C-CD 3.5Å; P153-G157 WeakPolarHBondContact O-CA 3.08Å; P153-G157 PolarHBondContact O-N 3.16Å
154	E	40.3	Very low	41.9	Very low	141 Å²	141	75 Å²	75	66%	0.659	42%	0.42	S	S	*	.	H	α-helix	trans	-68.2	-44.2	175	-73.1	179.5	161	0	0	111	D151 I152 G157 V158	D151-E154 CarbonylContact O-C 3.59Å; D151-E154 WeakPolarHBondContact O-CA 3.49Å; D151-E154 WeakPolarHBondContact O-CB 3.33Å; D151-E154 PolarHBondContact O-N 3.22Å; I152-E154 VanDerWaalsContact C-N 3.28Å; I152-E154 PolarHBondContact O-N 2.62Å; E154-G157 CarbonylContact O-C 3.6Å; E154-G157 WeakPolarHBondContact O-CA 3.06Å; E154-G157 PolarHBondContact O-N 2.71Å; E154-V158 WeakPolarHBondContact O-CG2 3.45Å; E154-V158 PolarHBondContact O-N 3.48Å
155	I	38.2	Very low	42.2	Very low	86 Å²	86	67.1 Å²	67.1	44%	0.441	39%	0.392	S	S	.	.	H	α-helix	trans	-62.9	-45.6	177.8	-67	168.1	0	0	0	110.8	D151 I152 G157 V158 I159	D151-I155 HydrophobicContact CB-CD1 4.29Å; D151-I155 WeakPolarHBondContact O-CG1 3.48Å; D151-I155 PolarHBondContact O-N 2.78Å; I152-I155 PolarHBondContact O-N 3Å; I155-G157 VanDerWaalsContact C-N 3.29Å; I155-G157 PolarHBondContact O-N 3.05Å; I155-V158 PolarHBondContact O-N 3.49Å; I155-V158 VanDerWaalsContact O-N 3.14Å; I155-I159 HydrophobicContact CG2-CD1 3.67Å; I155-I159 HydrophobicContact CG2-CG1 4.35Å; I155-I159 WeakPolarHBondContact O-CB 3.26Å; I155-I159 VanDerWaalsContact O-CG1 3.23Å; I155-I159 WeakPolarHBondContact O-CG1 3.4Å; I155-I159 PolarHBondContact O-N 2.94Å
156	V	41.3	Very low	42.2	Very low	43 Å²	43	68.6 Å²	68.6	26%	0.261	38%	0.383	S	S	.	.	H	α-helix	trans	-65.9	-36	176.1	174.6	0	0	0	0	110.5	F129 I152 V158 I159 G160	F129-V156 HydrophobicContact CB-CG1 4.44Å; F129-V156 HydrophobicContact CD2-CG1 3.84Å; F129-V156 HydrophobicContact CE2-CG1 4.45Å; F129-V156 HydrophobicContact CG-CG1 4.18Å; I152-V156 HydrophobicContact CG2-CG2 3.92Å; I152-V156 WeakPolarHBondContact O-CB 3.34Å; I152-V156 VanDerWaalsContact O-CG2 3.22Å; I152-V156 WeakPolarHBondContact O-CG2 3.3Å; I152-V156 PolarHBondContact O-N 3.05Å; V156-V158 VanDerWaalsContact C-N 3.34Å; V156-I159 PolarHBondContact O-N 3.04Å; V156-G160 PolarHBondContact O-N 2.94Å
157	G	42.2	Very low	42.4	Very low	18 Å²	18	65.7 Å²	65.7	19%	0.186	37%	0.365	C	S	.	.	H	α-helix	trans	-66.6	-28.9	171	0	0	0	0	0	113.6	W126 P153 E154 I155 H161	W126-G157 VanDerWaalsContact CH2-O 3.3Å; W126-G157 WeakPolarHBondContact CH2-O 2.95Å; W126-G157 WeakPolarHBondContact CZ2-O 3.14Å; P153-G157 WeakPolarHBondContact O-CA 3.08Å; P153-G157 PolarHBondContact O-N 3.16Å; E154-G157 CarbonylContact O-C 3.6Å; E154-G157 WeakPolarHBondContact O-CA 3.06Å; E154-G157 PolarHBondContact O-N 2.71Å; I155-G157 VanDerWaalsContact C-N 3.29Å; I155-G157 PolarHBondContact O-N 3.05Å; G157-H161 WeakPolarHBondContact O-CB 2.96Å; G157-H161 PolarHBondContact O-ND1 3.38Å
158	V	39.3	Very low	42.7	Very low	80 Å²	80	62.9 Å²	62.9	49%	0.485	34%	0.335	S	S	.	.	H	α-helix	trans	-77.6	-49.2	171.1	172.1	0	0	0	0	108.9	E154 I155 V156 G160 H161 W162	E154-V158 WeakPolarHBondContact O-CG2 3.45Å; E154-V158 PolarHBondContact O-N 3.48Å; I155-V158 PolarHBondContact O-N 3.49Å; I155-V158 VanDerWaalsContact O-N 3.14Å; V156-V158 VanDerWaalsContact C-N 3.34Å; V158-G160 PolarHBondContact O-N 3.27Å; V158-H161 PolarHBondContact O-N 2.98Å; V158-W162 WeakPolarHBondContact O-CB 2.88Å; V158-W162 PolarHBondContact O-N 3.18Å
159	I	37.7	Very low	43.1	Very low	89 Å²	89	61 Å²	61	46%	0.456	33%	0.325	S	S	.	.	H	α-helix	trans	-59.7	-44.6	-176.8	-69.6	168.6	0	0	0	111.7	I155 V156 W162 A163	I155-I159 HydrophobicContact CG2-CD1 3.67Å; I155-I159 HydrophobicContact CG2-CG1 4.35Å; I155-I159 WeakPolarHBondContact O-CB 3.26Å; I155-I159 VanDerWaalsContact O-CG1 3.23Å; I155-I159 WeakPolarHBondContact O-CG1 3.4Å; I155-I159 PolarHBondContact O-N 2.94Å; V156-I159 PolarHBondContact O-N 3.04Å; I159-W162 PolarHBondContact O-N 3.5Å; I159-A163 VanDerWaalsContact O-CB 3.29Å; I159-A163 WeakPolarHBondContact O-CB 3.36Å; I159-A163 PolarHBondContact O-N 2.77Å
160	G	43.8	Very low	43.2	Very low	12 Å²	12	60.5 Å²	60.5	12%	0.124	32%	0.324	C	S	.	.	H	α-helix	trans	-74.7	-34.4	-177.3	0	0	0	0	0	113.9	W126 V156 V158 W162 A163 S164	W126-G160 VanDerWaalsContact NE1-CA 3.31Å; V156-G160 PolarHBondContact O-N 2.94Å; V158-G160 PolarHBondContact O-N 3.27Å; G160-W162 VanDerWaalsContact C-N 3.29Å; G160-W162 PolarHBondContact O-N 3.36Å; G160-A163 PolarHBondContact O-N 3.3Å; G160-S164 PolarHBondContact O-N 3.47Å
161	H	46.4	Very low	43.2	Very low	32 Å²	32	57 Å²	57	15%	0.148	31%	0.305	C	S	.	.	H	α-helix	trans	-57.1	-47.1	168	-81.5	154.6	0	0	0	109.7	D60 Y62 W126 G157 V158 S164 T165	D60-H161 IonicContact OD1-CD2 2.69Å; D60-H161 PolarHBondContact OD1-CD2 3.37Å; D60-H161 IonicContact OD1-NE2 3.68Å; D60-H161 IonicContact OD2-CD2 3.72Å; D60-H161 PolarHBondContact OD2-CD2 3.41Å; D60-H161 IonicContact OD2-CG 3.4Å; Y62-H161 HydrophobicContact CD2-CB 4.27Å; W126-H161 HydrophobicContact CH2-CB 4.32Å; W126-H161 AromaticContact CH2-CD2 2.96Å; W126-H161 WeakPolarHBondContact CH2-CD2 3.3Å; W126-H161 AromaticContact CH2-CE1 3.06Å; W126-H161 WeakPolarHBondContact CH2-CE1 3.34Å; W126-H161 AromaticContact CH2-CG 3.23Å; W126-H161 AromaticContact CH2-ND1 3.26Å; W126-H161 VanDerWaalsContact CH2-ND1 3.26Å; W126-H161 WeakPolarHBondContact CH2-ND1 3.29Å; W126-H161 AromaticContact CH2-NE2 2.88Å; W126-H161 WeakPolarHBondContact CH2-NE2 3.32Å; W126-H161 HydrophobicContact CZ2-CB 4.02Å; W126-H161 AromaticContact CZ2-CD2 3.36Å; W126-H161 WeakPolarHBondContact CZ2-CD2 3.42Å; W126-H161 AromaticContact CZ2-CG 3.38Å; W126-H161 VanDerWaalsContact CZ2-N 3.27Å; W126-H161 AromaticContact CZ2-ND1 3.78Å; W126-H161 AromaticContact CZ2-NE2 3.8Å; W126-H161 AromaticContact CZ3-CD2 3.45Å; W126-H161 VanDerWaalsContact CZ3-CD2 3.45Å; W126-H161 WeakPolarHBondContact CZ3-CD2 3.43Å; W126-H161 AromaticContact CZ3-CE1 3.63Å; W126-H161 AromaticContact CZ3-NE2 3.08Å; W126-H161 WeakPolarHBondContact CZ3-NE2 3.45Å; G157-H161 WeakPolarHBondContact O-CB 2.96Å; G157-H161 PolarHBondContact O-ND1 3.38Å; V158-H161 PolarHBondContact O-N 2.98Å; H161-S164 PolarHBondContact O-OG 2.87Å; H161-T165 WeakPolarHBondContact O-CB 2.98Å; H161-T165 PolarHBondContact O-N 3.34Å; H161-T165 VanDerWaalsContact O-N 3.17Å; H161-T165 PolarHBondContact O-OG1 2.99Å
162	W	41.6	Very low	43.3	Very low	87 Å²	87	54.3 Å²	54.3	33%	0.33	29%	0.294	S	S	.	.	H	α-helix	trans	-71	-38.7	-178.9	-84	106.4	0	0	0	114.1	L81 V158 I159 G160 S164 T165 R166	L81-W162 HydrophobicContact CD2-CH2 3.45Å; L81-W162 VanDerWaalsContact CD2-CH2 3.45Å; L81-W162 HydrophobicContact CD2-CZ2 4.17Å; L81-W162 HydrophobicContact CD2-CZ3 4.2Å; L81-W162 HydrophobicContact CG-CH2 4.44Å; V158-W162 WeakPolarHBondContact O-CB 2.88Å; V158-W162 PolarHBondContact O-N 3.18Å; I159-W162 PolarHBondContact O-N 3.5Å; G160-W162 VanDerWaalsContact C-N 3.29Å; G160-W162 PolarHBondContact O-N 3.36Å; W162-S164 VanDerWaalsContact C-N 3.35Å; W162-S164 PolarHBondContact O-N 2.86Å; W162-T165 PolarHBondContact O-N 3.35Å; W162-R166 WeakPolarHBondContact O-CB 3.22Å; W162-R166 PolarHBondContact O-N 3.39Å
163	A	44.2	Very low	43.2	Very low	32 Å²	32	55.4 Å²	55.4	26%	0.264	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-42.7	178.7	0	0	0	0	0	111.2	I159 G160 K167	I159-A163 VanDerWaalsContact O-CB 3.29Å; I159-A163 WeakPolarHBondContact O-CB 3.36Å; I159-A163 PolarHBondContact O-N 2.77Å; G160-A163 PolarHBondContact O-N 3.3Å; A163-K167 WeakPolarHBondContact O-CB 3.49Å; A163-K167 PolarHBondContact O-N 3.04Å; A163-K167 VanDerWaalsContact O-N 3.12Å
164	S	48.8	Very low	42.9	Very low	6 Å²	6	53.9 Å²	53.9	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-48	176.2	78.3	0	0	0	0	111	S122 G160 H161 W162 K167 V168	S122-S164 WeakPolarHBondContact OG-CB 3.4Å; G160-S164 PolarHBondContact O-N 3.47Å; H161-S164 PolarHBondContact O-OG 2.87Å; W162-S164 VanDerWaalsContact C-N 3.35Å; W162-S164 PolarHBondContact O-N 2.86Å; S164-K167 PolarHBondContact O-N 3.29Å; S164-V168 VanDerWaalsContact O-CG2 3.28Å; S164-V168 WeakPolarHBondContact O-CG2 3.06Å; S164-V168 PolarHBondContact O-N 2.91Å
165	T	47	Very low	42.9	Very low	10 Å²	10	56.8 Å²	56.8	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-49.9	179.3	-59.2	0	0	0	0	112	Y62 A66 H161 W162 K167 V168 L169	Y62-T165 WeakPolarHBondContact CB-OG1 3.07Å; A66-T165 HydrophobicContact CB-CG2 4.25Å; H161-T165 WeakPolarHBondContact O-CB 2.98Å; H161-T165 PolarHBondContact O-N 3.34Å; H161-T165 VanDerWaalsContact O-N 3.17Å; H161-T165 PolarHBondContact O-OG1 2.99Å; W162-T165 PolarHBondContact O-N 3.35Å; T165-K167 VanDerWaalsContact C-N 3.3Å; T165-K167 PolarHBondContact O-N 2.84Å; T165-V168 PolarHBondContact O-N 3.25Å; T165-L169 HydrophobicContact CG2-CD1 4.05Å; T165-L169 VanDerWaalsContact O-CG 3.28Å; T165-L169 WeakPolarHBondContact O-CG 3.33Å; T165-L169 PolarHBondContact O-N 3.29Å
166	R	45.9	Very low	42.9	Very low	126 Å²	126	55.9 Å²	55.9	48%	0.475	32%	0.324	S	S	.	.	H	α-helix	trans	-58.4	-42	179.9	179.4	179.1	168.9	-165.5	-5.6	111.3	W162 L169 S170 E180	W162-R166 WeakPolarHBondContact O-CB 3.22Å; W162-R166 PolarHBondContact O-N 3.39Å; R166-L169 PolarHBondContact O-N 3.37Å; R166-S170 VanDerWaalsContact O-CB 3.25Å; R166-S170 WeakPolarHBondContact O-CB 2.94Å; R166-S170 PolarHBondContact O-N 3.4Å; R166-E180 IonicContact NH2-OE1 2.69Å; R166-E180 PolarHBondContact NH2-OE1 3.43Å
167	K	46.2	Very low	42.7	Very low	60 Å²	60	58.9 Å²	58.9	26%	0.261	34%	0.338	S	S	.	.	H	α-helix	trans	-76	-37	-177.7	-168.6	73.8	173.5	-173.5	0	112.7	M118 A163 S164 T165 L169 S170 L171	M118-K167 HydrophobicContact CE-CB 4.11Å; M118-K167 HydrophobicContact CE-CD 4.1Å; M118-K167 HydrophobicContact CE-CG 3.41Å; M118-K167 VanDerWaalsContact CE-CG 3.41Å; M118-K167 HydrophobicContact SD-CB 4.38Å; M118-K167 HydrophobicContact SD-CD 4.12Å; M118-K167 HydrophobicContact SD-CG 3.34Å; M118-K167 WeakPolarHBondContact SD-CG 3.21Å; A163-K167 WeakPolarHBondContact O-CB 3.49Å; A163-K167 PolarHBondContact O-N 3.04Å; A163-K167 VanDerWaalsContact O-N 3.12Å; S164-K167 PolarHBondContact O-N 3.29Å; T165-K167 VanDerWaalsContact C-N 3.3Å; T165-K167 PolarHBondContact O-N 2.84Å; K167-L169 VanDerWaalsContact C-N 3.29Å; K167-L169 PolarHBondContact O-N 2.95Å; K167-S170 PolarHBondContact O-N 2.77Å; K167-L171 HydrophobicContact CD-CG 4.34Å; K167-L171 HydrophobicContact CG-CD1 4.02Å; K167-L171 HydrophobicContact CG-CG 4.19Å; K167-L171 WeakPolarHBondContact O-CB 3Å; K167-L171 VanDerWaalsContact O-CG 3.31Å; K167-L171 WeakPolarHBondContact O-CG 3.48Å; K167-L171 PolarHBondContact O-N 3.36Å
168	V	48	Very low	42.2	Very low	5 Å²	5	62 Å²	62	3%	0.03	35%	0.349	C	S	.	.	H	α-helix	trans	-56.5	-46.6	170.1	169.9	0	0	0	0	110.1	A66 L70 A115 I119 S164 T165 A172	A66-V168 HydrophobicContact CB-CG1 4.08Å; L70-V168 HydrophobicContact CD1-CG1 3.84Å; A115-V168 HydrophobicContact CB-CG2 4.23Å; I119-V168 HydrophobicContact CD1-CG2 4.28Å; I119-V168 HydrophobicContact CG1-CG2 4.17Å; S164-V168 VanDerWaalsContact O-CG2 3.28Å; S164-V168 WeakPolarHBondContact O-CG2 3.06Å; S164-V168 PolarHBondContact O-N 2.91Å; T165-V168 PolarHBondContact O-N 3.25Å; V168-A172 WeakPolarHBondContact O-CB 3.4Å; V168-A172 PolarHBondContact O-N 3.27Å; V168-A172 VanDerWaalsContact O-N 3.13Å
169	L	44.6	Very low	41.8	Very low	34 Å²	34	64.9 Å²	64.9	18%	0.178	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-43.6	177.1	-66.7	173.5	0	0	0	112.6	A66 T165 R166 K167 A172 G173 V174	A66-L169 HydrophobicContact CB-CD2 4.05Å; A66-L169 HydrophobicContact CB-CG 4.28Å; T165-L169 HydrophobicContact CG2-CD1 4.05Å; T165-L169 VanDerWaalsContact O-CG 3.28Å; T165-L169 WeakPolarHBondContact O-CG 3.33Å; T165-L169 PolarHBondContact O-N 3.29Å; R166-L169 PolarHBondContact O-N 3.37Å; K167-L169 VanDerWaalsContact C-N 3.29Å; K167-L169 PolarHBondContact O-N 2.95Å; L169-A172 CarbonylContact O-C 3.52Å; L169-A172 PolarHBondContact O-N 3.43Å; L169-G173 PolarHBondContact O-N 2.95Å; L169-V174 HydrophobicContact CB-CB 4.32Å; L169-V174 HydrophobicContact CD2-CG2 4.48Å; L169-V174 WeakPolarHBondContact O-CB 3.39Å; L169-V174 PolarHBondContact O-N 3.23Å
170	S	45.9	Very low	41.5	Very low	71 Å²	71	67.2 Å²	67.2	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-45.4	178.6	174.8	0	0	0	0	112.8	R166 K167 A172 G173	R166-S170 VanDerWaalsContact O-CB 3.25Å; R166-S170 WeakPolarHBondContact O-CB 2.94Å; R166-S170 PolarHBondContact O-N 3.4Å; K167-S170 PolarHBondContact O-N 2.77Å; S170-A172 PolarHBondContact O-N 3.24Å; S170-G173 WeakPolarHBondContact O-CA 3.46Å; S170-G173 PolarHBondContact O-N 2.77Å
171	L	44	Very low	40.8	Very low	66 Å²	66	70.2 Å²	70.2	35%	0.346	39%	0.385	S	S	.	.	H	α-helix	trans	-64.7	-29.6	176.7	-73.9	172.4	0	0	0	112	A114 M118 K167 G173	A114-L171 HydrophobicContact CB-CD1 3.85Å; M118-L171 HydrophobicContact SD-CD1 3.83Å; K167-L171 HydrophobicContact CD-CG 4.34Å; K167-L171 HydrophobicContact CG-CD1 4.02Å; K167-L171 HydrophobicContact CG-CG 4.19Å; K167-L171 WeakPolarHBondContact O-CB 3Å; K167-L171 VanDerWaalsContact O-CG 3.31Å; K167-L171 WeakPolarHBondContact O-CG 3.48Å; K167-L171 PolarHBondContact O-N 3.36Å; L171-G173 PolarHBondContact O-N 3.02Å
172	A	41.7	Very low	40.2	Very low	28 Å²	28	73.9 Å²	73.9	23%	0.231	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	2.8	172.1	0	0	0	0	0	113.7	L70 V168 L169 S170 V174	L70-A172 HydrophobicContact CD1-CB 3.51Å; L70-A172 HydrophobicContact CD2-CB 3.42Å; L70-A172 VanDerWaalsContact CD2-CB 3.42Å; L70-A172 HydrophobicContact CG-CB 4.08Å; V168-A172 WeakPolarHBondContact O-CB 3.4Å; V168-A172 PolarHBondContact O-N 3.27Å; V168-A172 VanDerWaalsContact O-N 3.13Å; L169-A172 CarbonylContact O-C 3.52Å; L169-A172 PolarHBondContact O-N 3.43Å; S170-A172 PolarHBondContact O-N 3.24Å; A172-V174 VanDerWaalsContact C-N 3.27Å; A172-V174 HydrophobicContact CB-CG2 4.33Å; A172-V174 PolarHBondContact O-N 3.49Å
173	G	38.3	Very low	39.8	Very low	52 Å²	52	74.1 Å²	74.1	54%	0.536	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	11	178.5	0	0	0	0	0	114.4	L169 S170 L171 K175	L169-G173 PolarHBondContact O-N 2.95Å; S170-G173 WeakPolarHBondContact O-CA 3.46Å; S170-G173 PolarHBondContact O-N 2.77Å; L171-G173 PolarHBondContact O-N 3.02Å; G173-K175 PolarHBondContact O-N 3.39Å
174	V	36.3	Very low	39	Very low	54 Å²	54	78.7 Å²	78.7	33%	0.327	43%	0.431	S	S	.	.			trans	-73.5	98.1	176.8	-175.6	0	0	0	0	108.4	L70 L169 A172 I177	L70-V174 HydrophobicContact CD2-CG2 3.74Å; L169-V174 HydrophobicContact CB-CB 4.32Å; L169-V174 HydrophobicContact CD2-CG2 4.48Å; L169-V174 WeakPolarHBondContact O-CB 3.39Å; L169-V174 PolarHBondContact O-N 3.23Å; A172-V174 VanDerWaalsContact C-N 3.27Å; A172-V174 HydrophobicContact CB-CG2 4.33Å; A172-V174 PolarHBondContact O-N 3.49Å; V174-I177 HydrophobicContact CG1-CD1 3.81Å; V174-I177 HydrophobicContact CG1-CG1 4.2Å
175	K	39.7	Very low	38	Very low	201 Å²	201	83.9 Å²	83.9	87%	0.874	46%	0.463	S	S	*	.			trans	-99	139	172.8	-65.5	-176.7	178.6	-176.7	0	109.4	G173	G173-K175 PolarHBondContact O-N 3.39Å
176	G	38.1	Very low	37.1	Very low	68 Å²	68	91.2 Å²	91.2	70%	0.701	50%	0.496	S	S	*	.			trans	102	12.9	163.6	0	0	0	0	0	118.2
177	I	38.1	Very low	36.2	Very low	105 Å²	105	90.5 Å²	90.5	54%	0.538	51%	0.506	S	S	.	.	S	Bend	trans	-80.6	-29.8	169.5	-59.3	-179.9	0	0	0	110.9	V174	V174-I177 HydrophobicContact CG1-CD1 3.81Å; V174-I177 HydrophobicContact CG1-CG1 4.2Å
178	I	30.3	Very low	35.6	Very low	84 Å²	84	93.3 Å²	93.3	43%	0.431	53%	0.53	S	S	.	.	S	Bend	trans	-150.4	132	177.7	-53.9	-179.5	0	0	0	107.4	L81 D182 V183	L81-I178 HydrophobicContact CD2-CD1 4.02Å; I178-D182 HydrophobicContact CG2-CB 3.75Å; I178-V183 HydrophobicContact CG2-CG2 4.5Å
179	E	32.3	Very low	34.6	Very low	140 Å²	140	99.8 Å²	99.8	65%	0.654	56%	0.56	S	S	*	*			trans	-82.4	147.2	176.7	-66.3	-167.5	170.4	0	0	110.1	S181 D182	E179-S181 PolarHBondContact O-N 2.57Å; E179-D182 PolarHBondContact N-OD2 2.75Å; E179-D182 WeakPolarHBondContact O-CB 3.25Å; E179-D182 PolarHBondContact O-N 2.72Å
180	E	30.2	Very low	33.6	Very low	138 Å²	138	105.4 Å²	105.4	65%	0.645	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-56.4	-25.7	-176.8	-102.2	176.1	170.6	0	0	113.8	R166 D182	R166-E180 IonicContact NH2-OE1 2.69Å; R166-E180 PolarHBondContact NH2-OE1 3.43Å; E180-D182 VanDerWaalsContact C-N 3.29Å; E180-D182 PolarHBondContact O-N 3.21Å
181	S	29.5	Very low	32.8	Very low	75 Å²	75	107.8 Å²	107.8	52%	0.524	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-67.5	-22.6	175.3	46.6	0	0	0	0	114.4	E179 V183	E179-S181 PolarHBondContact O-N 2.57Å; S181-V183 VanDerWaalsContact C-N 3.26Å; S181-V183 PolarHBondContact O-N 2.82Å
182	D	33.6	Very low	32	Very low	110 Å²	110	114 Å²	114	59%	0.588	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-74.7	-13.7	-169.7	-66.6	-30.6	0	0	0	113.7	I178 E179 E180	I178-D182 HydrophobicContact CG2-CB 3.75Å; E179-D182 PolarHBondContact N-OD2 2.75Å; E179-D182 WeakPolarHBondContact O-CB 3.25Å; E179-D182 PolarHBondContact O-N 2.72Å; E180-D182 VanDerWaalsContact C-N 3.29Å; E180-D182 PolarHBondContact O-N 3.21Å
183	V	33	Very low	31.5	Very low	92 Å²	92	116.5 Å²	116.5	56%	0.558	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.8	-32.9	-175	-165.3	0	0	0	0	113.4	I178 S181	I178-V183 HydrophobicContact CG2-CG2 4.5Å; S181-V183 VanDerWaalsContact C-N 3.26Å; S181-V183 PolarHBondContact O-N 2.82Å
184	F	28.1	Very low	31.2	Very low	127 Å²	127	117.3 Å²	117.3	56%	0.557	61%	0.611	S	S	*	*			trans	-140.2	86.4	-172.6	-57.3	-75.2	0	0	0	109.7	H186	F184-H186 PolarHBondContact O-N 2.79Å
185	T	27.2	Very low	31.3	Very low	116 Å²	116	119.9 Å²	119.9	71%	0.712	62%	0.623	S	S	*	*			trans	-54.1	107.8	162	31.3	0	0	0	0	109.5
186	H	28	Very low	31.1	Very low	163 Å²	163	117.1 Å²	117.1	76%	0.755	61%	0.613	S	S	*	*	S	Bend	trans	77.6	86.7	159.3	-53.5	-50.8	0	0	0	119.1	F184	F184-H186 PolarHBondContact O-N 2.79Å
187	T	26.9	Very low	31	Very low	112 Å²	112	116.7 Å²	116.7	69%	0.687	59%	0.594	S	S	*	*				177	153.2	96.5	28.4	0	0	0	0	112.1	Q189	T187-Q189 PolarHBondContact O-N 3.38Å
188	P	33.1	Very low	31	Very low	118 Å²	118	117.2 Å²	117.2	77%	0.766	59%	0.59	S	S	*	*			trans	-81.5	89.3	-171	33.1	-31.4	0	0	0	109.8
189	Q	27.1	Very low	31.3	Very low	141 Å²	141	116.4 Å²	116.4	66%	0.659	59%	0.59	S	S	*	*			trans	-112.5	106.7	169.9	-70.6	177.8	-0.2	0	0	108	T187 L191	T187-Q189 PolarHBondContact O-N 3.38Å; Q189-L191 PolarHBondContact O-N 2.78Å
190	E	25	Very low	31.6	Very low	152 Å²	152	113.8 Å²	113.8	71%	0.71	57%	0.574	S	S	*	*			trans	-36.2	128.9	140.3	-65	178.9	151.3	0	0	107	R192	E190-R192 PolarHBondContact O-N 2.89Å
191	L	29.1	Very low	31.9	Very low	122 Å²	122	111 Å²	111	64%	0.639	56%	0.56	S	S	*	*			trans	-57.7	70.2	174.5	-82.9	151.7	0	0	0	110	Q189 I193	Q189-L191 PolarHBondContact O-N 2.78Å; L191-I193 PolarHBondContact O-N 3.45Å
192	R	25.7	Very low	32.2	Very low	197 Å²	197	113.7 Å²	113.7	74%	0.743	57%	0.568	S	S	*	*			trans	-68.2	108.2	153.6	-70.4	-173.1	-179.2	-167.8	0.2	101.8	E190 I194	E190-R192 PolarHBondContact O-N 2.89Å; R192-I194 PolarHBondContact O-N 3.33Å
193	I	31.4	Very low	32.1	Very low	79 Å²	79	111.5 Å²	111.5	41%	0.405	56%	0.561	S	S	.	*			trans	-48	105.4	156.1	-62.6	172.2	0	0	0	103.7	L191 D195 L197 R198 F201	L191-I193 PolarHBondContact O-N 3.45Å; I193-D195 PolarHBondContact O-N 3.41Å; I193-L197 HydrophobicContact CG2-CB 4.06Å; I193-R198 HydrophobicContact CG2-CB 4.27Å; I193-F201 HydrophobicContact CG2-CD2 3.56Å; I193-F201 HydrophobicContact CG2-CE2 3.82Å
194	I	32.9	Very low	32.2	Very low	70 Å²	70	112.2 Å²	112.2	36%	0.359	57%	0.568	S	S	.	*			trans	-53.9	140.3	-172.4	-53.3	173	0	0	0	105.7	R192 E196 L197 R198	R192-I194 PolarHBondContact O-N 3.33Å; I194-E196 HydrophobicContact CG2-CB 4.12Å; I194-E196 HydrophobicContact CG2-CG 4.24Å; I194-E196 WeakPolarHBondContact CG2-OE2 3.44Å; I194-E196 PolarHBondContact O-N 3.27Å; I194-L197 HydrophobicContact CB-CG 4.47Å; I194-L197 WeakPolarHBondContact O-CA 3.38Å; I194-L197 PolarHBondContact O-N 3.02Å; I194-R198 PolarHBondContact O-N 2.7Å
195	D	38.2	Very low	32.9	Very low	108 Å²	108	109.9 Å²	109.9	58%	0.578	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	-29	-177.7	-71.1	-37.5	0	0	0	111.2	I193 R198 P199	I193-D195 PolarHBondContact O-N 3.41Å; D195-R198 PolarHBondContact O-N 2.65Å; D195-R198 IonicContact OD1-CZ 3.43Å; D195-R198 IonicContact OD1-NH1 3.88Å; D195-R198 PolarHBondContact OD1-NH1 2.71Å; D195-R198 IonicContact OD1-NH2 3.21Å; D195-R198 PolarHBondContact OD1-NH2 3.03Å; D195-P199 WeakPolarHBondContact O-CD 3.35Å
196	E	36.2	Very low	33.8	Very low	142 Å²	142	111.8 Å²	111.8	66%	0.664	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-36.7	171.2	-64.9	137.3	-161.3	0	0	113.5	I194 Y200	I194-E196 HydrophobicContact CG2-CB 4.12Å; I194-E196 HydrophobicContact CG2-CG 4.24Å; I194-E196 WeakPolarHBondContact CG2-OE2 3.44Å; I194-E196 PolarHBondContact O-N 3.27Å; E196-Y200 WeakPolarHBondContact O-CD2 3.44Å; E196-Y200 WeakPolarHBondContact O-CE2 3.29Å
197	L	35.9	Very low	35.1	Very low	59 Å²	59	106.2 Å²	106.2	31%	0.309	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-26.1	178.1	-69.2	179.8	0	0	0	113.2	L139 I193 I194 Y200 F201	L139-L197 HydrophobicContact CD2-CD2 4.32Å; I193-L197 HydrophobicContact CG2-CB 4.06Å; I194-L197 HydrophobicContact CB-CG 4.47Å; I194-L197 WeakPolarHBondContact O-CA 3.38Å; I194-L197 PolarHBondContact O-N 3.02Å; L197-Y200 HydrophobicContact CD2-CD2 4.22Å; L197-Y200 PolarHBondContact O-N 2.75Å; L197-F201 HydrophobicContact CB-CD2 4.4Å; L197-F201 HydrophobicContact CB-CE2 4.14Å; L197-F201 WeakPolarHBondContact O-CD2 3.41Å; L197-F201 PolarHBondContact O-N 3.28Å
198	R	38.3	Very low	36.7	Very low	117 Å²	117	101.3 Å²	101.3	44%	0.442	51%	0.514	S	S	.	.	H	α-helix	trans	-54.3	-42.9	-175	-174.4	-177.1	-65.7	136.6	11.4	113.5	I193 I194 D195 Y200 F201 L202	I193-R198 HydrophobicContact CG2-CB 4.27Å; I194-R198 PolarHBondContact O-N 2.7Å; D195-R198 PolarHBondContact O-N 2.65Å; D195-R198 IonicContact OD1-CZ 3.43Å; D195-R198 IonicContact OD1-NH1 3.88Å; D195-R198 PolarHBondContact OD1-NH1 2.71Å; D195-R198 IonicContact OD1-NH2 3.21Å; D195-R198 PolarHBondContact OD1-NH2 3.03Å; R198-Y200 VanDerWaalsContact C-N 3.27Å; R198-Y200 PolarHBondContact O-N 3.2Å; R198-F201 PolarHBondContact O-N 3.45Å; R198-F201 VanDerWaalsContact O-N 3.15Å; R198-L202 HydrophobicContact CG-CD1 3.54Å; R198-L202 HydrophobicContact CG-CG 3.97Å; R198-L202 WeakPolarHBondContact O-CG 3.49Å; R198-L202 PolarHBondContact O-N 3.42Å
199	P	36.1	Very low	38.2	Very low	67 Å²	67	97.2 Å²	97.2	44%	0.435	49%	0.485	S	S	.	.	H	α-helix	trans	-54.9	-40.2	174.2	-26.7	33.9	0	0	0	112.9	D195 F201 L202 S203	D195-P199 WeakPolarHBondContact O-CD 3.35Å; P199-F201 VanDerWaalsContact C-N 3.27Å; P199-F201 PolarHBondContact O-N 3.29Å; P199-L202 PolarHBondContact O-N 2.82Å; P199-S203 WeakPolarHBondContact O-CB 3.33Å; P199-S203 PolarHBondContact O-N 3.48Å; P199-S203 PolarHBondContact O-OG 3.43Å; P199-S203 VanDerWaalsContact O-OG 3.04Å
200	Y	38	Very low	40.1	Very low	84 Å²	84	90.7 Å²	90.7	33%	0.329	45%	0.454	S	S	.	.	H	α-helix	trans	-71.6	-20.8	-177.9	-50.2	-77	0	0	0	113.5	Y128 P138 E196 L197 R198	Y128-Y200 WeakPolarHBondContact CE2-O 3.34Å; P138-Y200 HydrophobicContact CB-CD1 4.27Å; P138-Y200 HydrophobicContact CB-CE1 3.71Å; P138-Y200 HydrophobicContact CG-CD1 4.05Å; P138-Y200 HydrophobicContact CG-CE1 3.8Å; E196-Y200 WeakPolarHBondContact O-CD2 3.44Å; E196-Y200 WeakPolarHBondContact O-CE2 3.29Å; L197-Y200 HydrophobicContact CD2-CD2 4.22Å; L197-Y200 PolarHBondContact O-N 2.75Å; R198-Y200 VanDerWaalsContact C-N 3.27Å; R198-Y200 PolarHBondContact O-N 3.2Å
201	F	36.7	Very low	42.3	Very low	79 Å²	79	83.6 Å²	83.6	35%	0.346	42%	0.421	S	S	.	.	H	α-helix	trans	-88.6	-29	172.9	-73.5	-76.1	0	0	0	113.4	S125 I193 L197 R198 P199	S125-F201 VanDerWaalsContact OG-CE1 3.25Å; S125-F201 WeakPolarHBondContact OG-CE1 3.28Å; S125-F201 WeakPolarHBondContact OG-CZ 3.41Å; I193-F201 HydrophobicContact CG2-CD2 3.56Å; I193-F201 HydrophobicContact CG2-CE2 3.82Å; L197-F201 HydrophobicContact CB-CD2 4.4Å; L197-F201 HydrophobicContact CB-CE2 4.14Å; L197-F201 WeakPolarHBondContact O-CD2 3.41Å; L197-F201 PolarHBondContact O-N 3.28Å; R198-F201 PolarHBondContact O-N 3.45Å; R198-F201 VanDerWaalsContact O-N 3.15Å; P199-F201 VanDerWaalsContact C-N 3.27Å; P199-F201 PolarHBondContact O-N 3.29Å
202	L	34.8	Very low	44.5	Very low	132 Å²	132	82.8 Å²	82.8	69%	0.691	41%	0.414	S	S	*	.	H	α-helix	trans	-93.7	-23.6	-177.5	-65	-176.1	0	0	0	113.1	R198 P199	R198-L202 HydrophobicContact CG-CD1 3.54Å; R198-L202 HydrophobicContact CG-CG 3.97Å; R198-L202 WeakPolarHBondContact O-CG 3.49Å; R198-L202 PolarHBondContact O-N 3.42Å; P199-L202 PolarHBondContact O-N 2.82Å
203	S	32.1	Very low	46.9	Very low	64 Å²	64	74.8 Å²	74.8	45%	0.448	39%	0.386	S	S	.	.	S	Bend	trans	-80.6	124.9	174	-67.3	0	0	0	0	109.1	P199	P199-S203 WeakPolarHBondContact O-CB 3.33Å; P199-S203 PolarHBondContact O-N 3.48Å; P199-S203 PolarHBondContact O-OG 3.43Å; P199-S203 VanDerWaalsContact O-OG 3.04Å
204	P	35.8	Very low	49.3	Very low	108 Å²	108	71 Å²	71	70%	0.701	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-55.7	150.6	171.6	23.3	-31.3	0	0	0	109.7	E206	P204-E206 PolarHBondContact O-N 2.82Å
205	P	42.9	Very low	51.6	Low	77 Å²	77	71.7 Å²	71.7	50%	0.5	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-48	133.5	173.7	-23.7	31.5	0	0	0	110.1	Y128	Y128-P205 HydrophobicContact CD2-CG 4.43Å
206	E	46	Very low	53.6	Low	157 Å²	157	68.2 Å²	68.2	73%	0.734	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-60	145.9	167.2	-73	-169.3	170.5	0	0	108.9	P204 S208	P204-E206 PolarHBondContact O-N 2.82Å; E206-S208 PolarHBondContact O-N 2.79Å; E206-S208 VanDerWaalsContact O-N 3.08Å
207	T	54.8	Low	55.6	Low	45 Å²	45	70.1 Å²	70.1	28%	0.276	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-58.8	122.1	179.4	-36.3	0	0	0	0	108.5	I211 Q212	T207-I211 HydrophobicContact CG2-CB 3.8Å; T207-I211 HydrophobicContact CG2-CG2 3.38Å; T207-Q212 WeakPolarHBondContact O-CG 3.44Å; T207-Q212 PolarHBondContact O-NE2 3.14Å
208	S	59.8	Low	57.6	Low	10 Å²	10	73 Å²	73	7%	0.07	37%	0.367	C	S	.	.			trans	-39.9	138.6	178	-178	0	0	0	0	114.5	L133 E206 I210 I211 Q212	L133-S208 VanDerWaalsContact CA-OG 3.31Å; L133-S208 WeakPolarHBondContact CA-OG 3.23Å; L133-S208 WeakPolarHBondContact CB-OG 3.15Å; L133-S208 WeakPolarHBondContact CD2-OG 3.46Å; L133-S208 WeakPolarHBondContact O-CA 3.04Å; L133-S208 WeakPolarHBondContact O-CB 3.2Å; L133-S208 PolarHBondContact O-OG 2.88Å; E206-S208 PolarHBondContact O-N 2.79Å; E206-S208 VanDerWaalsContact O-N 3.08Å; S208-I210 PolarHBondContact O-N 3.11Å; S208-I210 VanDerWaalsContact O-N 3.07Å; S208-I210 PolarHBondContact OG-N 2.95Å; S208-I211 CarbonylContact O-C 3.58Å; S208-I211 WeakPolarHBondContact O-CA 3.44Å; S208-I211 PolarHBondContact O-N 3.24Å; S208-Q212 WeakPolarHBondContact O-CG 3.48Å; S208-Q212 PolarHBondContact O-N 3.31Å
209	H	65.2	Low	59.6	Low	32 Å²	32	67.5 Å²	67.5	15%	0.148	35%	0.346	C	S	.	.	H	α-helix	trans	-52.3	-30.5	170.4	57.7	-99.6	0	0	0	112.7	D136 L213 F270	D136-H209 IonicContact OD1-ND1 3.48Å; D136-H209 IonicContact OD2-CE1 2.62Å; D136-H209 IonicContact OD2-CG 2.91Å; D136-H209 IonicContact OD2-ND1 2.71Å; D136-H209 PolarHBondContact OD2-ND1 3.12Å; H209-L213 VanDerWaalsContact O-CB 3.29Å; H209-L213 WeakPolarHBondContact O-CB 3.39Å; H209-L213 PolarHBondContact O-N 3.45Å; H209-F270 HydrophobicContact CB-CZ 4.46Å; H209-F270 AromaticContact CD2-CD2 3.97Å; H209-F270 AromaticContact CD2-CE1 3.51Å; H209-F270 AromaticContact CD2-CE2 3.46Å; H209-F270 VanDerWaalsContact CD2-CE2 3.46Å; H209-F270 WeakPolarHBondContact CD2-CE2 3.2Å; H209-F270 AromaticContact CD2-CZ 3.21Å; H209-F270 WeakPolarHBondContact CD2-CZ 3.5Å; H209-F270 AromaticContact NE2-CE1 3.82Å
210	I	67.3	Low	61.8	Low	3 Å²	3	65.5 Å²	65.5	2%	0.015	33%	0.334	C	S	.	.	H	α-helix	trans	-66.2	-48.5	175.4	-55	-167.6	0	0	0	110.2	L133 S208 Q212 L213 L214 L266 F270	L133-I210 HydrophobicContact CD2-CB 3.91Å; L133-I210 HydrophobicContact CD2-CD1 3.68Å; L133-I210 HydrophobicContact CD2-CG1 4.06Å; L133-I210 HydrophobicContact CD2-CG2 4.35Å; S208-I210 PolarHBondContact O-N 3.11Å; S208-I210 VanDerWaalsContact O-N 3.07Å; S208-I210 PolarHBondContact OG-N 2.95Å; I210-Q212 VanDerWaalsContact C-N 3.34Å; I210-L213 PolarHBondContact O-N 3.49Å; I210-L214 HydrophobicContact CG2-CD1 4.04Å; I210-L214 HydrophobicContact CG2-CG 4.49Å; I210-L214 WeakPolarHBondContact O-CB 2.92Å; I210-L214 VanDerWaalsContact O-CG 3.26Å; I210-L214 WeakPolarHBondContact O-CG 3.25Å; I210-L214 PolarHBondContact O-N 3.13Å; I210-L266 HydrophobicContact CD1-CD2 4.47Å; I210-L266 HydrophobicContact CD1-CG 4.34Å; I210-L266 HydrophobicContact CG2-CD1 4.46Å; I210-L266 HydrophobicContact CG2-CD2 3.93Å; I210-L266 HydrophobicContact CG2-CG 3.92Å; I210-F270 HydrophobicContact CB-CD2 4.06Å; I210-F270 HydrophobicContact CB-CG 4.49Å; I210-F270 HydrophobicContact CD1-CB 3.88Å; I210-F270 HydrophobicContact CD1-CG 4.13Å; I210-F270 HydrophobicContact CG1-CB 3.93Å; I210-F270 HydrophobicContact CG1-CD1 4.39Å; I210-F270 HydrophobicContact CG1-CD2 3.69Å; I210-F270 HydrophobicContact CG1-CE2 4.33Å; I210-F270 HydrophobicContact CG1-CG 3.72Å; I210-F270 HydrophobicContact CG2-CB 4.26Å; I210-F270 HydrophobicContact CG2-CD2 4.27Å
211	I	70.9	Confident	63.8	Low	3 Å²	3	63.7 Å²	63.7	2%	0.015	33%	0.333	C	S	.	.	H	α-helix	trans	-65.8	-39.5	178.1	-60.3	-57.8	0	0	0	110.3	L133 T207 S208 L214 R215 L239 V338 M341	L133-I211 HydrophobicContact CD1-CD1 4.1Å; L133-I211 HydrophobicContact CD1-CG1 3.88Å; T207-I211 HydrophobicContact CG2-CB 3.8Å; T207-I211 HydrophobicContact CG2-CG2 3.38Å; S208-I211 CarbonylContact O-C 3.58Å; S208-I211 WeakPolarHBondContact O-CA 3.44Å; S208-I211 PolarHBondContact O-N 3.24Å; I211-L214 PolarHBondContact O-N 3.38Å; I211-R215 VanDerWaalsContact O-CG 3.27Å; I211-R215 WeakPolarHBondContact O-CG 3.49Å; I211-R215 PolarHBondContact O-N 2.81Å; I211-L239 HydrophobicContact CD1-CD2 3.93Å; I211-V338 HydrophobicContact CD1-CG2 4.44Å; I211-V338 HydrophobicContact CG2-CG1 3.99Å; I211-M341 HydrophobicContact CD1-SD 3.51Å; I211-M341 VanDerWaalsContact CD1-SD 3.51Å; I211-M341 HydrophobicContact CG1-SD 4.44Å; I211-M341 HydrophobicContact CG2-CB 4.38Å
212	Q	74.8	Confident	66	Low	106 Å²	106	60.7 Å²	60.7	50%	0.495	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-45	173.9	-66.4	-179.5	10	0	0	111.8	T207 S208 I210 R215	T207-Q212 WeakPolarHBondContact O-CG 3.44Å; T207-Q212 PolarHBondContact O-NE2 3.14Å; S208-Q212 WeakPolarHBondContact O-CG 3.48Å; S208-Q212 PolarHBondContact O-N 3.31Å; I210-Q212 VanDerWaalsContact C-N 3.34Å; Q212-R215 WeakPolarHBondContact O-CB 3.44Å; Q212-R215 PolarHBondContact O-N 3.41Å
213	L	77.5	Confident	68.6	Low	28 Å²	28	54.4 Å²	54.4	15%	0.147	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-48.2	176.7	-174.7	72.9	0	0	0	110.7	H209 I210 R215 S216 I219 F270 L273 T274	H209-L213 VanDerWaalsContact O-CB 3.29Å; H209-L213 WeakPolarHBondContact O-CB 3.39Å; H209-L213 PolarHBondContact O-N 3.45Å; I210-L213 PolarHBondContact O-N 3.49Å; L213-R215 PolarHBondContact O-N 2.95Å; L213-S216 VanDerWaalsContact O-CB 3.31Å; L213-S216 WeakPolarHBondContact O-CB 3.38Å; L213-S216 PolarHBondContact O-N 3.39Å; L213-I219 HydrophobicContact CD1-CD1 3.67Å; L213-I219 HydrophobicContact CD1-CG1 3.81Å; L213-I219 HydrophobicContact CG-CD1 4.06Å; L213-I219 HydrophobicContact CG-CG1 4Å; L213-I219 HydrophobicContact CG-CG2 4.47Å; L213-I219 WeakPolarHBondContact O-CB 3.26Å; L213-I219 WeakPolarHBondContact O-CG1 3.21Å; L213-F270 HydrophobicContact CB-CD2 4.18Å; L213-F270 HydrophobicContact CB-CE2 3.87Å; L213-F270 HydrophobicContact CD2-CD2 3.43Å; L213-F270 VanDerWaalsContact CD2-CD2 3.43Å; L213-F270 HydrophobicContact CD2-CE2 3.49Å; L213-F270 VanDerWaalsContact CD2-CE2 3.49Å; L213-F270 HydrophobicContact CD2-CG 4.46Å; L213-F270 HydrophobicContact CG-CD2 4.43Å; L213-F270 HydrophobicContact CG-CE2 4.23Å; L213-L273 HydrophobicContact CD2-CB 4.12Å; L213-L273 HydrophobicContact CD2-CD2 3.84Å; L213-L273 HydrophobicContact CD2-CG 4.02Å; L213-L273 HydrophobicContact CG-CD2 4.38Å; L213-T274 WeakPolarHBondContact CD2-OG1 3.43Å
214	L	81.3	Confident	71.3	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-22.6	179.7	-67.8	174	0	0	0	113.1	I210 I211 S216 M223 L239 F269 L273 M335 V338	I210-L214 HydrophobicContact CG2-CD1 4.04Å; I210-L214 HydrophobicContact CG2-CG 4.49Å; I210-L214 WeakPolarHBondContact O-CB 2.92Å; I210-L214 VanDerWaalsContact O-CG 3.26Å; I210-L214 WeakPolarHBondContact O-CG 3.25Å; I210-L214 PolarHBondContact O-N 3.13Å; I211-L214 PolarHBondContact O-N 3.38Å; L214-S216 VanDerWaalsContact C-N 3.27Å; L214-S216 PolarHBondContact O-N 3.04Å; L214-M223 HydrophobicContact CD2-CE 4.35Å; L214-M223 HydrophobicContact CD2-SD 4.07Å; L214-L239 HydrophobicContact CD1-CD1 4.26Å; L214-L239 HydrophobicContact CD1-CD2 4.44Å; L214-F269 HydrophobicContact CD2-CE1 4.06Å; L214-L273 HydrophobicContact CD2-CD2 3.89Å; L214-M335 VanDerWaalsContact O-CE 3.3Å; L214-M335 WeakPolarHBondContact O-CE 3.32Å; L214-V338 HydrophobicContact CB-CG1 4.02Å; L214-V338 HydrophobicContact CB-CG2 3.79Å; L214-V338 HydrophobicContact CD1-CG2 3.82Å; L214-V338 HydrophobicContact CG-CG2 4.45Å
215	R	80.7	Confident	73.7	Confident	83 Å²	83	50.3 Å²	50.3	31%	0.313	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.6	173.2	-76.2	174.3	-175.7	169.8	8.1	113.7	I211 Q212 L213 K217 V338 M341	I211-R215 VanDerWaalsContact O-CG 3.27Å; I211-R215 WeakPolarHBondContact O-CG 3.49Å; I211-R215 PolarHBondContact O-N 2.81Å; Q212-R215 WeakPolarHBondContact O-CB 3.44Å; Q212-R215 PolarHBondContact O-N 3.41Å; L213-R215 PolarHBondContact O-N 2.95Å; R215-K217 PolarHBondContact O-N 3.2Å; R215-V338 HydrophobicContact CG-CG1 3.49Å; R215-V338 VanDerWaalsContact CG-CG1 3.49Å; R215-V338 PolarHBondContact NH2-O 3.42Å; R215-M341 PolarHBondContact NH2-O 3.12Å
216	S	80.6	Confident	75.9	Confident	36 Å²	36	46.6 Å²	46.6	25%	0.252	23%	0.227	S	C	.	.			trans	-69.3	129.8	-179	172.9	0	0	0	0	111.5	L213 L214 E218 I219 S220	L213-S216 VanDerWaalsContact O-CB 3.31Å; L213-S216 WeakPolarHBondContact O-CB 3.38Å; L213-S216 PolarHBondContact O-N 3.39Å; L214-S216 VanDerWaalsContact C-N 3.27Å; L214-S216 PolarHBondContact O-N 3.04Å; S216-E218 PolarHBondContact O-N 3.12Å; S216-E218 PolarHBondContact OG-N 2.79Å; S216-I219 WeakPolarHBondContact O-CB 3.38Å; S216-I219 PolarHBondContact O-N 3.01Å; S216-I219 VanDerWaalsContact O-N 3.1Å; S216-S220 PolarHBondContact O-N 3.03Å; S216-S220 VanDerWaalsContact O-N 3.07Å
217	K	78.3	Confident	77.8	Confident	181 Å²	181	41 Å²	41	79%	0.787	20%	0.204	S	C	*	.	H	α-helix	trans	-60.5	-31.6	173.4	-69.3	-175.6	178.8	-179.1	0	112.5	R215 I219 S220 C221	R215-K217 PolarHBondContact O-N 3.2Å; K217-I219 VanDerWaalsContact C-N 3.3Å; K217-S220 PolarHBondContact O-OG 3.13Å; K217-C221 PolarHBondContact O-N 3.21Å
218	E	77.2	Confident	79.3	Confident	121 Å²	121	42 Å²	42	57%	0.565	21%	0.208	S	C	*	.	H	α-helix	trans	-65	-41.5	176.4	-59.3	176.2	166.7	0	0	110.2	S216 C221 L222 H277	S216-E218 PolarHBondContact O-N 3.12Å; S216-E218 PolarHBondContact OG-N 2.79Å; E218-C221 WeakPolarHBondContact O-CB 3.44Å; E218-C221 PolarHBondContact O-N 3Å; E218-L222 WeakPolarHBondContact O-CG 3.47Å; E218-L222 PolarHBondContact O-N 3.45Å; E218-L222 VanDerWaalsContact O-N 3.13Å; E218-H277 IonicContact OE2-CD2 2.82Å; E218-H277 IonicContact OE2-CE1 2.75Å; E218-H277 IonicContact OE2-NE2 3.82Å; E218-H277 PolarHBondContact OE2-NE2 3.36Å
219	I	81.7	Confident	80.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.7	-41.5	-179.1	-63.4	-64.3	0	0	0	111	L213 S216 K217 C221 L222 M223 L273 H277	L213-I219 HydrophobicContact CD1-CD1 3.67Å; L213-I219 HydrophobicContact CD1-CG1 3.81Å; L213-I219 HydrophobicContact CG-CD1 4.06Å; L213-I219 HydrophobicContact CG-CG1 4Å; L213-I219 HydrophobicContact CG-CG2 4.47Å; L213-I219 WeakPolarHBondContact O-CB 3.26Å; L213-I219 WeakPolarHBondContact O-CG1 3.21Å; S216-I219 WeakPolarHBondContact O-CB 3.38Å; S216-I219 PolarHBondContact O-N 3.01Å; S216-I219 VanDerWaalsContact O-N 3.1Å; K217-I219 VanDerWaalsContact C-N 3.3Å; I219-C221 VanDerWaalsContact C-N 3.28Å; I219-C221 PolarHBondContact O-N 3.18Å; I219-L222 HydrophobicContact CD1-CD1 4.39Å; I219-L222 PolarHBondContact O-N 2.9Å; I219-L222 VanDerWaalsContact O-N 3.15Å; I219-M223 HydrophobicContact CG2-CE 4.39Å; I219-M223 WeakPolarHBondContact O-CG 3.43Å; I219-M223 PolarHBondContact O-N 3.42Å; I219-L273 HydrophobicContact CD1-CG 4.24Å; I219-L273 HydrophobicContact CG2-CD1 4.1Å; I219-L273 HydrophobicContact CG2-CD2 3.32Å; I219-L273 HydrophobicContact CG2-CG 3.86Å; I219-H277 HydrophobicContact CD1-CB 3.8Å
220	S	81.5	Confident	81.3	Confident	26 Å²	26	51 Å²	51	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-34.5	175.8	70.2	0	0	0	0	113.2	S216 K217	S216-S220 PolarHBondContact O-N 3.03Å; S216-S220 VanDerWaalsContact O-N 3.07Å; K217-S220 PolarHBondContact O-OG 3.13Å
221	C	80.4	Confident	82.1	Confident	46 Å²	46	51.1 Å²	51.1	31%	0.311	25%	0.247	S	C	.	.	H	α-helix	trans	-64.9	-42.4	172.9	-167.1	0	0	0	0	111.8	K217 E218 I219 K224 Y225	K217-C221 PolarHBondContact O-N 3.21Å; E218-C221 WeakPolarHBondContact O-CB 3.44Å; E218-C221 PolarHBondContact O-N 3Å; I219-C221 VanDerWaalsContact C-N 3.28Å; I219-C221 PolarHBondContact O-N 3.18Å; C221-K224 WeakPolarHBondContact O-CB 3.47Å; C221-K224 PolarHBondContact O-N 2.84Å; C221-Y225 WeakPolarHBondContact O-CD2 3.4Å; C221-Y225 WeakPolarHBondContact O-CE2 3.46Å
222	L	83.4	Confident	82.8	Confident	15 Å²	15	51 Å²	51	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-35.6	179.2	-68.6	170.4	0	0	0	113	E218 I219 K224 Y225 L276 V280 F306	E218-L222 WeakPolarHBondContact O-CG 3.47Å; E218-L222 PolarHBondContact O-N 3.45Å; E218-L222 VanDerWaalsContact O-N 3.13Å; I219-L222 HydrophobicContact CD1-CD1 4.39Å; I219-L222 PolarHBondContact O-N 2.9Å; I219-L222 VanDerWaalsContact O-N 3.15Å; L222-K224 PolarHBondContact O-N 2.99Å; L222-Y225 PolarHBondContact O-N 2.95Å; L222-Y225 VanDerWaalsContact O-N 3.12Å; L222-L276 HydrophobicContact CB-CD2 4.02Å; L222-L276 HydrophobicContact CD1-CD2 4.23Å; L222-L276 HydrophobicContact CD1-CG 4.18Å; L222-L276 HydrophobicContact CD2-CD2 4.43Å; L222-L276 HydrophobicContact CG-CD2 4.46Å; L222-V280 HydrophobicContact CD1-CG2 4.25Å; L222-V280 HydrophobicContact CD2-CG2 4.24Å; L222-F306 HydrophobicContact CD2-CE2 4.11Å; L222-F306 HydrophobicContact CD2-CZ 4.02Å
223	M	88.6	Confident	83.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-26.7	178.2	-72.7	-170.5	-73.5	0	0	113.2	L214 I219 Y225 W226 I232 F269 L273 V326 I331 I334 M335	L214-M223 HydrophobicContact CD2-CE 4.35Å; L214-M223 HydrophobicContact CD2-SD 4.07Å; I219-M223 HydrophobicContact CG2-CE 4.39Å; I219-M223 WeakPolarHBondContact O-CG 3.43Å; I219-M223 PolarHBondContact O-N 3.42Å; M223-Y225 PolarHBondContact O-N 3.23Å; M223-W226 WeakPolarHBondContact O-CB 3.37Å; M223-W226 PolarHBondContact O-N 3.1Å; M223-I232 HydrophobicContact CB-CD1 4.28Å; M223-I232 HydrophobicContact CG-CD1 4.13Å; M223-I232 HydrophobicContact SD-CD1 4.38Å; M223-F269 HydrophobicContact CG-CZ 4.26Å; M223-F269 HydrophobicContact SD-CE1 4.36Å; M223-F269 HydrophobicContact SD-CZ 4.16Å; M223-L273 HydrophobicContact CG-CD1 4.38Å; M223-V326 WeakPolarHBondContact O-CG2 3.33Å; M223-I331 HydrophobicContact CB-CD1 3.99Å; M223-I331 HydrophobicContact CB-CG1 4.09Å; M223-I331 HydrophobicContact CE-CG2 4.19Å; M223-I334 HydrophobicContact CE-CG2 4.35Å; M223-M335 HydrophobicContact CE-SD 4.24Å
224	K	88	Confident	83.4	Confident	64 Å²	64	51 Å²	51	28%	0.278	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.8	176.9	-65.9	-175.1	179.8	-158.3	0	113.3	C221 L222 P324 T325 V326 N328 I331	C221-K224 WeakPolarHBondContact O-CB 3.47Å; C221-K224 PolarHBondContact O-N 2.84Å; L222-K224 PolarHBondContact O-N 2.99Å; K224-P324 WeakPolarHBondContact O-CA 2.91Å; K224-T325 PolarHBondContact O-N 3.47Å; K224-V326 PolarHBondContact O-N 2.98Å; K224-V326 VanDerWaalsContact O-N 3.12Å; K224-N328 WeakPolarHBondContact CD-OD1 3.41Å; K224-N328 WeakPolarHBondContact CE-OD1 3.3Å; K224-N328 PolarHBondContact NZ-OD1 3.33Å; K224-N328 VanDerWaalsContact NZ-OD1 3.07Å; K224-I331 VanDerWaalsContact CA-CD1 3.43Å; K224-I331 HydrophobicContact CB-CD1 4.02Å; K224-I331 HydrophobicContact CG-CD1 3.4Å; K224-I331 VanDerWaalsContact CG-CD1 3.4Å; K224-I331 VanDerWaalsContact N-CD1 3.34Å
225	Y	86	Confident	83.5	Confident	22 Å²	22	51 Å²	51	9%	0.086	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	12.4	-175.1	-49.9	-75.6	0	0	0	111.8	C221 L222 M223 F298 F302 L319 Q322 P324	C221-Y225 WeakPolarHBondContact O-CD2 3.4Å; C221-Y225 WeakPolarHBondContact O-CE2 3.46Å; L222-Y225 PolarHBondContact O-N 2.95Å; L222-Y225 VanDerWaalsContact O-N 3.12Å; M223-Y225 PolarHBondContact O-N 3.23Å; Y225-F298 WeakPolarHBondContact O-CE1 3.2Å; Y225-F302 HydrophobicContact CD1-CE2 4.15Å; Y225-F302 HydrophobicContact CG-CE2 4.04Å; Y225-F302 HydrophobicContact CG-CZ 4.03Å; Y225-L319 HydrophobicContact CD2-CD2 3.66Å; Y225-L319 HydrophobicContact CE2-CB 3.89Å; Y225-L319 HydrophobicContact CE2-CD1 3.98Å; Y225-L319 HydrophobicContact CE2-CD2 3.55Å; Y225-L319 HydrophobicContact CE2-CG 4Å; Y225-L319 HydrophobicContact CG-CD2 4.23Å; Y225-L319 PolarHBondContact OH-O 3.37Å; Y225-Q322 HydrophobicContact CD1-CB 3.83Å; Y225-Q322 HydrophobicContact CE1-CB 3.66Å; Y225-P324 HydrophobicContact CE1-CG 4.36Å
226	W	89.7	Confident	83.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.			trans	-59.3	132.4	-178.1	-163.2	-98.8	0	0	0	110.9	M223 N228 E231 I232 F269 K272 L273 L276 I296 F298 T325 V326	M223-W226 WeakPolarHBondContact O-CB 3.37Å; M223-W226 PolarHBondContact O-N 3.1Å; W226-N228 VanDerWaalsContact C-N 3.26Å; W226-N228 VanDerWaalsContact CD1-O 3.29Å; W226-N228 PolarHBondContact O-N 3.15Å; W226-E231 PolarHBondContact NE1-OE2 3.34Å; W226-I232 HydrophobicContact CB-CD1 3.91Å; W226-I232 HydrophobicContact CB-CG1 3.71Å; W226-I232 HydrophobicContact CD2-CD1 4.2Å; W226-I232 HydrophobicContact CG-CD1 3.75Å; W226-I232 HydrophobicContact CG-CG1 3.71Å; W226-F269 AromaticContact CD2-CE2 3.87Å; W226-F269 HydrophobicContact CD2-CE2 3.87Å; W226-F269 AromaticContact CE2-CE2 3.53Å; W226-F269 HydrophobicContact CE3-CE2 4.21Å; W226-F269 HydrophobicContact CG-CE2 4.47Å; W226-F269 HydrophobicContact CH2-CD2 4.22Å; W226-F269 AromaticContact CH2-CE2 3.89Å; W226-F269 HydrophobicContact CH2-CE2 3.89Å; W226-F269 AromaticContact CZ2-CD2 3.71Å; W226-F269 HydrophobicContact CZ2-CD2 3.71Å; W226-F269 AromaticContact CZ2-CE2 3.55Å; W226-F269 HydrophobicContact CZ2-CE2 3.55Å; W226-F269 HydrophobicContact CZ3-CE2 4.22Å; W226-F269 AromaticContact NE1-CE2 3.98Å; W226-K272 HydrophobicContact CH2-CB 3.61Å; W226-K272 HydrophobicContact CZ2-CB 3.89Å; W226-K272 HydrophobicContact CZ2-CD 4.02Å; W226-L273 HydrophobicContact CE3-CD1 4.14Å; W226-L273 HydrophobicContact CH2-CB 4.32Å; W226-L273 HydrophobicContact CH2-CD1 4.29Å; W226-L273 HydrophobicContact CZ3-CB 4.37Å; W226-L273 HydrophobicContact CZ3-CD1 3.54Å; W226-L276 HydrophobicContact CE3-CD2 4.09Å; W226-L276 HydrophobicContact CZ3-CD2 3.69Å; W226-I296 HydrophobicContact CH2-CG2 3.91Å; W226-I296 HydrophobicContact CZ2-CG2 3.92Å; W226-I296 HydrophobicContact CZ3-CG2 4.41Å; W226-F298 HydrophobicContact CE3-CZ 4.39Å; W226-T325 VanDerWaalsContact O-CB 3.23Å; W226-T325 WeakPolarHBondContact O-CB 3.44Å; W226-T325 WeakPolarHBondContact O-CG2 3.34Å; W226-V326 HydrophobicContact CB-CG2 4.04Å
227	P	86.6	Confident	83.5	Confident	40 Å²	40	51.6 Å²	51.6	26%	0.26	26%	0.255	S	S	.	.	S	Bend	trans	-67.2	-28	-170.2	24.8	-34.5	0	0	0	112.8	I296 G297 F298	P227-I296 HydrophobicContact CG-CG2 4.18Å; P227-G297 WeakPolarHBondContact CB-O 3.31Å; P227-F298 HydrophobicContact CG-CD2 4.23Å; P227-F298 HydrophobicContact CG-CE2 4.25Å; P227-F298 HydrophobicContact CG-CG 4.39Å; P227-F298 HydrophobicContact CG-CZ 4.43Å
228	N	86.3	Confident	83.3	Confident	66 Å²	66	43.6 Å²	43.6	35%	0.353	22%	0.22	S	C	.	.			trans	-112.3	100.5	-179	-173.3	-23.9	0	0	0	112.2	W226 E230 E231 I232	W226-N228 VanDerWaalsContact C-N 3.26Å; W226-N228 VanDerWaalsContact CD1-O 3.29Å; W226-N228 PolarHBondContact O-N 3.15Å; N228-E230 VanDerWaalsContact C-N 3.28Å; N228-E230 PolarHBondContact O-N 2.89Å; N228-E230 WeakPolarHBondContact OD1-CB 3.45Å; N228-E230 PolarHBondContact OD1-N 2.9Å; N228-E231 HydrophobicContact CB-CB 3.84Å; N228-E231 WeakPolarHBondContact O-CB 3.13Å; N228-E231 PolarHBondContact O-N 3.33Å; N228-E231 PolarHBondContact OD1-N 3.49Å; N228-I232 PolarHBondContact O-N 2.89Å
229	K	83.9	Confident	83.2	Confident	121 Å²	121	37.9 Å²	37.9	53%	0.526	19%	0.193	S	C	.	.	H	α-helix	trans	-61.2	-31.9	178.6	68.1	-179.1	-179.4	179.7	0	114.1	S233	K229-S233 PolarHBondContact O-N 3.3Å; K229-S233 PolarHBondContact O-OG 3.29Å
230	E	83.7	Confident	82.8	Confident	109 Å²	109	42.2 Å²	42.2	51%	0.509	21%	0.21	S	C	.	.	H	α-helix	trans	-70.5	-37.3	179	-68.7	111.8	-146.4	0	0	110.4	N228 I232 S233 H234	N228-E230 VanDerWaalsContact C-N 3.28Å; N228-E230 PolarHBondContact O-N 2.89Å; N228-E230 WeakPolarHBondContact OD1-CB 3.45Å; N228-E230 PolarHBondContact OD1-N 2.9Å; E230-I232 PolarHBondContact O-N 3.17Å; E230-S233 WeakPolarHBondContact O-CB 3.43Å; E230-S233 PolarHBondContact O-N 3.45Å; E230-H234 PolarHBondContact O-N 3.45Å; E230-H234 PolarHBondContact O-ND1 3.04Å
231	E	83.8	Confident	81.9	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.028	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-45.5	176.8	-179.3	164	-140.2	0	0	111.9	W226 N228 S233 H234 V235 L264 F269 K272	W226-E231 PolarHBondContact NE1-OE2 3.34Å; N228-E231 HydrophobicContact CB-CB 3.84Å; N228-E231 WeakPolarHBondContact O-CB 3.13Å; N228-E231 PolarHBondContact O-N 3.33Å; N228-E231 PolarHBondContact OD1-N 3.49Å; E231-S233 VanDerWaalsContact C-N 3.34Å; E231-S233 PolarHBondContact O-N 3.35Å; E231-H234 PolarHBondContact O-N 3.31Å; E231-V235 WeakPolarHBondContact O-CG2 3.43Å; E231-V235 PolarHBondContact O-N 3.43Å; E231-V235 VanDerWaalsContact O-N 3.13Å; E231-L264 HydrophobicContact CB-CD1 4.06Å; E231-L264 HydrophobicContact CG-CD1 3.71Å; E231-L264 HydrophobicContact CG-CD2 3.56Å; E231-L264 HydrophobicContact CG-CG 4.22Å; E231-L264 WeakPolarHBondContact OE1-CD2 3.42Å; E231-F269 HydrophobicContact CG-CD2 4.02Å; E231-K272 IonicContact OE1-NZ 3.21Å; E231-K272 PolarHBondContact OE1-NZ 3.12Å; E231-K272 IonicContact OE2-NZ 3.75Å; E231-K272 PolarHBondContact OE2-NZ 2.78Å
232	I	85.7	Confident	81	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-37.2	176.3	-63.7	-73.6	0	0	0	111.8	M223 W226 N228 E230 H234 V235 L236 F269 V326 V330 I334	M223-I232 HydrophobicContact CB-CD1 4.28Å; M223-I232 HydrophobicContact CG-CD1 4.13Å; M223-I232 HydrophobicContact SD-CD1 4.38Å; W226-I232 HydrophobicContact CB-CD1 3.91Å; W226-I232 HydrophobicContact CB-CG1 3.71Å; W226-I232 HydrophobicContact CD2-CD1 4.2Å; W226-I232 HydrophobicContact CG-CD1 3.75Å; W226-I232 HydrophobicContact CG-CG1 3.71Å; N228-I232 PolarHBondContact O-N 2.89Å; E230-I232 PolarHBondContact O-N 3.17Å; I232-H234 VanDerWaalsContact C-N 3.31Å; I232-H234 PolarHBondContact O-N 3.15Å; I232-V235 WeakPolarHBondContact O-CB 3.11Å; I232-V235 PolarHBondContact O-N 2.71Å; I232-L236 PolarHBondContact O-N 2.91Å; I232-F269 HydrophobicContact CD1-CD2 4.47Å; I232-F269 HydrophobicContact CD1-CE1 4.43Å; I232-F269 HydrophobicContact CD1-CE2 3.31Å; I232-F269 HydrophobicContact CD1-CZ 3.28Å; I232-F269 HydrophobicContact CG1-CE2 4.4Å; I232-V326 HydrophobicContact CB-CG1 4.32Å; I232-V326 HydrophobicContact CB-CG2 4.45Å; I232-V326 HydrophobicContact CG1-CG2 4.06Å; I232-V326 HydrophobicContact CG2-CG1 3.87Å; I232-V330 HydrophobicContact CG2-CG1 3.84Å; I232-I334 HydrophobicContact CG2-CD1 3.54Å
233	S	82.7	Confident	80.1	Confident	57 Å²	57	46.7 Å²	46.7	40%	0.399	22%	0.218	S	C	.	.	H	α-helix	trans	-65.2	-36.9	177.5	-58.3	0	0	0	0	111.7	K229 E230 E231 L236 H237	K229-S233 PolarHBondContact O-N 3.3Å; K229-S233 PolarHBondContact O-OG 3.29Å; E230-S233 WeakPolarHBondContact O-CB 3.43Å; E230-S233 PolarHBondContact O-N 3.45Å; E231-S233 VanDerWaalsContact C-N 3.34Å; E231-S233 PolarHBondContact O-N 3.35Å; S233-L236 PolarHBondContact O-N 3.1Å; S233-H237 PolarHBondContact O-N 3.28Å; S233-H237 VanDerWaalsContact O-N 3.11Å
234	H	81.9	Confident	78.6	Confident	77 Å²	77	52.9 Å²	52.9	36%	0.356	25%	0.247	S	C	.	.	H	α-helix	trans	-65.7	-39.2	173.1	-66.4	145.7	0	0	0	112.4	E230 E231 I232 L236 H237 E238 L264	E230-H234 PolarHBondContact O-N 3.45Å; E230-H234 PolarHBondContact O-ND1 3.04Å; E231-H234 PolarHBondContact O-N 3.31Å; I232-H234 VanDerWaalsContact C-N 3.31Å; I232-H234 PolarHBondContact O-N 3.15Å; H234-L236 VanDerWaalsContact C-N 3.31Å; H234-L236 PolarHBondContact O-N 2.99Å; H234-H237 PolarHBondContact O-N 3.01Å; H234-H237 VanDerWaalsContact O-N 3.12Å; H234-E238 WeakPolarHBondContact O-CB 3.14Å; H234-E238 PolarHBondContact O-N 3.31Å; H234-L264 HydrophobicContact CB-CB 4.39Å; H234-L264 HydrophobicContact CB-CD1 4.07Å
235	V	82.7	Confident	76.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.2	-45.9	173.9	170.8	0	0	0	0	111.1	E231 I232 H237 E238 L239 L266 F269 I334	E231-V235 WeakPolarHBondContact O-CG2 3.43Å; E231-V235 PolarHBondContact O-N 3.43Å; E231-V235 VanDerWaalsContact O-N 3.13Å; I232-V235 WeakPolarHBondContact O-CB 3.11Å; I232-V235 PolarHBondContact O-N 2.71Å; V235-H237 PolarHBondContact O-N 3.04Å; V235-E238 PolarHBondContact O-N 2.98Å; V235-L239 HydrophobicContact CG1-CD1 3.92Å; V235-L239 HydrophobicContact CG1-CG 4.42Å; V235-L239 WeakPolarHBondContact O-CB 3.42Å; V235-L239 VanDerWaalsContact O-CG 3.25Å; V235-L239 WeakPolarHBondContact O-CG 3.4Å; V235-L239 PolarHBondContact O-N 2.99Å; V235-L266 HydrophobicContact CB-CD1 4.4Å; V235-L266 HydrophobicContact CG1-CD1 3.75Å; V235-L266 HydrophobicContact CG2-CD1 4.26Å; V235-F269 HydrophobicContact CG1-CD1 4.23Å; V235-F269 HydrophobicContact CG1-CE1 4.25Å; V235-F269 HydrophobicContact CG2-CB 3.89Å; V235-F269 HydrophobicContact CG2-CD1 3.51Å; V235-F269 HydrophobicContact CG2-CD2 3.86Å; V235-F269 HydrophobicContact CG2-CE1 3.95Å; V235-F269 HydrophobicContact CG2-CE2 4.29Å; V235-F269 HydrophobicContact CG2-CG 3.45Å; V235-F269 VanDerWaalsContact CG2-CG 3.45Å; V235-F269 HydrophobicContact CG2-CZ 4.34Å; V235-I334 HydrophobicContact CG1-CD1 4.27Å
236	L	83.5	Confident	75.1	Confident	17 Å²	17	56.3 Å²	56.3	9%	0.089	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-44.9	175.7	177.8	57.7	0	0	0	112.1	I232 S233 H234 L239 R240 V330 E333 I334 E337	I232-L236 PolarHBondContact O-N 2.91Å; S233-L236 PolarHBondContact O-N 3.1Å; H234-L236 VanDerWaalsContact C-N 3.31Å; H234-L236 PolarHBondContact O-N 2.99Å; L236-L239 PolarHBondContact O-N 3.37Å; L236-R240 HydrophobicContact CD1-CG 4.3Å; L236-R240 WeakPolarHBondContact O-CG 3.41Å; L236-R240 PolarHBondContact O-N 2.9Å; L236-V330 HydrophobicContact CD2-CG1 4.21Å; L236-E333 HydrophobicContact CD1-CB 3.96Å; L236-E333 HydrophobicContact CD2-CB 3.88Å; L236-I334 HydrophobicContact CB-CD1 4.26Å; L236-I334 HydrophobicContact CB-CG1 3.73Å; L236-I334 HydrophobicContact CD1-CG1 3.97Å; L236-I334 HydrophobicContact CG-CG1 4.35Å; L236-E337 HydrophobicContact CD1-CG 3.91Å
237	H	78.7	Confident	73.1	Confident	116 Å²	116	57.4 Å²	57.4	54%	0.537	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-44.3	178.9	-176.4	-84.1	0	0	0	111.6	S233 H234 V235 R240 F241	S233-H237 PolarHBondContact O-N 3.28Å; S233-H237 VanDerWaalsContact O-N 3.11Å; H234-H237 PolarHBondContact O-N 3.01Å; H234-H237 VanDerWaalsContact O-N 3.12Å; V235-H237 PolarHBondContact O-N 3.04Å; H237-R240 PolarHBondContact O-N 2.79Å; H237-F241 WeakPolarHBondContact O-CB 3.44Å; H237-F241 PolarHBondContact O-N 3.05Å
238	E	72.8	Confident	71	Confident	13 Å²	13	56.8 Å²	56.8	6%	0.061	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-43.7	175.4	-86.1	177.2	-120.1	0	0	112.1	H234 V235 R240 F241 F242 Y249 L264 L266	H234-E238 WeakPolarHBondContact O-CB 3.14Å; H234-E238 PolarHBondContact O-N 3.31Å; V235-E238 PolarHBondContact O-N 2.98Å; E238-R240 PolarHBondContact O-N 3.25Å; E238-F241 PolarHBondContact O-N 3.45Å; E238-F242 WeakPolarHBondContact O-CB 3.22Å; E238-F242 PolarHBondContact O-N 3.17Å; E238-Y249 VanDerWaalsContact C-OH 3.3Å; E238-Y249 WeakPolarHBondContact CB-OH 3.48Å; E238-Y249 PolarHBondContact O-OH 3.07Å; E238-Y249 VanDerWaalsContact O-OH 3.12Å; E238-L264 WeakPolarHBondContact OE1-CB 3.47Å; E238-L264 VanDerWaalsContact OE2-O 3.07Å; E238-L266 WeakPolarHBondContact OE2-CB 3.12Å; E238-L266 PolarHBondContact OE2-N 3.38Å
239	L	75.3	Confident	69	Low	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-42.6	175.1	-72.9	169.1	0	0	0	112.2	I211 L214 V235 L236 F242 R243 L266 I334 E337 V338 M341	I211-L239 HydrophobicContact CD1-CD2 3.93Å; L214-L239 HydrophobicContact CD1-CD1 4.26Å; L214-L239 HydrophobicContact CD1-CD2 4.44Å; V235-L239 HydrophobicContact CG1-CD1 3.92Å; V235-L239 HydrophobicContact CG1-CG 4.42Å; V235-L239 WeakPolarHBondContact O-CB 3.42Å; V235-L239 VanDerWaalsContact O-CG 3.25Å; V235-L239 WeakPolarHBondContact O-CG 3.4Å; V235-L239 PolarHBondContact O-N 2.99Å; L236-L239 PolarHBondContact O-N 3.37Å; L239-F242 WeakPolarHBondContact O-CB 3.22Å; L239-F242 PolarHBondContact O-N 3.22Å; L239-R243 PolarHBondContact O-N 3.04Å; L239-L266 HydrophobicContact CD2-CD2 4.36Å; L239-I334 HydrophobicContact CD1-CB 4.47Å; L239-I334 HydrophobicContact CD1-CG1 4.42Å; L239-I334 HydrophobicContact CD1-CG2 3.82Å; L239-E337 HydrophobicContact CB-CB 4.18Å; L239-V338 HydrophobicContact CD1-CG2 3.9Å; L239-V338 HydrophobicContact CD2-CG2 4.35Å; L239-M341 HydrophobicContact CB-CE 3.89Å; L239-M341 HydrophobicContact CD2-CE 3.79Å; L239-M341 HydrophobicContact CD2-SD 3.91Å; L239-M341 HydrophobicContact CG-CE 4.45Å; L239-M341 WeakPolarHBondContact O-CE 3.33Å
240	R	73.8	Confident	66.8	Low	92 Å²	92	53.8 Å²	53.8	35%	0.347	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-47.5	175.6	-74.7	177.9	175.7	172.7	-0.5	111.2	L236 H237 E238 F242 R243 E244 E333 E337	L236-R240 HydrophobicContact CD1-CG 4.3Å; L236-R240 WeakPolarHBondContact O-CG 3.41Å; L236-R240 PolarHBondContact O-N 2.9Å; H237-R240 PolarHBondContact O-N 2.79Å; E238-R240 PolarHBondContact O-N 3.25Å; R240-F242 VanDerWaalsContact C-N 3.3Å; R240-F242 PolarHBondContact O-N 3.48Å; R240-R243 PolarHBondContact O-N 3.3Å; R240-E244 WeakPolarHBondContact O-CB 3.49Å; R240-E244 VanDerWaalsContact O-CG 3.3Å; R240-E244 WeakPolarHBondContact O-CG 3.31Å; R240-E244 PolarHBondContact O-N 3.31Å; R240-E333 IonicContact CZ-OE2 3.63Å; R240-E333 IonicContact NH2-OE2 3.99Å; R240-E333 PolarHBondContact NH2-OE2 3.49Å; R240-E337 HydrophobicContact CG-CG 3.9Å
241	F	62.7	Low	64.5	Low	80 Å²	80	55.6 Å²	55.6	35%	0.351	28%	0.278	S	S	.	.	H	α-helix	trans	-59.7	-43.9	176.6	-173	-102.2	0	0	0	110.9	H237 E238 R243 E244 N245 F253	H237-F241 WeakPolarHBondContact O-CB 3.44Å; H237-F241 PolarHBondContact O-N 3.05Å; E238-F241 PolarHBondContact O-N 3.45Å; F241-R243 PolarHBondContact O-N 2.84Å; F241-E244 PolarHBondContact O-N 2.83Å; F241-N245 WeakPolarHBondContact CD1-ND2 3.05Å; F241-N245 WeakPolarHBondContact CE1-ND2 3.47Å; F241-N245 WeakPolarHBondContact CE2-ND2 3.38Å; F241-N245 WeakPolarHBondContact CG-ND2 3.2Å; F241-N245 WeakPolarHBondContact CZ-ND2 3.09Å; F241-N245 WeakPolarHBondContact O-CB 2.97Å; F241-N245 PolarHBondContact O-N 3.36Å; F241-N245 PolarHBondContact O-ND2 3.17Å; F241-F253 HydrophobicContact CE1-CE1 4.39Å; F241-F253 HydrophobicContact CZ-CD1 4.46Å; F241-F253 HydrophobicContact CZ-CE1 4.17Å
242	F	62.1	Low	62.2	Low	13 Å²	13	60.4 Å²	60.4	6%	0.057	30%	0.301	C	S	.	.	H	α-helix	trans	-57.8	-49.1	175.8	-179.8	-105.9	0	0	0	111.5	L133 E238 L239 R240 N245 S246 G247 Y249 M341	L133-F242 HydrophobicContact CB-CZ 4.35Å; L133-F242 HydrophobicContact CD1-CD1 4.08Å; L133-F242 HydrophobicContact CD1-CD2 4.45Å; L133-F242 HydrophobicContact CD1-CE1 3.38Å; L133-F242 HydrophobicContact CD1-CE2 3.78Å; L133-F242 HydrophobicContact CD1-CZ 3.2Å; L133-F242 HydrophobicContact CG-CE2 4.07Å; L133-F242 HydrophobicContact CG-CZ 3.91Å; E238-F242 WeakPolarHBondContact O-CB 3.22Å; E238-F242 PolarHBondContact O-N 3.17Å; L239-F242 WeakPolarHBondContact O-CB 3.22Å; L239-F242 PolarHBondContact O-N 3.22Å; R240-F242 VanDerWaalsContact C-N 3.3Å; R240-F242 PolarHBondContact O-N 3.48Å; F242-N245 CarbonylContact O-C 3.6Å; F242-N245 PolarHBondContact O-N 3.32Å; F242-S246 PolarHBondContact O-N 3.15Å; F242-G247 WeakPolarHBondContact CE2-O 3.45Å; F242-G247 WeakPolarHBondContact CZ-O 3.29Å; F242-G247 WeakPolarHBondContact O-CA 3.18Å; F242-G247 PolarHBondContact O-N 2.85Å; F242-Y249 HydrophobicContact CB-CE2 3.81Å; F242-Y249 HydrophobicContact CD1-CE2 4.43Å; F242-Y249 AromaticContact CD2-CD2 3.1Å; F242-Y249 HydrophobicContact CD2-CD2 3.1Å; F242-Y249 AromaticContact CD2-CE2 3.09Å; F242-Y249 HydrophobicContact CD2-CE2 3.09Å; F242-Y249 AromaticContact CD2-CG 3.93Å; F242-Y249 HydrophobicContact CD2-CG 3.93Å; F242-Y249 AromaticContact CD2-CZ 3.92Å; F242-Y249 AromaticContact CE2-CD2 3.32Å; F242-Y249 HydrophobicContact CE2-CD2 3.32Å; F242-Y249 AromaticContact CE2-CE2 3.63Å; F242-Y249 HydrophobicContact CE2-CE2 3.63Å; F242-Y249 HydrophobicContact CE2-CG 4.29Å; F242-Y249 HydrophobicContact CG-CD2 4.05Å; F242-Y249 AromaticContact CG-CE2 3.54Å; F242-Y249 HydrophobicContact CG-CE2 3.54Å; F242-Y249 HydrophobicContact CZ-CD2 4.43Å; F242-M341 HydrophobicContact CD1-CE 3.83Å; F242-M341 HydrophobicContact CD1-SD 3.83Å; F242-M341 HydrophobicContact CE1-SD 4.12Å
243	R	64.6	Low	59.6	Low	88 Å²	88	61 Å²	61	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-44.9	176.3	-173.1	-162.8	67.1	-163.6	-1.8	112.2	L239 R240 F241 N245 S246 E337 M341	L239-R243 PolarHBondContact O-N 3.04Å; R240-R243 PolarHBondContact O-N 3.3Å; F241-R243 PolarHBondContact O-N 2.84Å; R243-N245 PolarHBondContact O-N 2.7Å; R243-S246 PolarHBondContact O-N 3.46Å; R243-E337 WeakPolarHBondContact CD-OE2 3.42Å; R243-E337 IonicContact CZ-OE1 3.04Å; R243-E337 IonicContact CZ-OE2 2.63Å; R243-E337 IonicContact NE-OE2 2.78Å; R243-E337 PolarHBondContact NE-OE2 3.45Å; R243-E337 IonicContact NH1-OE1 3.97Å; R243-E337 PolarHBondContact NH1-OE1 3.45Å; R243-E337 IonicContact NH1-OE2 3.11Å; R243-E337 PolarHBondContact NH1-OE2 3.21Å; R243-M341 HydrophobicContact CB-CE 4.06Å
244	E	56.9	Low	57.1	Low	130 Å²	130	65.3 Å²	65.3	61%	0.607	32%	0.315	S	S	*	.	H	α-helix	trans	-61.7	-28.3	177.6	-75.1	170.5	-170.1	0	0	112	R240 F241 S246	R240-E244 WeakPolarHBondContact O-CB 3.49Å; R240-E244 VanDerWaalsContact O-CG 3.3Å; R240-E244 WeakPolarHBondContact O-CG 3.31Å; R240-E244 PolarHBondContact O-N 3.31Å; F241-E244 PolarHBondContact O-N 2.83Å; E244-S246 VanDerWaalsContact C-N 3.29Å; E244-S246 PolarHBondContact O-N 3.08Å
245	N	49.2	Very low	54.5	Low	42 Å²	42	69 Å²	69	23%	0.225	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	24.9	171.6	-67.1	-65.2	0	0	0	113.3	F241 F242 R243 G247 C248	F241-N245 WeakPolarHBondContact CD1-ND2 3.05Å; F241-N245 WeakPolarHBondContact CE1-ND2 3.47Å; F241-N245 WeakPolarHBondContact CE2-ND2 3.38Å; F241-N245 WeakPolarHBondContact CG-ND2 3.2Å; F241-N245 WeakPolarHBondContact CZ-ND2 3.09Å; F241-N245 WeakPolarHBondContact O-CB 2.97Å; F241-N245 PolarHBondContact O-N 3.36Å; F241-N245 PolarHBondContact O-ND2 3.17Å; F242-N245 CarbonylContact O-C 3.6Å; F242-N245 PolarHBondContact O-N 3.32Å; R243-N245 PolarHBondContact O-N 2.7Å; N245-G247 PolarHBondContact O-N 2.91Å; N245-G247 VanDerWaalsContact O-N 3.17Å; N245-C248 PolarHBondContact O-N 2.63Å
246	S	50.1	Low	52.1	Low	115 Å²	115	72.5 Å²	72.5	80%	0.804	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	32.7	178.8	-57.5	0	0	0	0	114.2	F242 R243 E244	F242-S246 PolarHBondContact O-N 3.15Å; R243-S246 PolarHBondContact O-N 3.46Å; E244-S246 VanDerWaalsContact C-N 3.29Å; E244-S246 PolarHBondContact O-N 3.08Å
247	G	47.9	Very low	49.6	Very low	23 Å²	23	74.8 Å²	74.8	24%	0.237	36%	0.363	C	S	.	.	S	Bend	trans	79.7	40.2	176.7	0	0	0	0	0	115	F242 N245	F242-G247 WeakPolarHBondContact CE2-O 3.45Å; F242-G247 WeakPolarHBondContact CZ-O 3.29Å; F242-G247 WeakPolarHBondContact O-CA 3.18Å; F242-G247 PolarHBondContact O-N 2.85Å; N245-G247 PolarHBondContact O-N 2.91Å; N245-G247 VanDerWaalsContact O-N 3.17Å
248	C	42.9	Very low	47.1	Very low	27 Å²	27	72 Å²	72	18%	0.182	37%	0.366	C	S	.	.			trans	-122.8	123.1	178.9	-65.7	0	0	0	0	112.5	N245	N245-C248 PolarHBondContact O-N 2.63Å
249	Y	43.4	Very low	44.8	Very low	44 Å²	44	79.6 Å²	79.6	17%	0.173	40%	0.399	C	S	.	.			trans	-101.7	116	161	-78.3	-82.1	0	0	0	107.9	A132 L133 E238 F242 L266	A132-Y249 HydrophobicContact CB-CG 4.46Å; L133-Y249 HydrophobicContact CD1-CE2 4.26Å; L133-Y249 HydrophobicContact CD2-CD2 4.47Å; L133-Y249 HydrophobicContact CD2-CE2 4.24Å; L133-Y249 HydrophobicContact CG-CD2 3.96Å; L133-Y249 HydrophobicContact CG-CE2 3.99Å; E238-Y249 VanDerWaalsContact C-OH 3.3Å; E238-Y249 WeakPolarHBondContact CB-OH 3.48Å; E238-Y249 PolarHBondContact O-OH 3.07Å; E238-Y249 VanDerWaalsContact O-OH 3.12Å; F242-Y249 HydrophobicContact CB-CE2 3.81Å; F242-Y249 HydrophobicContact CD1-CE2 4.43Å; F242-Y249 AromaticContact CD2-CD2 3.1Å; F242-Y249 HydrophobicContact CD2-CD2 3.1Å; F242-Y249 AromaticContact CD2-CE2 3.09Å; F242-Y249 HydrophobicContact CD2-CE2 3.09Å; F242-Y249 AromaticContact CD2-CG 3.93Å; F242-Y249 HydrophobicContact CD2-CG 3.93Å; F242-Y249 AromaticContact CD2-CZ 3.92Å; F242-Y249 AromaticContact CE2-CD2 3.32Å; F242-Y249 HydrophobicContact CE2-CD2 3.32Å; F242-Y249 AromaticContact CE2-CE2 3.63Å; F242-Y249 HydrophobicContact CE2-CE2 3.63Å; F242-Y249 HydrophobicContact CE2-CG 4.29Å; F242-Y249 HydrophobicContact CG-CD2 4.05Å; F242-Y249 AromaticContact CG-CE2 3.54Å; F242-Y249 HydrophobicContact CG-CE2 3.54Å; F242-Y249 HydrophobicContact CZ-CD2 4.43Å; Y249-L266 HydrophobicContact CE2-CD2 3.95Å
250	H	38.4	Very low	42.8	Very low	81 Å²	81	82.8 Å²	82.8	38%	0.375	42%	0.419	S	S	.	.			trans	-101.8	119.1	174.6	-76.5	-82.9	0	0	0	109.3	E252 F253	H250-E252 PolarHBondContact O-N 3.46Å; H250-F253 HydrophobicContact CB-CB 4.02Å; H250-F253 HydrophobicContact CB-CD2 3.14Å; H250-F253 HydrophobicContact CB-CE2 3.72Å; H250-F253 HydrophobicContact CB-CG 3.82Å; H250-F253 AromaticContact CD2-CD2 3.62Å; H250-F253 AromaticContact CD2-CE2 3.14Å; H250-F253 WeakPolarHBondContact CD2-CE2 3.3Å; H250-F253 AromaticContact CD2-CZ 3.98Å; H250-F253 AromaticContact CG-CD2 3.52Å; H250-F253 AromaticContact CG-CE2 3.56Å; H250-F253 AromaticContact NE2-CE2 3.98Å; H250-F253 WeakPolarHBondContact O-CB 3.26Å; H250-F253 PolarHBondContact O-N 2.83Å
251	E	36	Very low	40.9	Very low	146 Å²	146	86.2 Å²	86.2	68%	0.682	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.8	169.6	-70.8	-174.3	160.3	0	0	111.4	R135 F253	R135-E251 IonicContact NH2-OE1 3.75Å; E251-F253 PolarHBondContact O-N 3.03Å
252	E	34.3	Very low	39.7	Very low	107 Å²	107	92.2 Å²	92.2	50%	0.5	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	5.8	179.5	-59.4	-169.6	165.7	0	0	114.5	H250 K254 F255	H250-E252 PolarHBondContact O-N 3.46Å; E252-K254 PolarHBondContact O-N 2.93Å; E252-F255 PolarHBondContact O-N 3.3Å
253	F	32.7	Very low	38.8	Very low	13 Å²	13	93.6 Å²	93.6	6%	0.057	48%	0.479	C	S	.	.	H	α-helix	trans	-64.7	-12.6	-177.4	-115	-134.2	0	0	0	115.1	F241 H250 E251 F255 L256 T257	F241-F253 HydrophobicContact CE1-CE1 4.39Å; F241-F253 HydrophobicContact CZ-CD1 4.46Å; F241-F253 HydrophobicContact CZ-CE1 4.17Å; H250-F253 HydrophobicContact CB-CB 4.02Å; H250-F253 HydrophobicContact CB-CD2 3.14Å; H250-F253 HydrophobicContact CB-CE2 3.72Å; H250-F253 HydrophobicContact CB-CG 3.82Å; H250-F253 AromaticContact CD2-CD2 3.62Å; H250-F253 AromaticContact CD2-CE2 3.14Å; H250-F253 WeakPolarHBondContact CD2-CE2 3.3Å; H250-F253 AromaticContact CD2-CZ 3.98Å; H250-F253 AromaticContact CG-CD2 3.52Å; H250-F253 AromaticContact CG-CE2 3.56Å; H250-F253 AromaticContact NE2-CE2 3.98Å; H250-F253 WeakPolarHBondContact O-CB 3.26Å; H250-F253 PolarHBondContact O-N 2.83Å; E251-F253 PolarHBondContact O-N 3.03Å; F253-F255 PolarHBondContact O-N 3.41Å; F253-F255 VanDerWaalsContact O-N 3.15Å; F253-L256 HydrophobicContact CD2-CB 4.13Å; F253-L256 HydrophobicContact CE2-CB 4.47Å; F253-L256 PolarHBondContact O-N 3.02Å; F253-T257 HydrophobicContact CD1-CG2 3.9Å; F253-T257 WeakPolarHBondContact CD1-OG1 3.47Å; F253-T257 HydrophobicContact CE1-CG2 3.39Å; F253-T257 WeakPolarHBondContact CE1-OG1 3.27Å; F253-T257 HydrophobicContact CE2-CG2 4.39Å; F253-T257 HydrophobicContact CZ-CG2 3.7Å; F253-T257 PolarHBondContact O-N 2.91Å
254	K	28.4	Very low	38	Very low	148 Å²	148	91.3 Å²	91.3	64%	0.643	47%	0.473	S	S	*	.	I	π-helix	trans	-55.6	-28.9	167.5	-78.9	-176	179.7	179.6	0	111.7	E252 P260	E252-K254 PolarHBondContact O-N 2.93Å; K254-P260 HydrophobicContact CG-CG 4.26Å
255	F	28.3	Very low	38.2	Very low	155 Å²	155	92.8 Å²	92.8	68%	0.68	48%	0.478	S	S	*	.	I	π-helix	trans	-93.8	-22.2	179.6	-59.7	-76.8	0	0	0	114.1	E252 F253	E252-F255 PolarHBondContact O-N 3.3Å; F253-F255 PolarHBondContact O-N 3.41Å; F253-F255 VanDerWaalsContact O-N 3.15Å
256	L	31.6	Very low	39	Very low	72 Å²	72	91.2 Å²	91.2	38%	0.377	47%	0.469	S	S	.	.	I	π-helix	trans	-107.3	-23	-166	-67.4	173.4	0	0	0	116.3	F253	F253-L256 HydrophobicContact CD2-CB 4.13Å; F253-L256 HydrophobicContact CE2-CB 4.47Å; F253-L256 PolarHBondContact O-N 3.02Å
257	T	30.9	Very low	39.8	Very low	66 Å²	66	87.5 Å²	87.5	41%	0.405	44%	0.439	S	S	.	.	I	π-helix	trans	-137.2	12.1	175.1	65	0	0	0	0	114.9	Y58 F253	Y58-T257 HydrophobicContact CE1-CG2 4.03Å; F253-T257 HydrophobicContact CD1-CG2 3.9Å; F253-T257 WeakPolarHBondContact CD1-OG1 3.47Å; F253-T257 HydrophobicContact CE1-CG2 3.39Å; F253-T257 WeakPolarHBondContact CE1-OG1 3.27Å; F253-T257 HydrophobicContact CE2-CG2 4.39Å; F253-T257 HydrophobicContact CZ-CG2 3.7Å; F253-T257 PolarHBondContact O-N 2.91Å
258	G	26.4	Very low	41	Very low	57 Å²	57	88.7 Å²	88.7	59%	0.588	44%	0.444	S	S	*	.	I	π-helix	trans	74.5	100.9	-177	0	0	0	0	0	110.7
259	K	24.8	Very low	42.7	Very low	173 Å²	173	87.4 Å²	87.4	75%	0.752	44%	0.435	S	S	*	.			trans	37	103.7	169.8	-66.1	-174	179.1	-175.7	0	115.8	H261	K259-H261 PolarHBondContact O-N 3.07Å; K259-H261 VanDerWaalsContact O-N 3.16Å
260	P	33.2	Very low	44.3	Very low	66 Å²	66	86.6 Å²	86.6	43%	0.429	43%	0.433	S	S	.	.			trans	-54.2	127.9	152.1	23.9	-30.7	0	0	0	107	K254	K254-P260 HydrophobicContact CG-CG 4.26Å
261	H	34.5	Very low	46.2	Very low	165 Å²	165	86.8 Å²	86.8	76%	0.764	44%	0.436	S	S	*	.			trans	-49.1	149.6	172.2	-98.6	-39.3	0	0	0	108.2	K259 S263	K259-H261 PolarHBondContact O-N 3.07Å; K259-H261 VanDerWaalsContact O-N 3.16Å; H261-S263 PolarHBondContact O-N 2.84Å; H261-S263 PolarHBondContact O-OG 3.08Å
262	E	37.6	Very low	48.5	Very low	206 Å²	206	82.7 Å²	82.7	96%	0.963	42%	0.416	S	S	*	.	S	Bend	trans	-62	14.4	178.6	-66.1	177.3	155.1	0	0	113.6
263	S	42.1	Very low	50.8	Low	41 Å²	41	77.7 Å²	77.7	29%	0.287	39%	0.393	S	S	.	.			trans	-61.4	129.2	173.8	49.2	0	0	0	0	110.4	H261	H261-S263 PolarHBondContact O-N 2.84Å; H261-S263 PolarHBondContact O-OG 3.08Å
264	L	48.1	Very low	53.1	Low	40 Å²	40	78 Å²	78	21%	0.209	40%	0.396	C	S	.	.			trans	8.9	135.6	163.6	-102.7	109.2	0	0	0	118.4	E231 H234 E238 L266 F269	E231-L264 HydrophobicContact CB-CD1 4.06Å; E231-L264 HydrophobicContact CG-CD1 3.71Å; E231-L264 HydrophobicContact CG-CD2 3.56Å; E231-L264 HydrophobicContact CG-CG 4.22Å; E231-L264 WeakPolarHBondContact OE1-CD2 3.42Å; H234-L264 HydrophobicContact CB-CB 4.39Å; H234-L264 HydrophobicContact CB-CD1 4.07Å; E238-L264 WeakPolarHBondContact OE1-CB 3.47Å; E238-L264 VanDerWaalsContact OE2-O 3.07Å; L264-L266 PolarHBondContact O-N 3.26Å; L264-F269 HydrophobicContact CD2-CB 3.85Å
265	K	61.5	Low	55.6	Low	162 Å²	162	72.4 Å²	72.4	70%	0.704	38%	0.377	S	S	*	.			trans	-79.7	115.8	157.1	-61.4	-177.1	-178.8	-175.3	0	105.2	Q267 S268 F269	K265-Q267 HydrophobicContact CB-CB 4.19Å; K265-Q267 CarbonylContact O-C 3.35Å; K265-Q267 PolarHBondContact O-N 2.83Å; K265-S268 WeakPolarHBondContact O-CA 3.5Å; K265-S268 WeakPolarHBondContact O-CB 3.36Å; K265-S268 PolarHBondContact O-N 2.69Å; K265-F269 PolarHBondContact O-N 3.4Å
266	L	66.9	Low	58.1	Low	8 Å²	8	65.3 Å²	65.3	4%	0.042	35%	0.346	C	S	.	.	H	α-helix	trans	-42	-31.8	165.7	-170.5	66.6	0	0	0	112.4	L133 I210 V235 E238 L239 Y249 L264 F269 F270	L133-L266 HydrophobicContact CD2-CD2 3.73Å; I210-L266 HydrophobicContact CD1-CD2 4.47Å; I210-L266 HydrophobicContact CD1-CG 4.34Å; I210-L266 HydrophobicContact CG2-CD1 4.46Å; I210-L266 HydrophobicContact CG2-CD2 3.93Å; I210-L266 HydrophobicContact CG2-CG 3.92Å; V235-L266 HydrophobicContact CB-CD1 4.4Å; V235-L266 HydrophobicContact CG1-CD1 3.75Å; V235-L266 HydrophobicContact CG2-CD1 4.26Å; E238-L266 WeakPolarHBondContact OE2-CB 3.12Å; E238-L266 PolarHBondContact OE2-N 3.38Å; L239-L266 HydrophobicContact CD2-CD2 4.36Å; Y249-L266 HydrophobicContact CE2-CD2 3.95Å; L264-L266 PolarHBondContact O-N 3.26Å; L266-F269 PolarHBondContact O-N 3.25Å; L266-F270 WeakPolarHBondContact O-CB 3.49Å; L266-F270 PolarHBondContact O-N 2.81Å
267	Q	65.6	Low	60.3	Low	38 Å²	38	64.1 Å²	64.1	18%	0.178	34%	0.339	C	S	.	.	H	α-helix	trans	-57.3	-47.1	169.6	-171.1	64.6	49.7	0	0	114	K265 F269 F270 D271	K265-Q267 HydrophobicContact CB-CB 4.19Å; K265-Q267 CarbonylContact O-C 3.35Å; K265-Q267 PolarHBondContact O-N 2.83Å; Q267-F269 VanDerWaalsContact C-N 3.3Å; Q267-F269 PolarHBondContact O-N 2.81Å; Q267-F270 CarbonylContact O-C 3.45Å; Q267-F270 WeakPolarHBondContact O-CB 3.05Å; Q267-F270 PolarHBondContact O-N 3.42Å; Q267-D271 PolarHBondContact NE2-OD1 3.42Å; Q267-D271 WeakPolarHBondContact O-CB 3.43Å; Q267-D271 PolarHBondContact O-N 3.46Å
268	S	72.5	Confident	62.5	Low	47 Å²	47	68.9 Å²	68.9	33%	0.329	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-40.7	177.5	-178.9	0	0	0	0	111.2	K265 D271 K272	K265-S268 WeakPolarHBondContact O-CA 3.5Å; K265-S268 WeakPolarHBondContact O-CB 3.36Å; K265-S268 PolarHBondContact O-N 2.69Å; S268-D271 PolarHBondContact O-N 3.21Å; S268-K272 WeakPolarHBondContact O-CB 3.43Å; S268-K272 VanDerWaalsContact O-CG 3.27Å; S268-K272 WeakPolarHBondContact O-CG 3.43Å; S268-K272 PolarHBondContact O-N 3.33Å
269	F	79.9	Confident	64.7	Low	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-46.4	173.2	-179.1	-105.6	0	0	0	111.1	L214 M223 W226 E231 I232 V235 L264 K265 L266 Q267 D271 K272 L273	L214-F269 HydrophobicContact CD2-CE1 4.06Å; M223-F269 HydrophobicContact CG-CZ 4.26Å; M223-F269 HydrophobicContact SD-CE1 4.36Å; M223-F269 HydrophobicContact SD-CZ 4.16Å; W226-F269 AromaticContact CD2-CE2 3.87Å; W226-F269 HydrophobicContact CD2-CE2 3.87Å; W226-F269 AromaticContact CE2-CE2 3.53Å; W226-F269 HydrophobicContact CE3-CE2 4.21Å; W226-F269 HydrophobicContact CG-CE2 4.47Å; W226-F269 HydrophobicContact CH2-CD2 4.22Å; W226-F269 AromaticContact CH2-CE2 3.89Å; W226-F269 HydrophobicContact CH2-CE2 3.89Å; W226-F269 AromaticContact CZ2-CD2 3.71Å; W226-F269 HydrophobicContact CZ2-CD2 3.71Å; W226-F269 AromaticContact CZ2-CE2 3.55Å; W226-F269 HydrophobicContact CZ2-CE2 3.55Å; W226-F269 HydrophobicContact CZ3-CE2 4.22Å; W226-F269 AromaticContact NE1-CE2 3.98Å; E231-F269 HydrophobicContact CG-CD2 4.02Å; I232-F269 HydrophobicContact CD1-CD2 4.47Å; I232-F269 HydrophobicContact CD1-CE1 4.43Å; I232-F269 HydrophobicContact CD1-CE2 3.31Å; I232-F269 HydrophobicContact CD1-CZ 3.28Å; I232-F269 HydrophobicContact CG1-CE2 4.4Å; V235-F269 HydrophobicContact CG1-CD1 4.23Å; V235-F269 HydrophobicContact CG1-CE1 4.25Å; V235-F269 HydrophobicContact CG2-CB 3.89Å; V235-F269 HydrophobicContact CG2-CD1 3.51Å; V235-F269 HydrophobicContact CG2-CD2 3.86Å; V235-F269 HydrophobicContact CG2-CE1 3.95Å; V235-F269 HydrophobicContact CG2-CE2 4.29Å; V235-F269 HydrophobicContact CG2-CG 3.45Å; V235-F269 VanDerWaalsContact CG2-CG 3.45Å; V235-F269 HydrophobicContact CG2-CZ 4.34Å; L264-F269 HydrophobicContact CD2-CB 3.85Å; K265-F269 PolarHBondContact O-N 3.4Å; L266-F269 PolarHBondContact O-N 3.25Å; Q267-F269 VanDerWaalsContact C-N 3.3Å; Q267-F269 PolarHBondContact O-N 2.81Å; F269-D271 PolarHBondContact O-N 3.44Å; F269-K272 PolarHBondContact O-N 3.45Å; F269-L273 HydrophobicContact CD1-CD2 4.36Å; F269-L273 HydrophobicContact CE1-CD2 3.62Å; F269-L273 HydrophobicContact CZ-CD1 4.28Å; F269-L273 HydrophobicContact CZ-CD2 4.02Å; F269-L273 WeakPolarHBondContact O-CB 3.37Å; F269-L273 PolarHBondContact O-N 3.02Å
270	F	77.1	Confident	66.8	Low	28 Å²	28	59 Å²	59	12%	0.123	29%	0.294	C	S	.	.	H	α-helix	trans	-57.5	-45.3	175	169.8	-93.9	0	0	0	112.5	H209 I210 L213 L266 Q267 L273 T274	H209-F270 HydrophobicContact CB-CZ 4.46Å; H209-F270 AromaticContact CD2-CD2 3.97Å; H209-F270 AromaticContact CD2-CE1 3.51Å; H209-F270 AromaticContact CD2-CE2 3.46Å; H209-F270 VanDerWaalsContact CD2-CE2 3.46Å; H209-F270 WeakPolarHBondContact CD2-CE2 3.2Å; H209-F270 AromaticContact CD2-CZ 3.21Å; H209-F270 WeakPolarHBondContact CD2-CZ 3.5Å; H209-F270 AromaticContact NE2-CE1 3.82Å; I210-F270 HydrophobicContact CB-CD2 4.06Å; I210-F270 HydrophobicContact CB-CG 4.49Å; I210-F270 HydrophobicContact CD1-CB 3.88Å; I210-F270 HydrophobicContact CD1-CG 4.13Å; I210-F270 HydrophobicContact CG1-CB 3.93Å; I210-F270 HydrophobicContact CG1-CD1 4.39Å; I210-F270 HydrophobicContact CG1-CD2 3.69Å; I210-F270 HydrophobicContact CG1-CE2 4.33Å; I210-F270 HydrophobicContact CG1-CG 3.72Å; I210-F270 HydrophobicContact CG2-CB 4.26Å; I210-F270 HydrophobicContact CG2-CD2 4.27Å; L213-F270 HydrophobicContact CB-CD2 4.18Å; L213-F270 HydrophobicContact CB-CE2 3.87Å; L213-F270 HydrophobicContact CD2-CD2 3.43Å; L213-F270 VanDerWaalsContact CD2-CD2 3.43Å; L213-F270 HydrophobicContact CD2-CE2 3.49Å; L213-F270 VanDerWaalsContact CD2-CE2 3.49Å; L213-F270 HydrophobicContact CD2-CG 4.46Å; L213-F270 HydrophobicContact CG-CD2 4.43Å; L213-F270 HydrophobicContact CG-CE2 4.23Å; L266-F270 WeakPolarHBondContact O-CB 3.49Å; L266-F270 PolarHBondContact O-N 2.81Å; Q267-F270 CarbonylContact O-C 3.45Å; Q267-F270 WeakPolarHBondContact O-CB 3.05Å; Q267-F270 PolarHBondContact O-N 3.42Å; F270-L273 PolarHBondContact O-N 2.89Å; F270-T274 WeakPolarHBondContact CE2-OG1 3.27Å; F270-T274 VanDerWaalsContact CZ-OG1 3.23Å; F270-T274 WeakPolarHBondContact CZ-OG1 3.45Å; F270-T274 VanDerWaalsContact O-CB 3.25Å; F270-T274 WeakPolarHBondContact O-CB 3.23Å; F270-T274 PolarHBondContact O-N 2.77Å; F270-T274 PolarHBondContact O-OG1 3.1Å
271	D	77	Confident	68.6	Low	85 Å²	85	57.7 Å²	57.7	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-45.3	-179.6	-66.3	-23.6	0	0	0	110.1	Q267 S268 F269 T274 A275	Q267-D271 PolarHBondContact NE2-OD1 3.42Å; Q267-D271 WeakPolarHBondContact O-CB 3.43Å; Q267-D271 PolarHBondContact O-N 3.46Å; S268-D271 PolarHBondContact O-N 3.21Å; F269-D271 PolarHBondContact O-N 3.44Å; D271-T274 PolarHBondContact O-N 3.12Å; D271-A275 VanDerWaalsContact O-CB 3.23Å; D271-A275 WeakPolarHBondContact O-CB 3.41Å; D271-A275 PolarHBondContact O-N 2.97Å
272	K	84.8	Confident	70.4	Confident	60 Å²	60	53.9 Å²	53.9	26%	0.261	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-43.7	175.1	-69.9	175.2	-178.5	-179.4	0	111.7	W226 E231 S268 F269 A275 L276 I296	W226-K272 HydrophobicContact CH2-CB 3.61Å; W226-K272 HydrophobicContact CZ2-CB 3.89Å; W226-K272 HydrophobicContact CZ2-CD 4.02Å; E231-K272 IonicContact OE1-NZ 3.21Å; E231-K272 PolarHBondContact OE1-NZ 3.12Å; E231-K272 IonicContact OE2-NZ 3.75Å; E231-K272 PolarHBondContact OE2-NZ 2.78Å; S268-K272 WeakPolarHBondContact O-CB 3.43Å; S268-K272 VanDerWaalsContact O-CG 3.27Å; S268-K272 WeakPolarHBondContact O-CG 3.43Å; S268-K272 PolarHBondContact O-N 3.33Å; F269-K272 PolarHBondContact O-N 3.45Å; K272-A275 PolarHBondContact O-N 3.2Å; K272-L276 WeakPolarHBondContact O-CB 3.35Å; K272-L276 PolarHBondContact O-N 3.23Å; K272-I296 HydrophobicContact CB-CD1 4.4Å; K272-I296 HydrophobicContact CB-CG1 4.11Å; K272-I296 HydrophobicContact CG-CG1 4.21Å; K272-I296 WeakPolarHBondContact O-CD1 3.33Å
273	L	83.6	Confident	71.6	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-69.4	-37.1	-178.1	-167.3	65	0	0	0	111.6	L213 L214 I219 M223 W226 F269 F270 L276 H277	L213-L273 HydrophobicContact CD2-CB 4.12Å; L213-L273 HydrophobicContact CD2-CD2 3.84Å; L213-L273 HydrophobicContact CD2-CG 4.02Å; L213-L273 HydrophobicContact CG-CD2 4.38Å; L214-L273 HydrophobicContact CD2-CD2 3.89Å; I219-L273 HydrophobicContact CD1-CG 4.24Å; I219-L273 HydrophobicContact CG2-CD1 4.1Å; I219-L273 HydrophobicContact CG2-CD2 3.32Å; I219-L273 HydrophobicContact CG2-CG 3.86Å; M223-L273 HydrophobicContact CG-CD1 4.38Å; W226-L273 HydrophobicContact CE3-CD1 4.14Å; W226-L273 HydrophobicContact CH2-CB 4.32Å; W226-L273 HydrophobicContact CH2-CD1 4.29Å; W226-L273 HydrophobicContact CZ3-CB 4.37Å; W226-L273 HydrophobicContact CZ3-CD1 3.54Å; F269-L273 HydrophobicContact CD1-CD2 4.36Å; F269-L273 HydrophobicContact CE1-CD2 3.62Å; F269-L273 HydrophobicContact CZ-CD1 4.28Å; F269-L273 HydrophobicContact CZ-CD2 4.02Å; F269-L273 WeakPolarHBondContact O-CB 3.37Å; F269-L273 PolarHBondContact O-N 3.02Å; F270-L273 PolarHBondContact O-N 2.89Å; L273-L276 HydrophobicContact CD1-CD2 4.34Å; L273-L276 PolarHBondContact O-N 3.28Å; L273-H277 WeakPolarHBondContact O-CB 3.2Å; L273-H277 PolarHBondContact O-N 2.82Å
274	T	80.7	Confident	72.7	Confident	21 Å²	21	48 Å²	48	13%	0.129	27%	0.265	C	S	.	.	H	α-helix	trans	-66.7	-42.8	172.2	-61	0	0	0	0	110.8	L213 F270 D271 H277 R278	L213-T274 WeakPolarHBondContact CD2-OG1 3.43Å; F270-T274 WeakPolarHBondContact CE2-OG1 3.27Å; F270-T274 VanDerWaalsContact CZ-OG1 3.23Å; F270-T274 WeakPolarHBondContact CZ-OG1 3.45Å; F270-T274 VanDerWaalsContact O-CB 3.25Å; F270-T274 WeakPolarHBondContact O-CB 3.23Å; F270-T274 PolarHBondContact O-N 2.77Å; F270-T274 PolarHBondContact O-OG1 3.1Å; D271-T274 PolarHBondContact O-N 3.12Å; T274-H277 PolarHBondContact O-N 2.81Å; T274-R278 HydrophobicContact CG2-CG 4.47Å; T274-R278 WeakPolarHBondContact O-CB 3.43Å; T274-R278 WeakPolarHBondContact O-CG 3.49Å; T274-R278 PolarHBondContact O-N 2.9Å
275	A	80.9	Confident	73.5	Confident	30 Å²	30	51 Å²	51	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-42.1	176.7	0	0	0	0	0	111.3	D271 K272 R278 A279 T292 I296	D271-A275 VanDerWaalsContact O-CB 3.23Å; D271-A275 WeakPolarHBondContact O-CB 3.41Å; D271-A275 PolarHBondContact O-N 2.97Å; K272-A275 PolarHBondContact O-N 3.2Å; A275-R278 PolarHBondContact O-N 3.47Å; A275-A279 VanDerWaalsContact O-CB 3.24Å; A275-A279 WeakPolarHBondContact O-CB 3.25Å; A275-A279 PolarHBondContact O-N 3.15Å; A275-T292 HydrophobicContact CB-CG2 3.61Å; A275-I296 HydrophobicContact CB-CD1 4.48Å
276	L	80.3	Confident	73.5	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-56.9	-54.1	169.3	173.8	60.8	0	0	0	110.1	L222 W226 K272 L273 R278 A279 V280 L293 I296 F298	L222-L276 HydrophobicContact CB-CD2 4.02Å; L222-L276 HydrophobicContact CD1-CD2 4.23Å; L222-L276 HydrophobicContact CD1-CG 4.18Å; L222-L276 HydrophobicContact CD2-CD2 4.43Å; L222-L276 HydrophobicContact CG-CD2 4.46Å; W226-L276 HydrophobicContact CE3-CD2 4.09Å; W226-L276 HydrophobicContact CZ3-CD2 3.69Å; K272-L276 WeakPolarHBondContact O-CB 3.35Å; K272-L276 PolarHBondContact O-N 3.23Å; L273-L276 HydrophobicContact CD1-CD2 4.34Å; L273-L276 PolarHBondContact O-N 3.28Å; L276-R278 VanDerWaalsContact C-N 3.31Å; L276-R278 PolarHBondContact O-N 2.69Å; L276-A279 PolarHBondContact O-N 3.27Å; L276-V280 HydrophobicContact CD1-CG2 3.78Å; L276-V280 HydrophobicContact CG-CG2 4.15Å; L276-V280 WeakPolarHBondContact O-CB 3.36Å; L276-V280 WeakPolarHBondContact O-CG2 3.38Å; L276-V280 PolarHBondContact O-N 3.38Å; L276-L293 HydrophobicContact CB-CD2 4.49Å; L276-L293 HydrophobicContact CD1-CD2 3.23Å; L276-L293 HydrophobicContact CG-CD2 4.43Å; L276-I296 HydrophobicContact CB-CD1 4.1Å; L276-F298 HydrophobicContact CD1-CE2 4.04Å; L276-F298 HydrophobicContact CD1-CZ 4.25Å; L276-F298 HydrophobicContact CD2-CE2 4.04Å; L276-F298 HydrophobicContact CD2-CZ 3.88Å
277	H	78.8	Confident	73.6	Confident	48 Å²	48	53.5 Å²	53.5	22%	0.222	30%	0.295	C	S	.	.	H	α-helix	trans	-59.1	-37.1	179.8	-174.6	-96.8	0	0	0	113.2	E218 I219 L273 T274 V280 A281	E218-H277 IonicContact OE2-CD2 2.82Å; E218-H277 IonicContact OE2-CE1 2.75Å; E218-H277 IonicContact OE2-NE2 3.82Å; E218-H277 PolarHBondContact OE2-NE2 3.36Å; I219-H277 HydrophobicContact CD1-CB 3.8Å; L273-H277 WeakPolarHBondContact O-CB 3.2Å; L273-H277 PolarHBondContact O-N 2.82Å; T274-H277 PolarHBondContact O-N 2.81Å; H277-V280 WeakPolarHBondContact O-CB 3.49Å; H277-A281 VanDerWaalsContact O-CB 3.23Å; H277-A281 WeakPolarHBondContact O-CB 3.23Å; H277-A281 PolarHBondContact O-N 2.85Å
278	R	76.9	Confident	73.9	Confident	165 Å²	165	55.1 Å²	55.1	62%	0.623	31%	0.31	S	S	*	.	H	α-helix	trans	-70.6	-42.8	175	-74.7	179.3	-174.3	178.6	3.7	112.8	T274 A275 L276 V280 A281 N282	T274-R278 HydrophobicContact CG2-CG 4.47Å; T274-R278 WeakPolarHBondContact O-CB 3.43Å; T274-R278 WeakPolarHBondContact O-CG 3.49Å; T274-R278 PolarHBondContact O-N 2.9Å; A275-R278 PolarHBondContact O-N 3.47Å; L276-R278 VanDerWaalsContact C-N 3.31Å; L276-R278 PolarHBondContact O-N 2.69Å; R278-V280 PolarHBondContact O-N 3.1Å; R278-A281 PolarHBondContact O-N 3.38Å; R278-N282 PolarHBondContact O-N 3.01Å; R278-N282 PolarHBondContact O-ND2 3.07Å
279	A	72.5	Confident	73.9	Confident	11 Å²	11	53.2 Å²	53.2	9%	0.091	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-37.9	176.2	0	0	0	0	0	111.1	A275 L276 S289 L293	A275-A279 VanDerWaalsContact O-CB 3.24Å; A275-A279 WeakPolarHBondContact O-CB 3.25Å; A275-A279 PolarHBondContact O-N 3.15Å; L276-A279 PolarHBondContact O-N 3.27Å; A279-S289 WeakPolarHBondContact CA-OG 3.39Å; A279-L293 HydrophobicContact CB-CD2 4.39Å; A279-L293 HydrophobicContact CB-CG 4.37Å
280	V	69	Low	73.7	Confident	13 Å²	13	56.5 Å²	56.5	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-64.3	168.2	167.5	0	0	0	0	107.2	L222 L276 H277 R278 N282 F306 R310	L222-V280 HydrophobicContact CD1-CG2 4.25Å; L222-V280 HydrophobicContact CD2-CG2 4.24Å; L276-V280 HydrophobicContact CD1-CG2 3.78Å; L276-V280 HydrophobicContact CG-CG2 4.15Å; L276-V280 WeakPolarHBondContact O-CB 3.36Å; L276-V280 WeakPolarHBondContact O-CG2 3.38Å; L276-V280 PolarHBondContact O-N 3.38Å; H277-V280 WeakPolarHBondContact O-CB 3.49Å; R278-V280 PolarHBondContact O-N 3.1Å; V280-N282 VanDerWaalsContact C-N 3.32Å; V280-N282 PolarHBondContact O-N 3.02Å; V280-N282 VanDerWaalsContact O-N 3.15Å; V280-F306 HydrophobicContact CB-CE1 4.17Å; V280-F306 HydrophobicContact CB-CZ 4.42Å; V280-F306 HydrophobicContact CG1-CE1 4.24Å; V280-F306 HydrophobicContact CG1-CZ 4.07Å; V280-F306 HydrophobicContact CG2-CE1 3.47Å; V280-F306 VanDerWaalsContact CG2-CE1 3.47Å; V280-F306 HydrophobicContact CG2-CZ 3.69Å; V280-R310 WeakPolarHBondContact O-CD 3.37Å; V280-R310 PolarHBondContact O-NE 3.09Å; V280-R310 PolarHBondContact O-NH1 3.43Å; V280-R310 PolarHBondContact O-NH2 3.22Å
281	A	70.9	Confident	73.8	Confident	38 Å²	38	61 Å²	61	31%	0.314	33%	0.333	S	S	.	.	H	α-helix	trans	-51.8	-38.1	-175.8	0	0	0	0	0	115.8	H277 R278 P283 R310	H277-A281 VanDerWaalsContact O-CB 3.23Å; H277-A281 WeakPolarHBondContact O-CB 3.23Å; H277-A281 PolarHBondContact O-N 2.85Å; R278-A281 PolarHBondContact O-N 3.38Å; A281-P283 WeakPolarHBondContact O-CD 3.21Å; A281-R310 VanDerWaalsContact CA-NH2 3.27Å
282	N	72.4	Confident	74	Confident	84 Å²	84	59.2 Å²	59.2	45%	0.449	33%	0.325	S	S	.	.			trans	-118.3	80.2	-168.7	-63.5	-70.4	0	0	0	113	R278 V280 G284 L285	R278-N282 PolarHBondContact O-N 3.01Å; R278-N282 PolarHBondContact O-ND2 3.07Å; V280-N282 VanDerWaalsContact C-N 3.32Å; V280-N282 PolarHBondContact O-N 3.02Å; V280-N282 VanDerWaalsContact O-N 3.15Å; N282-G284 PolarHBondContact O-N 3.19Å; N282-G284 VanDerWaalsContact O-N 3.13Å; N282-L285 HydrophobicContact CB-CD1 4.34Å; N282-L285 PolarHBondContact O-N 2.98Å
283	P	61.8	Low	73.8	Confident	47 Å²	47	56.7 Å²	56.7	31%	0.305	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15	-176.5	26	-34.2	0	0	0	114.3	A281 L285 K311	A281-P283 WeakPolarHBondContact O-CD 3.21Å; P283-L285 PolarHBondContact O-N 3.44Å; P283-K311 HydrophobicContact CB-CG 4.31Å
284	G	66.1	Low	73.8	Confident	76 Å²	76	63.4 Å²	63.4	78%	0.784	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.1	177.1	0	0	0	0	0	114.1	N282 W286	N282-G284 PolarHBondContact O-N 3.19Å; N282-G284 VanDerWaalsContact O-N 3.13Å; G284-W286 PolarHBondContact O-N 3.31Å
285	L	64	Low	73.9	Confident	104 Å²	104	68.9 Å²	68.9	55%	0.545	37%	0.372	S	S	.	.			trans	-99.7	44.5	-177.1	-63.1	173.6	0	0	0	112.3	N282 P283 V287 C288 S289	N282-L285 HydrophobicContact CB-CD1 4.34Å; N282-L285 PolarHBondContact O-N 2.98Å; P283-L285 PolarHBondContact O-N 3.44Å; L285-V287 PolarHBondContact O-N 3.1Å; L285-C288 HydrophobicContact CB-CB 4.4Å; L285-C288 PolarHBondContact O-N 3.16Å; L285-C288 VanDerWaalsContact O-N 3.12Å; L285-S289 PolarHBondContact O-N 3.16Å; L285-S289 PolarHBondContact O-OG 3.42Å
286	W	62.6	Low	74.2	Confident	134 Å²	134	68.2 Å²	68.2	51%	0.508	36%	0.364	S	S	.	.	H	α-helix	trans	-49.6	-47.1	-168	180	58	0	0	0	115	G284 K290	G284-W286 PolarHBondContact O-N 3.31Å; W286-K290 WeakPolarHBondContact O-CB 3.46Å; W286-K290 PolarHBondContact O-N 3.36Å
287	V	69.3	Low	74.5	Confident	88 Å²	88	70.2 Å²	70.2	53%	0.533	39%	0.386	S	S	.	.	H	α-helix	trans	-65.5	-47.7	-178.9	-179.1	0	0	0	0	110.8	L285 S289 K290 E291	L285-V287 PolarHBondContact O-N 3.1Å; V287-S289 PolarHBondContact O-N 3.09Å; V287-K290 PolarHBondContact O-N 3.16Å; V287-E291 PolarHBondContact O-N 2.82Å; V287-E291 VanDerWaalsContact O-N 3.17Å
288	C	71.2	Confident	74.8	Confident	73 Å²	73	68.7 Å²	68.7	49%	0.493	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-41.3	179.1	-56.3	0	0	0	0	112	L285 T292	L285-C288 HydrophobicContact CB-CB 4.4Å; L285-C288 PolarHBondContact O-N 3.16Å; L285-C288 VanDerWaalsContact O-N 3.12Å; C288-T292 WeakPolarHBondContact O-CB 3.4Å; C288-T292 PolarHBondContact O-N 3.5Å; C288-T292 PolarHBondContact O-OG1 3.49Å
289	S	73	Confident	75.1	Confident	7 Å²	7	65.5 Å²	65.5	5%	0.049	37%	0.374	C	S	.	.	H	α-helix	trans	-63.5	-42.8	177	-66.9	0	0	0	0	111.5	A279 L285 V287 T292 L293	A279-S289 WeakPolarHBondContact CA-OG 3.39Å; L285-S289 PolarHBondContact O-N 3.16Å; L285-S289 PolarHBondContact O-OG 3.42Å; V287-S289 PolarHBondContact O-N 3.09Å; S289-T292 PolarHBondContact O-N 3.2Å; S289-L293 WeakPolarHBondContact O-CB 3.41Å; S289-L293 WeakPolarHBondContact O-CG 3.38Å; S289-L293 PolarHBondContact O-N 3.35Å
290	K	74.4	Confident	75.6	Confident	68 Å²	68	70.8 Å²	70.8	30%	0.296	40%	0.397	S	S	.	.	H	α-helix	trans	-62	-47.6	179.4	-172.9	-178.7	-179.8	-177.1	0	111.9	W286 V287 T292 L293 K294 E300	W286-K290 WeakPolarHBondContact O-CB 3.46Å; W286-K290 PolarHBondContact O-N 3.36Å; V287-K290 PolarHBondContact O-N 3.16Å; K290-T292 VanDerWaalsContact C-N 3.35Å; K290-L293 PolarHBondContact O-N 3.1Å; K290-K294 WeakPolarHBondContact O-CB 3.35Å; K290-K294 PolarHBondContact O-N 3.41Å; K290-E300 VanDerWaalsContact CE-OE1 3.31Å; K290-E300 WeakPolarHBondContact CE-OE1 3.45Å; K290-E300 IonicContact NZ-OE1 2.68Å; K290-E300 PolarHBondContact NZ-OE1 3.45Å
291	E	80.5	Confident	76.2	Confident	124 Å²	124	78.2 Å²	78.2	58%	0.579	43%	0.431	S	S	*	.	H	α-helix	trans	-63.6	-41.9	177.7	-72.4	-178.2	169	0	0	111.9	V287 L293 K294 N295	V287-E291 PolarHBondContact O-N 2.82Å; V287-E291 VanDerWaalsContact O-N 3.17Å; E291-L293 PolarHBondContact O-N 3.31Å; E291-K294 PolarHBondContact O-N 3.41Å; E291-N295 WeakPolarHBondContact O-CB 3.45Å; E291-N295 PolarHBondContact O-N 3.49Å; E291-N295 PolarHBondContact O-ND2 2.88Å
292	T	80.9	Confident	76.9	Confident	47 Å²	47	77.5 Å²	77.5	29%	0.288	42%	0.421	S	S	.	.	H	α-helix	trans	-58.9	-49.6	177.1	-60.7	0	0	0	0	111.6	A275 C288 S289 K290 K294 N295 I296	A275-T292 HydrophobicContact CB-CG2 3.61Å; C288-T292 WeakPolarHBondContact O-CB 3.4Å; C288-T292 PolarHBondContact O-N 3.5Å; C288-T292 PolarHBondContact O-OG1 3.49Å; S289-T292 PolarHBondContact O-N 3.2Å; K290-T292 VanDerWaalsContact C-N 3.35Å; T292-K294 PolarHBondContact O-N 3.17Å; T292-N295 PolarHBondContact O-N 2.83Å; T292-I296 HydrophobicContact CG2-CD1 4.21Å; T292-I296 WeakPolarHBondContact O-CG1 3.43Å; T292-I296 PolarHBondContact O-N 2.96Å; T292-I296 VanDerWaalsContact O-N 3.09Å
293	L	80	Confident	77.3	Confident	6 Å²	6	73.7 Å²	73.7	3%	0.031	40%	0.4	C	S	.	.	H	α-helix	trans	-66.4	-37.9	-179.4	-67.5	175.3	0	0	0	112.1	L276 A279 S289 K290 E291 N295 I296 G297 F298 M303 I307	L276-L293 HydrophobicContact CB-CD2 4.49Å; L276-L293 HydrophobicContact CD1-CD2 3.23Å; L276-L293 HydrophobicContact CG-CD2 4.43Å; A279-L293 HydrophobicContact CB-CD2 4.39Å; A279-L293 HydrophobicContact CB-CG 4.37Å; S289-L293 WeakPolarHBondContact O-CB 3.41Å; S289-L293 WeakPolarHBondContact O-CG 3.38Å; S289-L293 PolarHBondContact O-N 3.35Å; K290-L293 PolarHBondContact O-N 3.1Å; E291-L293 PolarHBondContact O-N 3.31Å; L293-N295 VanDerWaalsContact C-N 3.31Å; L293-N295 PolarHBondContact O-N 3.3Å; L293-I296 HydrophobicContact CD2-CD1 4.45Å; L293-I296 PolarHBondContact O-N 3.01Å; L293-I296 VanDerWaalsContact O-N 3.16Å; L293-G297 PolarHBondContact O-N 3.13Å; L293-G297 VanDerWaalsContact O-N 3.16Å; L293-F298 HydrophobicContact CB-CD2 4.48Å; L293-F298 HydrophobicContact CD2-CD2 4.16Å; L293-F298 HydrophobicContact CD2-CE2 4.41Å; L293-F298 PolarHBondContact O-N 2.89Å; L293-F298 VanDerWaalsContact O-N 3.16Å; L293-M303 VanDerWaalsContact C-SD 3.58Å; L293-M303 HydrophobicContact CB-CG 3.68Å; L293-M303 HydrophobicContact CB-SD 3.23Å; L293-M303 WeakPolarHBondContact CB-SD 3.36Å; L293-M303 HydrophobicContact CD1-CB 4.41Å; L293-M303 HydrophobicContact CD1-CG 4Å; L293-M303 HydrophobicContact CD1-SD 4.4Å; L293-M303 HydrophobicContact CG-CG 4.48Å; L293-M303 HydrophobicContact CG-SD 4.44Å; L293-I307 HydrophobicContact CD1-CD1 4.34Å
294	K	83.2	Confident	78.1	Confident	143 Å²	143	77.5 Å²	77.5	62%	0.622	41%	0.412	S	S	*	.	H	α-helix	trans	-61	-41.7	173.7	-171.4	178.3	178.3	179.4	0	111.2	K290 E291 T292 I296 G297 M303	K290-K294 WeakPolarHBondContact O-CB 3.35Å; K290-K294 PolarHBondContact O-N 3.41Å; E291-K294 PolarHBondContact O-N 3.41Å; T292-K294 PolarHBondContact O-N 3.17Å; K294-I296 VanDerWaalsContact C-N 3.28Å; K294-I296 PolarHBondContact O-N 3.24Å; K294-G297 PolarHBondContact O-N 3.36Å; K294-G297 VanDerWaalsContact O-N 3.1Å; K294-M303 HydrophobicContact CB-CE 3.99Å; K294-M303 HydrophobicContact CB-SD 4.18Å; K294-M303 HydrophobicContact CG-CE 4.45Å; K294-M303 PolarHBondContact N-SD 2.82Å
295	N	84.4	Confident	78.9	Confident	136 Å²	136	74.8 Å²	74.8	73%	0.727	38%	0.384	S	S	*	.	H	α-helix	trans	-68.4	-25.5	177.2	-68.6	-19.4	0	0	0	113.1	E291 T292 L293 G297	E291-N295 WeakPolarHBondContact O-CB 3.45Å; E291-N295 PolarHBondContact O-N 3.49Å; E291-N295 PolarHBondContact O-ND2 2.88Å; T292-N295 PolarHBondContact O-N 2.83Å; L293-N295 VanDerWaalsContact C-N 3.31Å; L293-N295 PolarHBondContact O-N 3.3Å; N295-G297 VanDerWaalsContact C-N 3.31Å
296	I	85.8	Confident	79.8	Confident	15 Å²	15	70.2 Å²	70.2	8%	0.077	36%	0.36	C	S	.	.	H	α-helix	trans	-75	-25.5	172.4	-64.8	164.7	0	0	0	111.1	W226 P227 K272 A275 L276 T292 L293 K294 F298	W226-I296 HydrophobicContact CH2-CG2 3.91Å; W226-I296 HydrophobicContact CZ2-CG2 3.92Å; W226-I296 HydrophobicContact CZ3-CG2 4.41Å; P227-I296 HydrophobicContact CG-CG2 4.18Å; K272-I296 HydrophobicContact CB-CD1 4.4Å; K272-I296 HydrophobicContact CB-CG1 4.11Å; K272-I296 HydrophobicContact CG-CG1 4.21Å; K272-I296 WeakPolarHBondContact O-CD1 3.33Å; A275-I296 HydrophobicContact CB-CD1 4.48Å; L276-I296 HydrophobicContact CB-CD1 4.1Å; T292-I296 HydrophobicContact CG2-CD1 4.21Å; T292-I296 WeakPolarHBondContact O-CG1 3.43Å; T292-I296 PolarHBondContact O-N 2.96Å; T292-I296 VanDerWaalsContact O-N 3.09Å; L293-I296 HydrophobicContact CD2-CD1 4.45Å; L293-I296 PolarHBondContact O-N 3.01Å; L293-I296 VanDerWaalsContact O-N 3.16Å; K294-I296 VanDerWaalsContact C-N 3.28Å; K294-I296 PolarHBondContact O-N 3.24Å; I296-F298 HydrophobicContact CB-CD2 4.06Å; I296-F298 HydrophobicContact CB-CE2 4.26Å; I296-F298 HydrophobicContact CG2-CD2 3.84Å; I296-F298 HydrophobicContact CG2-CE2 3.61Å
297	G	86.3	Confident	80.4	Confident	48 Å²	48	64.6 Å²	64.6	50%	0.495	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.2	11.6	177.5	0	0	0	0	0	114.5	P227 L293 K294 N295	P227-G297 WeakPolarHBondContact CB-O 3.31Å; L293-G297 PolarHBondContact O-N 3.13Å; L293-G297 VanDerWaalsContact O-N 3.16Å; K294-G297 PolarHBondContact O-N 3.36Å; K294-G297 VanDerWaalsContact O-N 3.1Å; N295-G297 VanDerWaalsContact C-N 3.31Å
298	F	85.3	Confident	80.9	Confident	15 Å²	15	65.6 Å²	65.6	7%	0.066	34%	0.338	C	S	.	.			trans	-71.4	139.8	172.1	-70.8	-84.9	0	0	0	110.7	Y225 W226 P227 L276 L293 I296 F302 M303	Y225-F298 WeakPolarHBondContact O-CE1 3.2Å; W226-F298 HydrophobicContact CE3-CZ 4.39Å; P227-F298 HydrophobicContact CG-CD2 4.23Å; P227-F298 HydrophobicContact CG-CE2 4.25Å; P227-F298 HydrophobicContact CG-CG 4.39Å; P227-F298 HydrophobicContact CG-CZ 4.43Å; L276-F298 HydrophobicContact CD1-CE2 4.04Å; L276-F298 HydrophobicContact CD1-CZ 4.25Å; L276-F298 HydrophobicContact CD2-CE2 4.04Å; L276-F298 HydrophobicContact CD2-CZ 3.88Å; L293-F298 HydrophobicContact CB-CD2 4.48Å; L293-F298 HydrophobicContact CD2-CD2 4.16Å; L293-F298 HydrophobicContact CD2-CE2 4.41Å; L293-F298 PolarHBondContact O-N 2.89Å; L293-F298 VanDerWaalsContact O-N 3.16Å; I296-F298 HydrophobicContact CB-CD2 4.06Å; I296-F298 HydrophobicContact CB-CE2 4.26Å; I296-F298 HydrophobicContact CG2-CD2 3.84Å; I296-F298 HydrophobicContact CG2-CE2 3.61Å; F298-F302 HydrophobicContact CB-CD1 4.45Å; F298-F302 AromaticContact CD1-CD1 3.48Å; F298-F302 HydrophobicContact CD1-CD1 3.48Å; F298-F302 VanDerWaalsContact CD1-CD1 3.48Å; F298-F302 AromaticContact CD1-CE1 3.52Å; F298-F302 HydrophobicContact CD1-CE1 3.52Å; F298-F302 HydrophobicContact CD1-CG 4.32Å; F298-F302 HydrophobicContact CD1-CZ 4.37Å; F298-F302 HydrophobicContact CE1-CD1 4.05Å; F298-F302 AromaticContact CE1-CE1 3.58Å; F298-F302 HydrophobicContact CE1-CE1 3.58Å; F298-F302 HydrophobicContact CE1-CZ 4.15Å; F298-F302 HydrophobicContact CG-CD1 4.28Å; F298-M303 HydrophobicContact CB-CG 3.72Å; F298-M303 HydrophobicContact CB-SD 4.27Å; F298-M303 WeakPolarHBondContact O-CE 3.29Å
299	D	84	Confident	81.3	Confident	99 Å²	99	62.7 Å²	62.7	53%	0.529	32%	0.319	S	S	.	.			trans	-73	160.4	175.8	69.2	54.5	0	0	0	112.5	E301 F302 M303	D299-E301 VanDerWaalsContact C-N 3.29Å; D299-E301 PolarHBondContact O-N 2.9Å; D299-E301 PolarHBondContact OD1-N 3.25Å; D299-F302 WeakPolarHBondContact OD1-CB 3.23Å; D299-F302 PolarHBondContact OD1-N 3.23Å; D299-M303 WeakPolarHBondContact O-CB 3.33Å; D299-M303 WeakPolarHBondContact O-CE 3.37Å; D299-M303 WeakPolarHBondContact O-CG 3.36Å; D299-M303 PolarHBondContact O-N 3.32Å; D299-M303 VanDerWaalsContact O-N 3.07Å
300	E	81.9	Confident	81.4	Confident	121 Å²	121	66.2 Å²	66.2	57%	0.565	33%	0.331	S	S	*	.	H	α-helix	trans	-67.3	-29.7	-172.3	-167.9	166	-166.7	0	0	113.6	K290 M303 K304	K290-E300 VanDerWaalsContact CE-OE1 3.31Å; K290-E300 WeakPolarHBondContact CE-OE1 3.45Å; K290-E300 IonicContact NZ-OE1 2.68Å; K290-E300 PolarHBondContact NZ-OE1 3.45Å; E300-M303 HydrophobicContact CB-CE 4.21Å; E300-K304 VanDerWaalsContact O-CB 3.31Å; E300-K304 WeakPolarHBondContact O-CB 3.41Å; E300-K304 PolarHBondContact O-N 2.95Å
301	E	83.4	Confident	81.5	Confident	169 Å²	169	69.4 Å²	69.4	79%	0.79	35%	0.345	S	S	*	.	H	α-helix	trans	-73.9	-47.8	-179.5	-170.1	174	178.7	0	0	111.1	D299 M303 K304 G305	D299-E301 VanDerWaalsContact C-N 3.29Å; D299-E301 PolarHBondContact O-N 2.9Å; D299-E301 PolarHBondContact OD1-N 3.25Å; E301-M303 VanDerWaalsContact C-N 3.35Å; E301-M303 PolarHBondContact O-N 3.49Å; E301-K304 PolarHBondContact O-N 3.29Å; E301-G305 PolarHBondContact O-N 2.74Å
302	F	85.1	Confident	81.6	Confident	23 Å²	23	65.9 Å²	65.9	10%	0.101	34%	0.337	C	S	.	.	H	α-helix	trans	-58.1	-47.8	174	-177	-85	0	0	0	110.6	Y225 F298 D299 K304 G305 F306 F318 L319 Q322	Y225-F302 HydrophobicContact CD1-CE2 4.15Å; Y225-F302 HydrophobicContact CG-CE2 4.04Å; Y225-F302 HydrophobicContact CG-CZ 4.03Å; F298-F302 HydrophobicContact CB-CD1 4.45Å; F298-F302 AromaticContact CD1-CD1 3.48Å; F298-F302 HydrophobicContact CD1-CD1 3.48Å; F298-F302 VanDerWaalsContact CD1-CD1 3.48Å; F298-F302 AromaticContact CD1-CE1 3.52Å; F298-F302 HydrophobicContact CD1-CE1 3.52Å; F298-F302 HydrophobicContact CD1-CG 4.32Å; F298-F302 HydrophobicContact CD1-CZ 4.37Å; F298-F302 HydrophobicContact CE1-CD1 4.05Å; F298-F302 AromaticContact CE1-CE1 3.58Å; F298-F302 HydrophobicContact CE1-CE1 3.58Å; F298-F302 HydrophobicContact CE1-CZ 4.15Å; F298-F302 HydrophobicContact CG-CD1 4.28Å; D299-F302 WeakPolarHBondContact OD1-CB 3.23Å; D299-F302 PolarHBondContact OD1-N 3.23Å; F302-K304 PolarHBondContact O-N 3.36Å; F302-G305 PolarHBondContact O-N 3Å; F302-F306 HydrophobicContact CE1-CB 4.36Å; F302-F306 HydrophobicContact CE1-CD2 4.5Å; F302-F306 WeakPolarHBondContact O-CB 3.15Å; F302-F306 PolarHBondContact O-N 3.49Å; F302-F318 HydrophobicContact CD2-CE1 4.3Å; F302-F318 HydrophobicContact CD2-CZ 4.07Å; F302-F318 HydrophobicContact CE2-CE1 4.06Å; F302-F318 HydrophobicContact CE2-CZ 4.29Å; F302-F318 HydrophobicContact CG-CZ 4.39Å; F302-F318 HydrophobicContact CZ-CE1 4.26Å; F302-F318 WeakPolarHBondContact O-CZ 3.47Å; F302-L319 HydrophobicContact CZ-CD2 4.3Å; F302-Q322 HydrophobicContact CD2-CG 3.96Å; F302-Q322 HydrophobicContact CE2-CB 4.22Å; F302-Q322 HydrophobicContact CE2-CG 3.75Å
303	M	80.6	Confident	81.5	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.025	36%	0.357	C	S	.	.	H	α-helix	trans	-59	-47.4	179	-73.1	-173.2	-70.3	0	0	112.1	L293 K294 F298 D299 E300 E301 I307	L293-M303 VanDerWaalsContact C-SD 3.58Å; L293-M303 HydrophobicContact CB-CG 3.68Å; L293-M303 HydrophobicContact CB-SD 3.23Å; L293-M303 WeakPolarHBondContact CB-SD 3.36Å; L293-M303 HydrophobicContact CD1-CB 4.41Å; L293-M303 HydrophobicContact CD1-CG 4Å; L293-M303 HydrophobicContact CD1-SD 4.4Å; L293-M303 HydrophobicContact CG-CG 4.48Å; L293-M303 HydrophobicContact CG-SD 4.44Å; K294-M303 HydrophobicContact CB-CE 3.99Å; K294-M303 HydrophobicContact CB-SD 4.18Å; K294-M303 HydrophobicContact CG-CE 4.45Å; K294-M303 PolarHBondContact N-SD 2.82Å; F298-M303 HydrophobicContact CB-CG 3.72Å; F298-M303 HydrophobicContact CB-SD 4.27Å; F298-M303 WeakPolarHBondContact O-CE 3.29Å; D299-M303 WeakPolarHBondContact O-CB 3.33Å; D299-M303 WeakPolarHBondContact O-CE 3.37Å; D299-M303 WeakPolarHBondContact O-CG 3.36Å; D299-M303 PolarHBondContact O-N 3.32Å; D299-M303 VanDerWaalsContact O-N 3.07Å; E300-M303 HydrophobicContact CB-CE 4.21Å; E301-M303 VanDerWaalsContact C-N 3.35Å; E301-M303 PolarHBondContact O-N 3.49Å; M303-I307 WeakPolarHBondContact O-CD1 3.42Å; M303-I307 VanDerWaalsContact O-CG1 3.26Å; M303-I307 WeakPolarHBondContact O-CG1 3.48Å; M303-I307 PolarHBondContact O-N 3.46Å; M303-I307 VanDerWaalsContact O-N 3.12Å
304	K	78.9	Confident	81.7	Confident	127 Å²	127	73.2 Å²	73.2	55%	0.552	38%	0.38	S	S	*	.	H	α-helix	trans	-65.5	-49.4	-178.8	-174.3	178.6	175.3	-173.7	0	111.1	E300 E301 F302 F306 I307 E308	E300-K304 VanDerWaalsContact O-CB 3.31Å; E300-K304 WeakPolarHBondContact O-CB 3.41Å; E300-K304 PolarHBondContact O-N 2.95Å; E301-K304 PolarHBondContact O-N 3.29Å; F302-K304 PolarHBondContact O-N 3.36Å; K304-F306 PolarHBondContact O-N 3.36Å; K304-I307 PolarHBondContact O-N 3.07Å; K304-E308 WeakPolarHBondContact CE-OE1 3.46Å; K304-E308 WeakPolarHBondContact CG-OE1 3.2Å; K304-E308 WeakPolarHBondContact O-CB 3.46Å; K304-E308 WeakPolarHBondContact O-CG 3.36Å; K304-E308 PolarHBondContact O-N 3.46Å
305	G	83.2	Confident	81.5	Confident	18 Å²	18	68.1 Å²	68.1	19%	0.186	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-41.2	179.1	0	0	0	0	0	112.7	E301 F302 E308 S309	E301-G305 PolarHBondContact O-N 2.74Å; F302-G305 PolarHBondContact O-N 3Å; G305-E308 PolarHBondContact O-N 3.18Å; G305-S309 VanDerWaalsContact O-CB 3.23Å; G305-S309 WeakPolarHBondContact O-CB 3.33Å; G305-S309 PolarHBondContact O-N 2.85Å; G305-S309 PolarHBondContact O-OG 3.48Å
306	F	81.1	Confident	81.2	Confident	9 Å²	9	69.1 Å²	69.1	4%	0.039	36%	0.361	C	S	.	.	H	α-helix	trans	-61.6	-47.8	177.2	-176	-91.2	0	0	0	111.5	L222 V280 F302 K304 S309 R310 V315 F318 L319	L222-F306 HydrophobicContact CD2-CE2 4.11Å; L222-F306 HydrophobicContact CD2-CZ 4.02Å; V280-F306 HydrophobicContact CB-CE1 4.17Å; V280-F306 HydrophobicContact CB-CZ 4.42Å; V280-F306 HydrophobicContact CG1-CE1 4.24Å; V280-F306 HydrophobicContact CG1-CZ 4.07Å; V280-F306 HydrophobicContact CG2-CE1 3.47Å; V280-F306 VanDerWaalsContact CG2-CE1 3.47Å; V280-F306 HydrophobicContact CG2-CZ 3.69Å; F302-F306 HydrophobicContact CE1-CB 4.36Å; F302-F306 HydrophobicContact CE1-CD2 4.5Å; F302-F306 WeakPolarHBondContact O-CB 3.15Å; F302-F306 PolarHBondContact O-N 3.49Å; K304-F306 PolarHBondContact O-N 3.36Å; F306-S309 PolarHBondContact O-N 3.49Å; F306-S309 PolarHBondContact O-OG 3.19Å; F306-R310 PolarHBondContact O-N 3.3Å; F306-V315 HydrophobicContact CD2-CG1 4.42Å; F306-V315 HydrophobicContact CE2-CG1 3.68Å; F306-V315 HydrophobicContact CZ-CG1 4.1Å; F306-F318 VanDerWaalsContact CA-CE1 3.44Å; F306-F318 HydrophobicContact CB-CD1 4.08Å; F306-F318 HydrophobicContact CB-CE1 3.49Å; F306-F318 VanDerWaalsContact CB-CE1 3.49Å; F306-F318 HydrophobicContact CB-CZ 3.93Å; F306-F318 AromaticContact CD2-CD1 3.86Å; F306-F318 HydrophobicContact CD2-CD1 3.86Å; F306-F318 AromaticContact CD2-CE1 3.73Å; F306-F318 HydrophobicContact CD2-CE1 3.73Å; F306-F318 HydrophobicContact CG-CD1 4.43Å; F306-F318 HydrophobicContact CG-CE1 4.1Å; F306-F318 VanDerWaalsContact N-CZ 3.26Å; F306-L319 HydrophobicContact CD2-CD2 3.86Å; F306-L319 HydrophobicContact CE2-CD1 4.41Å; F306-L319 HydrophobicContact CE2-CD2 3.93Å; F306-L319 HydrophobicContact CE2-CG 4.38Å
307	I	75.2	Confident	81.2	Confident	15 Å²	15	73.4 Å²	73.4	8%	0.077	38%	0.381	C	S	.	.	H	α-helix	trans	-66.8	-43.6	-179.5	-67	168.1	0	0	0	111.6	L293 M303 K304 S309 R310 K311	L293-I307 HydrophobicContact CD1-CD1 4.34Å; M303-I307 WeakPolarHBondContact O-CD1 3.42Å; M303-I307 VanDerWaalsContact O-CG1 3.26Å; M303-I307 WeakPolarHBondContact O-CG1 3.48Å; M303-I307 PolarHBondContact O-N 3.46Å; M303-I307 VanDerWaalsContact O-N 3.12Å; K304-I307 PolarHBondContact O-N 3.07Å; I307-S309 VanDerWaalsContact C-N 3.35Å; I307-R310 PolarHBondContact O-N 2.89Å; I307-K311 PolarHBondContact O-N 3.43Å
308	E	79.7	Confident	81.2	Confident	110 Å²	110	72.4 Å²	72.4	51%	0.514	36%	0.363	S	S	.	.	H	α-helix	trans	-62.1	-43.3	177.1	-74.3	175.2	-177.7	0	0	111.3	K304 G305 R310 K311 A312	K304-E308 WeakPolarHBondContact CE-OE1 3.46Å; K304-E308 WeakPolarHBondContact CG-OE1 3.2Å; K304-E308 WeakPolarHBondContact O-CB 3.46Å; K304-E308 WeakPolarHBondContact O-CG 3.36Å; K304-E308 PolarHBondContact O-N 3.46Å; G305-E308 PolarHBondContact O-N 3.18Å; E308-R310 VanDerWaalsContact C-N 3.3Å; E308-R310 PolarHBondContact O-N 3.4Å; E308-K311 PolarHBondContact O-N 3.27Å; E308-A312 PolarHBondContact O-N 2.97Å; E308-A312 VanDerWaalsContact O-N 3.12Å
309	S	81.3	Confident	81.1	Confident	12 Å²	12	72.1 Å²	72.1	8%	0.084	36%	0.362	C	S	.	.	H	α-helix	trans	-61.2	-39.6	175.7	78.9	0	0	0	0	111.9	G305 F306 I307 A312 G313 R314 F318	G305-S309 VanDerWaalsContact O-CB 3.23Å; G305-S309 WeakPolarHBondContact O-CB 3.33Å; G305-S309 PolarHBondContact O-N 2.85Å; G305-S309 PolarHBondContact O-OG 3.48Å; F306-S309 PolarHBondContact O-N 3.49Å; F306-S309 PolarHBondContact O-OG 3.19Å; I307-S309 VanDerWaalsContact C-N 3.35Å; S309-A312 CarbonylContact O-C 3.54Å; S309-A312 PolarHBondContact O-N 3.44Å; S309-G313 PolarHBondContact O-N 2.81Å; S309-R314 PolarHBondContact O-N 2.88Å; S309-F318 WeakPolarHBondContact OG-CB 3.22Å
310	R	74.4	Confident	81.1	Confident	81 Å²	81	74 Å²	74	31%	0.306	37%	0.371	S	S	.	.	H	α-helix	trans	-65.5	-46.6	177.4	-164.9	-159.5	179.3	91.8	-3	112.4	V280 A281 F306 I307 E308 A312 G313 V315	V280-R310 WeakPolarHBondContact O-CD 3.37Å; V280-R310 PolarHBondContact O-NE 3.09Å; V280-R310 PolarHBondContact O-NH1 3.43Å; V280-R310 PolarHBondContact O-NH2 3.22Å; A281-R310 VanDerWaalsContact CA-NH2 3.27Å; F306-R310 PolarHBondContact O-N 3.3Å; I307-R310 PolarHBondContact O-N 2.89Å; E308-R310 VanDerWaalsContact C-N 3.3Å; E308-R310 PolarHBondContact O-N 3.4Å; R310-A312 PolarHBondContact O-N 2.81Å; R310-G313 PolarHBondContact O-N 3.28Å; R310-V315 VanDerWaalsContact CA-CG2 3.43Å; R310-V315 HydrophobicContact CB-CG2 3.68Å; R310-V315 HydrophobicContact CG-CG2 3.79Å
311	K	75.7	Confident	81.3	Confident	134 Å²	134	76 Å²	76	58%	0.583	38%	0.378	S	S	*	.	H	α-helix	trans	-57.5	-31.3	175.4	-73.2	-178.9	179.4	179.8	0	111.9	P283 I307 E308	P283-K311 HydrophobicContact CB-CG 4.31Å; I307-K311 PolarHBondContact O-N 3.43Å; E308-K311 PolarHBondContact O-N 3.27Å
312	A	82.4	Confident	81.5	Confident	50 Å²	50	70.7 Å²	70.7	41%	0.413	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	0.8	177	0	0	0	0	0	114.7	E308 S309 R310 R314	E308-A312 PolarHBondContact O-N 2.97Å; E308-A312 VanDerWaalsContact O-N 3.12Å; S309-A312 CarbonylContact O-C 3.54Å; S309-A312 PolarHBondContact O-N 3.44Å; R310-A312 PolarHBondContact O-N 2.81Å; A312-R314 VanDerWaalsContact C-N 3.27Å; A312-R314 PolarHBondContact O-N 2.95Å
313	G	80	Confident	81.5	Confident	69 Å²	69	75.5 Å²	75.5	71%	0.711	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	20.5	-176.3	0	0	0	0	0	114.9	S309 R310	S309-G313 PolarHBondContact O-N 2.81Å; R310-G313 PolarHBondContact O-N 3.28Å
314	R	84.4	Confident	81.7	Confident	139 Å²	139	78.3 Å²	78.3	53%	0.525	40%	0.403	S	S	.	.			trans	-116.7	34.1	-173	-69	-177.1	-72	174.8	-1.6	113.2	S309 A312 E316 E317 F318	S309-R314 PolarHBondContact O-N 2.88Å; A312-R314 VanDerWaalsContact C-N 3.27Å; A312-R314 PolarHBondContact O-N 2.95Å; R314-E316 VanDerWaalsContact C-N 3.35Å; R314-E316 PolarHBondContact O-N 2.75Å; R314-E317 HydrophobicContact CB-CB 4.42Å; R314-E317 WeakPolarHBondContact CD-OE2 3.46Å; R314-E317 PolarHBondContact O-N 3.38Å; R314-F318 PolarHBondContact O-N 3.08Å; R314-F318 VanDerWaalsContact O-N 3.08Å
315	V	78.5	Confident	82.2	Confident	35 Å²	35	75.5 Å²	75.5	21%	0.212	40%	0.396	C	S	.	.	H	α-helix	trans	-60.4	-44.3	-177.7	-179.4	0	0	0	0	111.4	F306 R310 E317 F318 L319	F306-V315 HydrophobicContact CD2-CG1 4.42Å; F306-V315 HydrophobicContact CE2-CG1 3.68Å; F306-V315 HydrophobicContact CZ-CG1 4.1Å; R310-V315 VanDerWaalsContact CA-CG2 3.43Å; R310-V315 HydrophobicContact CB-CG2 3.68Å; R310-V315 HydrophobicContact CG-CG2 3.79Å; V315-E317 PolarHBondContact O-N 3.2Å; V315-F318 PolarHBondContact O-N 3.45Å; V315-L319 HydrophobicContact CG1-CD1 3.78Å; V315-L319 HydrophobicContact CG1-CG 4.03Å; V315-L319 WeakPolarHBondContact O-CB 3.21Å; V315-L319 VanDerWaalsContact O-CG 3.3Å; V315-L319 WeakPolarHBondContact O-CG 3.23Å; V315-L319 PolarHBondContact O-N 3.17Å
316	E	78.7	Confident	82.4	Confident	158 Å²	158	74.9 Å²	74.9	74%	0.738	39%	0.389	S	S	*	.	H	α-helix	trans	-60.9	-45.5	-180	-66.4	-175.9	170.6	0	0	111.7	R314 F318 L319 I320	R314-E316 VanDerWaalsContact C-N 3.35Å; R314-E316 PolarHBondContact O-N 2.75Å; E316-F318 VanDerWaalsContact C-N 3.3Å; E316-F318 PolarHBondContact O-N 3.38Å; E316-L319 PolarHBondContact O-N 3.06Å; E316-I320 WeakPolarHBondContact O-CB 3.21Å; E316-I320 WeakPolarHBondContact O-CD1 3.34Å; E316-I320 WeakPolarHBondContact O-CG1 3.46Å; E316-I320 PolarHBondContact O-N 3.31Å
317	E	85.7	Confident	82.7	Confident	104 Å²	104	80 Å²	80	49%	0.486	42%	0.417	S	S	.	.	H	α-helix	trans	-61.1	-38.8	176.2	-64.7	178.9	-168.4	0	0	112.6	R314 V315 K321	R314-E317 HydrophobicContact CB-CB 4.42Å; R314-E317 WeakPolarHBondContact CD-OE2 3.46Å; R314-E317 PolarHBondContact O-N 3.38Å; V315-E317 PolarHBondContact O-N 3.2Å; E317-K321 WeakPolarHBondContact O-CG 3.14Å; E317-K321 PolarHBondContact O-N 2.98Å
318	F	86	Confident	83.3	Confident	27 Å²	27	82.7 Å²	82.7	12%	0.118	43%	0.431	C	S	.	.	H	α-helix	trans	-65.2	-50.2	175.5	167.6	-96.3	0	0	0	110.8	F302 F306 S309 R314 V315 E316 I320 K321 Q322	F302-F318 HydrophobicContact CD2-CE1 4.3Å; F302-F318 HydrophobicContact CD2-CZ 4.07Å; F302-F318 HydrophobicContact CE2-CE1 4.06Å; F302-F318 HydrophobicContact CE2-CZ 4.29Å; F302-F318 HydrophobicContact CG-CZ 4.39Å; F302-F318 HydrophobicContact CZ-CE1 4.26Å; F302-F318 WeakPolarHBondContact O-CZ 3.47Å; F306-F318 VanDerWaalsContact CA-CE1 3.44Å; F306-F318 HydrophobicContact CB-CD1 4.08Å; F306-F318 HydrophobicContact CB-CE1 3.49Å; F306-F318 VanDerWaalsContact CB-CE1 3.49Å; F306-F318 HydrophobicContact CB-CZ 3.93Å; F306-F318 AromaticContact CD2-CD1 3.86Å; F306-F318 HydrophobicContact CD2-CD1 3.86Å; F306-F318 AromaticContact CD2-CE1 3.73Å; F306-F318 HydrophobicContact CD2-CE1 3.73Å; F306-F318 HydrophobicContact CG-CD1 4.43Å; F306-F318 HydrophobicContact CG-CE1 4.1Å; F306-F318 VanDerWaalsContact N-CZ 3.26Å; S309-F318 WeakPolarHBondContact OG-CB 3.22Å; R314-F318 PolarHBondContact O-N 3.08Å; R314-F318 VanDerWaalsContact O-N 3.08Å; V315-F318 PolarHBondContact O-N 3.45Å; E316-F318 VanDerWaalsContact C-N 3.3Å; E316-F318 PolarHBondContact O-N 3.38Å; F318-I320 VanDerWaalsContact C-N 3.35Å; F318-I320 PolarHBondContact O-N 3.44Å; F318-K321 WeakPolarHBondContact O-CB 3.44Å; F318-K321 PolarHBondContact O-N 2.73Å; F318-K321 VanDerWaalsContact O-N 3.09Å; F318-Q322 HydrophobicContact CD1-CG 4.28Å; F318-Q322 HydrophobicContact CE1-CG 3.75Å; F318-Q322 HydrophobicContact CE2-CG 4.2Å; F318-Q322 HydrophobicContact CZ-CG 3.71Å; F318-Q322 WeakPolarHBondContact O-CG 3.41Å; F318-Q322 PolarHBondContact O-N 2.88Å
319	L	83.7	Confident	83.8	Confident	10 Å²	10	82.8 Å²	82.8	5%	0.052	44%	0.435	C	S	.	.	H	α-helix	trans	-62.3	-40.4	-178.1	-70.3	-177.4	0	0	0	111.9	Y225 F302 F306 V315 E316 K321 Q322	Y225-L319 HydrophobicContact CD2-CD2 3.66Å; Y225-L319 HydrophobicContact CE2-CB 3.89Å; Y225-L319 HydrophobicContact CE2-CD1 3.98Å; Y225-L319 HydrophobicContact CE2-CD2 3.55Å; Y225-L319 HydrophobicContact CE2-CG 4Å; Y225-L319 HydrophobicContact CG-CD2 4.23Å; Y225-L319 PolarHBondContact OH-O 3.37Å; F302-L319 HydrophobicContact CZ-CD2 4.3Å; F306-L319 HydrophobicContact CD2-CD2 3.86Å; F306-L319 HydrophobicContact CE2-CD1 4.41Å; F306-L319 HydrophobicContact CE2-CD2 3.93Å; F306-L319 HydrophobicContact CE2-CG 4.38Å; V315-L319 HydrophobicContact CG1-CD1 3.78Å; V315-L319 HydrophobicContact CG1-CG 4.03Å; V315-L319 WeakPolarHBondContact O-CB 3.21Å; V315-L319 VanDerWaalsContact O-CG 3.3Å; V315-L319 WeakPolarHBondContact O-CG 3.23Å; V315-L319 PolarHBondContact O-N 3.17Å; E316-L319 PolarHBondContact O-N 3.06Å; L319-K321 PolarHBondContact O-N 3.05Å; L319-Q322 WeakPolarHBondContact O-CB 3.24Å; L319-Q322 PolarHBondContact O-N 3.47Å
320	I	84.2	Confident	84.2	Confident	138 Å²	138	83.7 Å²	83.7	71%	0.708	44%	0.44	S	S	*	.	H	α-helix	trans	-60.7	-30.2	176	-69.7	163.8	0	0	0	112.1	E316 F318 Q322	E316-I320 WeakPolarHBondContact O-CB 3.21Å; E316-I320 WeakPolarHBondContact O-CD1 3.34Å; E316-I320 WeakPolarHBondContact O-CG1 3.46Å; E316-I320 PolarHBondContact O-N 3.31Å; F318-I320 VanDerWaalsContact C-N 3.35Å; F318-I320 PolarHBondContact O-N 3.44Å; I320-Q322 VanDerWaalsContact C-N 3.32Å
321	K	86.2	Confident	85	Confident	164 Å²	164	80.1 Å²	80.1	71%	0.713	43%	0.427	S	S	*	.	H	α-helix	trans	-79.9	-15.5	176.1	-68.5	171.4	-176.6	175.5	0	113	E317 F318 L319	E317-K321 WeakPolarHBondContact O-CG 3.14Å; E317-K321 PolarHBondContact O-N 2.98Å; F318-K321 WeakPolarHBondContact O-CB 3.44Å; F318-K321 PolarHBondContact O-N 2.73Å; F318-K321 VanDerWaalsContact O-N 3.09Å; L319-K321 PolarHBondContact O-N 3.05Å
322	Q	85.9	Confident	85.7	Confident	57 Å²	57	79.8 Å²	79.8	27%	0.266	43%	0.428	S	S	.	.	S	Bend	trans	-81.7	145	177.7	-59.1	-49.6	-56.7	0	0	110.4	Y225 F302 F318 L319 I320 P324	Y225-Q322 HydrophobicContact CD1-CB 3.83Å; Y225-Q322 HydrophobicContact CE1-CB 3.66Å; F302-Q322 HydrophobicContact CD2-CG 3.96Å; F302-Q322 HydrophobicContact CE2-CB 4.22Å; F302-Q322 HydrophobicContact CE2-CG 3.75Å; F318-Q322 HydrophobicContact CD1-CG 4.28Å; F318-Q322 HydrophobicContact CE1-CG 3.75Å; F318-Q322 HydrophobicContact CE2-CG 4.2Å; F318-Q322 HydrophobicContact CZ-CG 3.71Å; F318-Q322 WeakPolarHBondContact O-CG 3.41Å; F318-Q322 PolarHBondContact O-N 2.88Å; L319-Q322 WeakPolarHBondContact O-CB 3.24Å; L319-Q322 PolarHBondContact O-N 3.47Å; I320-Q322 VanDerWaalsContact C-N 3.32Å; Q322-P324 WeakPolarHBondContact O-CD 3.16Å
323	T	84.8	Confident	86.1	Confident	124 Å²	124	79.9 Å²	79.9	76%	0.761	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-79.6	122.7	169.8	-57.3	0	0	0	0	108.1	T325	T323-T325 PolarHBondContact O-N 2.91Å
324	P	86.8	Confident	86.5	Confident	63 Å²	63	76.6 Å²	76.6	41%	0.409	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-60.5	133.1	174.6	-22.9	34.1	0	0	0	111	K224 Y225 Q322	K224-P324 WeakPolarHBondContact O-CA 2.91Å; Y225-P324 HydrophobicContact CE1-CG 4.36Å; Q322-P324 WeakPolarHBondContact O-CD 3.16Å
325	T	87.7	Confident	86.7	Confident	68 Å²	68	72.4 Å²	72.4	42%	0.417	37%	0.372	S	S	.	.	S	Bend	trans	-82.3	-26.3	174.8	-42.2	0	0	0	0	111.3	K224 W226 T323	K224-T325 PolarHBondContact O-N 3.47Å; W226-T325 VanDerWaalsContact O-CB 3.23Å; W226-T325 WeakPolarHBondContact O-CB 3.44Å; W226-T325 WeakPolarHBondContact O-CG2 3.34Å; T323-T325 PolarHBondContact O-N 2.91Å
326	V	87.4	Confident	87.2	Confident	5 Å²	5	75.4 Å²	75.4	3%	0.03	38%	0.383	C	S	.	.	S	Bend	trans	-116	132.8	-174.3	-177	0	0	0	0	109.9	M223 K224 W226 I232 V330 I331	M223-V326 WeakPolarHBondContact O-CG2 3.33Å; K224-V326 PolarHBondContact O-N 2.98Å; K224-V326 VanDerWaalsContact O-N 3.12Å; W226-V326 HydrophobicContact CB-CG2 4.04Å; I232-V326 HydrophobicContact CB-CG1 4.32Å; I232-V326 HydrophobicContact CB-CG2 4.45Å; I232-V326 HydrophobicContact CG1-CG2 4.06Å; I232-V326 HydrophobicContact CG2-CG1 3.87Å; V326-V330 HydrophobicContact CG1-CB 4.3Å; V326-I331 HydrophobicContact CB-CD1 4.27Å; V326-I331 HydrophobicContact CG1-CD1 4Å; V326-I331 HydrophobicContact CG1-CG1 3.99Å
327	N	87.8	Confident	87.4	Confident	117 Å²	117	68.1 Å²	68.1	63%	0.626	35%	0.349	S	S	*	.			trans	-62.3	135.6	176.3	-68.9	-17.7	0	0	0	111.1	D329 V330	N327-D329 PolarHBondContact O-N 3.12Å; N327-V330 HydrophobicContact CB-CG2 4.28Å; N327-V330 PolarHBondContact O-N 3.25Å; N327-V330 VanDerWaalsContact O-N 3.1Å
328	N	88.9	Confident	87.2	Confident	71 Å²	71	63.2 Å²	63.2	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-55.7	-37.3	178.3	-74.1	-36.8	0	0	0	111.9	K224 V330 I331 E332	K224-N328 WeakPolarHBondContact CD-OD1 3.41Å; K224-N328 WeakPolarHBondContact CE-OD1 3.3Å; K224-N328 PolarHBondContact NZ-OD1 3.33Å; K224-N328 VanDerWaalsContact NZ-OD1 3.07Å; N328-V330 VanDerWaalsContact C-N 3.25Å; N328-V330 PolarHBondContact O-N 3.3Å; N328-I331 PolarHBondContact O-N 3.37Å; N328-E332 WeakPolarHBondContact O-CG 3.44Å; N328-E332 PolarHBondContact O-N 2.94Å
329	D	89.7	Confident	86.9	Confident	113 Å²	113	65.4 Å²	65.4	60%	0.604	34%	0.344	S	S	*	.	H	α-helix	trans	-56.6	-37.4	179.3	-56.1	-10.3	0	0	0	112.9	N327 E333	N327-D329 PolarHBondContact O-N 3.12Å; D329-E333 WeakPolarHBondContact O-CB 3.35Å; D329-E333 WeakPolarHBondContact O-CG 3.23Å; D329-E333 PolarHBondContact O-N 3.27Å
330	V	90.2	Very high	86.4	Confident	30 Å²	30	69.2 Å²	69.2	18%	0.182	36%	0.361	C	S	.	.	H	α-helix	trans	-68	-41	178.7	-179.4	0	0	0	0	110.1	I232 L236 V326 N327 N328 E333 I334	I232-V330 HydrophobicContact CG2-CG1 3.84Å; L236-V330 HydrophobicContact CD2-CG1 4.21Å; V326-V330 HydrophobicContact CG1-CB 4.3Å; N327-V330 HydrophobicContact CB-CG2 4.28Å; N327-V330 PolarHBondContact O-N 3.25Å; N327-V330 VanDerWaalsContact O-N 3.1Å; N328-V330 VanDerWaalsContact C-N 3.25Å; N328-V330 PolarHBondContact O-N 3.3Å; V330-E333 PolarHBondContact O-N 3.33Å; V330-I334 HydrophobicContact CG1-CD1 4.29Å; V330-I334 WeakPolarHBondContact O-CG1 3.47Å; V330-I334 PolarHBondContact O-N 3.13Å
331	I	89.7	Confident	85.5	Confident	7 Å²	7	64 Å²	64	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-69.6	-43.8	179.7	-64.7	166.7	0	0	0	110.2	M223 K224 V326 N328 E333 I334 M335	M223-I331 HydrophobicContact CB-CD1 3.99Å; M223-I331 HydrophobicContact CB-CG1 4.09Å; M223-I331 HydrophobicContact CE-CG2 4.19Å; K224-I331 VanDerWaalsContact CA-CD1 3.43Å; K224-I331 HydrophobicContact CB-CD1 4.02Å; K224-I331 HydrophobicContact CG-CD1 3.4Å; K224-I331 VanDerWaalsContact CG-CD1 3.4Å; K224-I331 VanDerWaalsContact N-CD1 3.34Å; V326-I331 HydrophobicContact CB-CD1 4.27Å; V326-I331 HydrophobicContact CG1-CD1 4Å; V326-I331 HydrophobicContact CG1-CG1 3.99Å; N328-I331 PolarHBondContact O-N 3.37Å; I331-E333 VanDerWaalsContact C-N 3.3Å; I331-E333 PolarHBondContact O-N 2.72Å; I331-I334 WeakPolarHBondContact O-CB 3.4Å; I331-I334 PolarHBondContact O-N 3.01Å; I331-I334 VanDerWaalsContact O-N 3.17Å; I331-M335 HydrophobicContact CG2-CG 4.45Å; I331-M335 VanDerWaalsContact O-CG 3.29Å; I331-M335 WeakPolarHBondContact O-CG 3.36Å; I331-M335 PolarHBondContact O-N 2.75Å
332	E	90.4	Very high	84	Confident	127 Å²	127	63.8 Å²	63.8	59%	0.593	35%	0.346	S	S	*	.	H	α-helix	trans	-59.4	-41.7	175.4	-72.8	-178.9	-171.5	0	0	111.7	N328 M335 K336	N328-E332 WeakPolarHBondContact O-CG 3.44Å; N328-E332 PolarHBondContact O-N 2.94Å; E332-M335 PolarHBondContact O-N 3.36Å; E332-K336 VanDerWaalsContact O-CB 3.29Å; E332-K336 WeakPolarHBondContact O-CB 3.23Å; E332-K336 PolarHBondContact O-N 3.25Å
333	E	90.6	Very high	83.9	Confident	51 Å²	51	64.1 Å²	64.1	24%	0.238	35%	0.349	C	S	.	.	H	α-helix	trans	-66.1	-39.3	174.6	-78.4	-72.7	131.4	0	0	112.1	L236 R240 D329 V330 I331 M335 K336 E337	L236-E333 HydrophobicContact CD1-CB 3.96Å; L236-E333 HydrophobicContact CD2-CB 3.88Å; R240-E333 IonicContact CZ-OE2 3.63Å; R240-E333 IonicContact NH2-OE2 3.99Å; R240-E333 PolarHBondContact NH2-OE2 3.49Å; D329-E333 WeakPolarHBondContact O-CB 3.35Å; D329-E333 WeakPolarHBondContact O-CG 3.23Å; D329-E333 PolarHBondContact O-N 3.27Å; V330-E333 PolarHBondContact O-N 3.33Å; I331-E333 VanDerWaalsContact C-N 3.3Å; I331-E333 PolarHBondContact O-N 2.72Å; E333-M335 PolarHBondContact O-N 3.15Å; E333-K336 PolarHBondContact O-N 2.88Å; E333-K336 WeakPolarHBondContact OE1-CD 3.31Å; E333-K336 IonicContact OE1-NZ 3.42Å; E333-K336 PolarHBondContact OE1-NZ 3.44Å; E333-E337 WeakPolarHBondContact O-CG 3.39Å; E333-E337 PolarHBondContact O-N 3.2Å
334	I	89	Confident	83.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-49.5	171.8	-72.9	168.4	0	0	0	110.3	M223 I232 V235 L236 L239 V330 I331 K336 E337 V338	M223-I334 HydrophobicContact CE-CG2 4.35Å; I232-I334 HydrophobicContact CG2-CD1 3.54Å; V235-I334 HydrophobicContact CG1-CD1 4.27Å; L236-I334 HydrophobicContact CB-CD1 4.26Å; L236-I334 HydrophobicContact CB-CG1 3.73Å; L236-I334 HydrophobicContact CD1-CG1 3.97Å; L236-I334 HydrophobicContact CG-CG1 4.35Å; L239-I334 HydrophobicContact CD1-CB 4.47Å; L239-I334 HydrophobicContact CD1-CG1 4.42Å; L239-I334 HydrophobicContact CD1-CG2 3.82Å; V330-I334 HydrophobicContact CG1-CD1 4.29Å; V330-I334 WeakPolarHBondContact O-CG1 3.47Å; V330-I334 PolarHBondContact O-N 3.13Å; I331-I334 WeakPolarHBondContact O-CB 3.4Å; I331-I334 PolarHBondContact O-N 3.01Å; I331-I334 VanDerWaalsContact O-N 3.17Å; I334-K336 VanDerWaalsContact C-N 3.27Å; I334-K336 PolarHBondContact O-N 3.4Å; I334-E337 PolarHBondContact O-N 3.06Å; I334-E337 VanDerWaalsContact O-N 3.15Å; I334-V338 HydrophobicContact CG2-CG2 4.21Å; I334-V338 WeakPolarHBondContact O-CB 3.33Å; I334-V338 WeakPolarHBondContact O-CG2 3.42Å; I334-V338 PolarHBondContact O-N 3.27Å
335	M	89	Confident	83.7	Confident	51 Å²	51	60.8 Å²	60.8	25%	0.251	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-39.1	-179.9	-65.6	-54.7	-66.2	0	0	111.7	L214 M223 I331 E332 E333 V338 S339	L214-M335 VanDerWaalsContact O-CE 3.3Å; L214-M335 WeakPolarHBondContact O-CE 3.32Å; M223-M335 HydrophobicContact CE-SD 4.24Å; I331-M335 HydrophobicContact CG2-CG 4.45Å; I331-M335 VanDerWaalsContact O-CG 3.29Å; I331-M335 WeakPolarHBondContact O-CG 3.36Å; I331-M335 PolarHBondContact O-N 2.75Å; E332-M335 PolarHBondContact O-N 3.36Å; E333-M335 PolarHBondContact O-N 3.15Å; M335-V338 PolarHBondContact O-N 3.12Å; M335-S339 WeakPolarHBondContact O-CB 3.26Å; M335-S339 PolarHBondContact O-N 2.79Å; M335-S339 PolarHBondContact O-OG 3.38Å
336	K	88.5	Confident	83.5	Confident	99 Å²	99	60.4 Å²	60.4	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-68.3	-35.3	176.6	178.9	-179.1	171.6	-169.2	0	112.7	E332 E333 I334 S339 K340	E332-K336 VanDerWaalsContact O-CB 3.29Å; E332-K336 WeakPolarHBondContact O-CB 3.23Å; E332-K336 PolarHBondContact O-N 3.25Å; E333-K336 PolarHBondContact O-N 2.88Å; E333-K336 WeakPolarHBondContact OE1-CD 3.31Å; E333-K336 IonicContact OE1-NZ 3.42Å; E333-K336 PolarHBondContact OE1-NZ 3.44Å; I334-K336 VanDerWaalsContact C-N 3.27Å; I334-K336 PolarHBondContact O-N 3.4Å; K336-S339 WeakPolarHBondContact CA-OG 3.42Å; K336-S339 PolarHBondContact O-OG 2.97Å; K336-K340 WeakPolarHBondContact O-CD 2.97Å; K336-K340 WeakPolarHBondContact O-CE 3.38Å; K336-K340 VanDerWaalsContact O-CG 3.28Å; K336-K340 WeakPolarHBondContact O-CG 3.31Å
337	E	83.2	Confident	83.3	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.019	34%	0.336	C	S	.	.	H	α-helix	trans	-69.7	-45.3	172.8	-69.2	-50.6	133.9	0	0	111.3	L236 L239 R240 R243 E333 I334 S339 K340 M341	L236-E337 HydrophobicContact CD1-CG 3.91Å; L239-E337 HydrophobicContact CB-CB 4.18Å; R240-E337 HydrophobicContact CG-CG 3.9Å; R243-E337 WeakPolarHBondContact CD-OE2 3.42Å; R243-E337 IonicContact CZ-OE1 3.04Å; R243-E337 IonicContact CZ-OE2 2.63Å; R243-E337 IonicContact NE-OE2 2.78Å; R243-E337 PolarHBondContact NE-OE2 3.45Å; R243-E337 IonicContact NH1-OE1 3.97Å; R243-E337 PolarHBondContact NH1-OE1 3.45Å; R243-E337 IonicContact NH1-OE2 3.11Å; R243-E337 PolarHBondContact NH1-OE2 3.21Å; E333-E337 WeakPolarHBondContact O-CG 3.39Å; E333-E337 PolarHBondContact O-N 3.2Å; I334-E337 PolarHBondContact O-N 3.06Å; I334-E337 VanDerWaalsContact O-N 3.15Å; E337-S339 VanDerWaalsContact C-N 3.3Å; E337-S339 PolarHBondContact O-N 3.22Å; E337-K340 WeakPolarHBondContact O-CB 3.05Å; E337-K340 PolarHBondContact O-N 2.68Å; E337-K340 VanDerWaalsContact O-N 3.1Å; E337-K340 IonicContact OE1-NZ 2.89Å; E337-K340 PolarHBondContact OE1-NZ 3.18Å; E337-K340 IonicContact OE2-NZ 3.95Å; E337-M341 HydrophobicContact CB-CE 4.41Å; E337-M341 WeakPolarHBondContact O-CG 3.21Å
338	V	81.2	Confident	83	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-34.9	177.2	168.2	0	0	0	0	112.4	I211 L214 R215 L239 I334 M335 K340 M341	I211-V338 HydrophobicContact CD1-CG2 4.44Å; I211-V338 HydrophobicContact CG2-CG1 3.99Å; L214-V338 HydrophobicContact CB-CG1 4.02Å; L214-V338 HydrophobicContact CB-CG2 3.79Å; L214-V338 HydrophobicContact CD1-CG2 3.82Å; L214-V338 HydrophobicContact CG-CG2 4.45Å; R215-V338 HydrophobicContact CG-CG1 3.49Å; R215-V338 VanDerWaalsContact CG-CG1 3.49Å; R215-V338 PolarHBondContact NH2-O 3.42Å; L239-V338 HydrophobicContact CD1-CG2 3.9Å; L239-V338 HydrophobicContact CD2-CG2 4.35Å; I334-V338 HydrophobicContact CG2-CG2 4.21Å; I334-V338 WeakPolarHBondContact O-CB 3.33Å; I334-V338 WeakPolarHBondContact O-CG2 3.42Å; I334-V338 PolarHBondContact O-N 3.27Å; M335-V338 PolarHBondContact O-N 3.12Å; V338-K340 VanDerWaalsContact C-N 3.29Å; V338-K340 PolarHBondContact O-N 3.31Å; V338-M341 PolarHBondContact O-N 3.03Å
339	S	79.8	Confident	82.5	Confident	73 Å²	73	59.6 Å²	59.6	51%	0.51	31%	0.312	S	S	.	.	H	α-helix	trans	-70.3	-23.5	176.7	65.1	0	0	0	0	113.7	M335 K336 E337 M341	M335-S339 WeakPolarHBondContact O-CB 3.26Å; M335-S339 PolarHBondContact O-N 2.79Å; M335-S339 PolarHBondContact O-OG 3.38Å; K336-S339 WeakPolarHBondContact CA-OG 3.42Å; K336-S339 PolarHBondContact O-OG 2.97Å; E337-S339 VanDerWaalsContact C-N 3.3Å; E337-S339 PolarHBondContact O-N 3.22Å; S339-M341 VanDerWaalsContact C-N 3.3Å
340	K	72.8	Confident	82	Confident	91 Å²	91	55.5 Å²	55.5	40%	0.396	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.5	176.7	-65.9	164.3	-170.3	171.3	0	112.9	K336 E337 V338 V342	K336-K340 WeakPolarHBondContact O-CD 2.97Å; K336-K340 WeakPolarHBondContact O-CE 3.38Å; K336-K340 VanDerWaalsContact O-CG 3.28Å; K336-K340 WeakPolarHBondContact O-CG 3.31Å; E337-K340 WeakPolarHBondContact O-CB 3.05Å; E337-K340 PolarHBondContact O-N 2.68Å; E337-K340 VanDerWaalsContact O-N 3.1Å; E337-K340 IonicContact OE1-NZ 2.89Å; E337-K340 PolarHBondContact OE1-NZ 3.18Å; E337-K340 IonicContact OE2-NZ 3.95Å; V338-K340 VanDerWaalsContact C-N 3.29Å; V338-K340 PolarHBondContact O-N 3.31Å; K340-V342 VanDerWaalsContact C-N 3.27Å; K340-V342 PolarHBondContact O-N 3.36Å
341	M	65.6	Low	81.3	Confident	29 Å²	29	57.6 Å²	57.6	14%	0.143	30%	0.298	C	S	.	.			trans	-95.5	37.6	-177.6	-60.8	173.1	-173.9	0	0	111.5	I211 R215 L239 F242 R243 E337 V338 S339	I211-M341 HydrophobicContact CD1-SD 3.51Å; I211-M341 VanDerWaalsContact CD1-SD 3.51Å; I211-M341 HydrophobicContact CG1-SD 4.44Å; I211-M341 HydrophobicContact CG2-CB 4.38Å; R215-M341 PolarHBondContact NH2-O 3.12Å; L239-M341 HydrophobicContact CB-CE 3.89Å; L239-M341 HydrophobicContact CD2-CE 3.79Å; L239-M341 HydrophobicContact CD2-SD 3.91Å; L239-M341 HydrophobicContact CG-CE 4.45Å; L239-M341 WeakPolarHBondContact O-CE 3.33Å; F242-M341 HydrophobicContact CD1-CE 3.83Å; F242-M341 HydrophobicContact CD1-SD 3.83Å; F242-M341 HydrophobicContact CE1-SD 4.12Å; R243-M341 HydrophobicContact CB-CE 4.06Å; E337-M341 HydrophobicContact CB-CE 4.41Å; E337-M341 WeakPolarHBondContact O-CG 3.21Å; V338-M341 PolarHBondContact O-N 3.03Å; S339-M341 VanDerWaalsContact C-N 3.3Å
342	V	55.9	Low	80.5	Confident	158 Å²	158	62.2 Å²	62.2	96%	0.958	32%	0.322	S	S	*	.			trans	-101.9	0	166.6	-174.7	0	0	0	0	106.4	K340	K340-V342 VanDerWaalsContact C-N 3.27Å; K340-V342 PolarHBondContact O-N 3.36Å

Retrieved 342 of 342 residues in 93.7 ms (Link to these results)

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