A0A5K4F3Q4_SCHMA Loading...

DUF2013 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3Q4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 320 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	29.5	Very low	29.1	Very low	253 Å²	253	118.6 Å²	118.6	100%	1.246	71%	0.708	S	S	*	*				0	109.1	0	-81.2	172	135.5	0	0	108.1
2	A	23.9	Very low	29.6	Very low	94 Å²	94	121.1 Å²	121.1	78%	0.777	71%	0.706	S	S	*	*			trans	-145.2	119.4	156.2	0	0	0	0	0	105.3
3	P	28.9	Very low	29.8	Very low	125 Å²	125	121.5 Å²	121.5	81%	0.812	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-65.8	134.5	-178.4	25.8	-30.1	0	0	0	110
4	G	28.7	Very low	30.2	Very low	59 Å²	59	122.9 Å²	122.9	61%	0.608	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-62.9	151.7	169.6	0	0	0	0	0	110.3	E6	G4-E6 PolarHBondContact O-N 3.28Å; G4-E6 VanDerWaalsContact O-N 3.12Å
5	P	27.7	Very low	30.7	Very low	115 Å²	115	121.1 Å²	121.1	75%	0.747	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-61.9	121.1	-163.9	25.1	-31.3	0	0	0	109.9	I7	P5-I7 PolarHBondContact O-N 3.43Å
6	E	25.9	Very low	31.5	Very low	137 Å²	137	117.6 Å²	117.6	64%	0.64	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-52.4	131.6	174.3	-64	176.1	154.8	0	0	109.9	G4 S8 N9	G4-E6 PolarHBondContact O-N 3.28Å; G4-E6 VanDerWaalsContact O-N 3.12Å; E6-S8 WeakPolarHBondContact CB-OG 3.5Å; E6-S8 PolarHBondContact O-N 3.47Å; E6-N9 PolarHBondContact O-N 3.45Å; E6-N9 VanDerWaalsContact O-N 3.08Å
7	I	31.8	Very low	32.5	Very low	148 Å²	148	118.8 Å²	118.8	76%	0.759	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-62.3	-5.7	177.5	-66.4	169.3	0	0	0	112	P5 N9 S10	P5-I7 PolarHBondContact O-N 3.43Å; I7-N9 PolarHBondContact O-N 3.13Å; I7-S10 WeakPolarHBondContact O-CB 3.34Å; I7-S10 PolarHBondContact O-N 3.02Å; I7-S10 PolarHBondContact O-OG 3.38Å
8	S	28.1	Very low	33.4	Very low	86 Å²	86	120.5 Å²	120.5	60%	0.601	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-61.6	-24.5	167.9	49.6	0	0	0	0	113.5	E6	E6-S8 WeakPolarHBondContact CB-OG 3.5Å; E6-S8 PolarHBondContact O-N 3.47Å
9	N	27.7	Very low	33.5	Very low	98 Å²	98	114.6 Å²	114.6	52%	0.524	64%	0.638	S	S	.	*	G	3₁₀ helix	trans	-93.6	7	179	-71.3	-11.9	0	0	0	114.6	E6 I7 L11 E12	E6-N9 PolarHBondContact O-N 3.45Å; E6-N9 VanDerWaalsContact O-N 3.08Å; I7-N9 PolarHBondContact O-N 3.13Å; N9-L11 PolarHBondContact O-N 3.4Å; N9-E12 PolarHBondContact O-N 2.85Å
10	S	36.3	Very low	33.9	Very low	43 Å²	43	112.2 Å²	112.2	30%	0.301	62%	0.621	S	S	.	*	H	α-helix	trans	-70.2	-27.8	-170	57.2	0	0	0	0	115.2	I7 E12 Q13	I7-S10 WeakPolarHBondContact O-CB 3.34Å; I7-S10 PolarHBondContact O-N 3.02Å; I7-S10 PolarHBondContact O-OG 3.38Å; S10-E12 VanDerWaalsContact C-N 3.3Å; S10-E12 PolarHBondContact O-N 3.15Å; S10-Q13 PolarHBondContact O-N 3.02Å
11	L	32	Very low	34.3	Very low	147 Å²	147	109.8 Å²	109.8	77%	0.77	61%	0.612	S	S	*	*	H	α-helix	trans	-65.4	-31.4	177.9	-97.7	147.5	0	0	0	113	N9	N9-L11 PolarHBondContact O-N 3.4Å
12	E	34.6	Very low	34.8	Very low	148 Å²	148	100 Å²	100	69%	0.692	57%	0.57	S	S	*	*	H	α-helix	trans	-71.7	-33.5	177.3	-68.8	-174.5	164.9	0	0	112	N9 S10 W14 N15 T16	N9-E12 PolarHBondContact O-N 2.85Å; S10-E12 VanDerWaalsContact C-N 3.3Å; S10-E12 PolarHBondContact O-N 3.15Å; E12-W14 VanDerWaalsContact C-N 3.33Å; E12-W14 PolarHBondContact O-N 3.41Å; E12-N15 WeakPolarHBondContact O-CB 3.43Å; E12-N15 PolarHBondContact O-N 2.77Å; E12-T16 PolarHBondContact O-N 2.81Å
13	Q	32.7	Very low	35.6	Very low	127 Å²	127	99.4 Å²	99.4	59%	0.593	55%	0.553	S	S	*	*	H	α-helix	trans	-64	-36.6	176.9	-76.3	-175.9	-11.1	0	0	112.4	S10 N15 T16 G19	S10-Q13 PolarHBondContact O-N 3.02Å; Q13-N15 PolarHBondContact O-N 3.25Å; Q13-T16 WeakPolarHBondContact O-CB 3.32Å; Q13-T16 PolarHBondContact O-N 3.23Å; Q13-T16 PolarHBondContact O-OG1 3.12Å; Q13-G19 WeakPolarHBondContact O-CA 3.04Å
14	W	35.5	Very low	36.1	Very low	140 Å²	140	98.5 Å²	98.5	53%	0.53	54%	0.541	S	S	.	.	H	α-helix	trans	-65.1	-23.8	173.7	-65.8	106.4	0	0	0	113	E12 G19 K20 I23	E12-W14 VanDerWaalsContact C-N 3.33Å; E12-W14 PolarHBondContact O-N 3.41Å; W14-G19 CarbonylContact O-C 3.44Å; W14-K20 PolarHBondContact O-N 3.4Å; W14-I23 HydrophobicContact CB-CD1 4.44Å; W14-I23 HydrophobicContact CD2-CD1 4.49Å; W14-I23 HydrophobicContact CE3-CD1 3.7Å; W14-I23 HydrophobicContact CE3-CG1 3.64Å; W14-I23 HydrophobicContact CZ3-CD1 4.39Å; W14-I23 HydrophobicContact CZ3-CG1 3.82Å
15	N	37.3	Very low	36.7	Very low	96 Å²	96	102.5 Å²	102.5	51%	0.513	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-5.8	178.5	-145	29.5	0	0	0	113.2	E12 Q13 K20	E12-N15 WeakPolarHBondContact O-CB 3.43Å; E12-N15 PolarHBondContact O-N 2.77Å; Q13-N15 PolarHBondContact O-N 3.25Å; N15-K20 WeakPolarHBondContact O-CE 3.37Å
16	T	43.3	Very low	37.2	Very low	66 Å²	66	102.2 Å²	102.2	41%	0.405	53%	0.529	S	S	.	.	S	Bend	trans	-73.6	158.6	169.7	68.9	0	0	0	0	110.7	E12 Q13 L18 G19 K20	E12-T16 PolarHBondContact O-N 2.81Å; Q13-T16 WeakPolarHBondContact O-CB 3.32Å; Q13-T16 PolarHBondContact O-N 3.23Å; Q13-T16 PolarHBondContact O-OG1 3.12Å; T16-L18 PolarHBondContact O-N 3.46Å; T16-G19 WeakPolarHBondContact O-CA 3.24Å; T16-G19 PolarHBondContact O-N 2.97Å; T16-G19 PolarHBondContact OG1-N 2.78Å; T16-G19 VanDerWaalsContact OG1-N 3.15Å; T16-K20 WeakPolarHBondContact O-CG 3.34Å; T16-K20 PolarHBondContact O-N 2.86Å
17	D	48.9	Very low	37.8	Very low	137 Å²	137	96.4 Å²	96.4	73%	0.733	51%	0.506	S	S	*	.	H	α-helix	trans	-56.6	-34	175.6	-63.3	-32.7	0	0	0	112.5	S21	D17-S21 WeakPolarHBondContact O-CB 3.21Å; D17-S21 PolarHBondContact O-N 3.21Å
18	L	48	Very low	38	Very low	150 Å²	150	93.8 Å²	93.8	79%	0.785	50%	0.497	S	S	*	.	H	α-helix	trans	-63.5	-45.3	172.5	-95.1	154.4	0	0	0	112.1	T16 S21 A22	T16-L18 PolarHBondContact O-N 3.46Å; L18-S21 PolarHBondContact O-N 3.33Å; L18-A22 WeakPolarHBondContact O-CB 3.4Å; L18-A22 PolarHBondContact O-N 3.45Å
19	G	36.8	Very low	38.7	Very low	8 Å²	8	94 Å²	94	8%	0.082	49%	0.488	C	S	.	.	H	α-helix	trans	-64.8	-44.2	176.1	0	0	0	0	0	112.9	Q13 W14 T16 A22 I23	Q13-G19 WeakPolarHBondContact O-CA 3.04Å; W14-G19 CarbonylContact O-C 3.44Å; T16-G19 WeakPolarHBondContact O-CA 3.24Å; T16-G19 PolarHBondContact O-N 2.97Å; T16-G19 PolarHBondContact OG1-N 2.78Å; T16-G19 VanDerWaalsContact OG1-N 3.15Å; G19-A22 PolarHBondContact O-N 3.14Å; G19-I23 WeakPolarHBondContact O-CG1 3.27Å; G19-I23 PolarHBondContact O-N 2.81Å
20	K	41.6	Very low	39.2	Very low	67 Å²	67	91.3 Å²	91.3	29%	0.291	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-43.9	175.5	-68.8	178.5	177.9	-178	0	111.2	W14 N15 T16 I23 L24 E185	W14-K20 PolarHBondContact O-N 3.4Å; N15-K20 WeakPolarHBondContact O-CE 3.37Å; T16-K20 WeakPolarHBondContact O-CG 3.34Å; T16-K20 PolarHBondContact O-N 2.86Å; K20-I23 PolarHBondContact O-N 2.99Å; K20-L24 PolarHBondContact O-N 3.38Å; K20-E185 IonicContact NZ-OE1 3.97Å; K20-E185 PolarHBondContact NZ-OE1 2.94Å
21	S	41.3	Very low	39.2	Very low	62 Å²	62	91.2 Å²	91.2	43%	0.434	47%	0.47	S	S	.	.	H	α-helix	trans	-64.2	-41.6	176.7	-173.8	0	0	0	0	112.7	D17 L18 I23 L24 Q25	D17-S21 WeakPolarHBondContact O-CB 3.21Å; D17-S21 PolarHBondContact O-N 3.21Å; L18-S21 PolarHBondContact O-N 3.33Å; S21-I23 PolarHBondContact O-N 3.17Å; S21-L24 WeakPolarHBondContact O-CB 3.43Å; S21-L24 PolarHBondContact O-N 3.37Å; S21-Q25 PolarHBondContact O-N 2.67Å
22	A	40.8	Very low	39.5	Very low	46 Å²	46	86.7 Å²	86.7	38%	0.38	45%	0.45	S	S	.	.	H	α-helix	trans	-63.8	-39.9	176	0	0	0	0	0	112.5	L18 G19 Y26	L18-A22 WeakPolarHBondContact O-CB 3.4Å; L18-A22 PolarHBondContact O-N 3.45Å; G19-A22 PolarHBondContact O-N 3.14Å; A22-Y26 WeakPolarHBondContact O-CB 3.49Å; A22-Y26 PolarHBondContact O-N 3.02Å
23	I	39.9	Very low	39.8	Very low	82 Å²	82	83.8 Å²	83.8	42%	0.421	44%	0.439	S	S	.	.	H	α-helix	trans	-63.2	-44.1	174	-68.1	165.4	0	0	0	110.6	W14 G19 K20 S21 Y26 G27	W14-I23 HydrophobicContact CB-CD1 4.44Å; W14-I23 HydrophobicContact CD2-CD1 4.49Å; W14-I23 HydrophobicContact CE3-CD1 3.7Å; W14-I23 HydrophobicContact CE3-CG1 3.64Å; W14-I23 HydrophobicContact CZ3-CD1 4.39Å; W14-I23 HydrophobicContact CZ3-CG1 3.82Å; G19-I23 WeakPolarHBondContact O-CG1 3.27Å; G19-I23 PolarHBondContact O-N 2.81Å; K20-I23 PolarHBondContact O-N 2.99Å; S21-I23 PolarHBondContact O-N 3.17Å; I23-Y26 PolarHBondContact O-N 2.92Å; I23-G27 PolarHBondContact O-N 3.44Å
24	L	38.5	Very low	39.9	Very low	106 Å²	106	80.8 Å²	80.8	56%	0.555	43%	0.43	S	S	*	.	H	α-helix	trans	-60	-50	177.1	-103.2	153.3	0	0	0	112	K20 S21 Y26 G27 V28	K20-L24 PolarHBondContact O-N 3.38Å; S21-L24 WeakPolarHBondContact O-CB 3.43Å; S21-L24 PolarHBondContact O-N 3.37Å; L24-Y26 PolarHBondContact O-N 2.9Å; L24-G27 PolarHBondContact O-N 3.27Å; L24-V28 VanDerWaalsContact O-CG2 3.32Å; L24-V28 WeakPolarHBondContact O-CG2 3.24Å; L24-V28 PolarHBondContact O-N 3.08Å
25	Q	41.3	Very low	39.8	Very low	143 Å²	143	77.5 Å²	77.5	67%	0.668	43%	0.425	S	S	*	.	H	α-helix	trans	-60.2	-45.5	177.2	-82.8	-172	-22.2	0	0	111.9	S21 G27 V28 E29	S21-Q25 PolarHBondContact O-N 2.67Å; Q25-G27 VanDerWaalsContact C-N 3.34Å; Q25-G27 PolarHBondContact O-N 2.94Å; Q25-V28 PolarHBondContact O-N 2.93Å; Q25-E29 WeakPolarHBondContact O-CB 3.2Å; Q25-E29 PolarHBondContact O-N 3.4Å
26	Y	40.1	Very low	39.8	Very low	109 Å²	109	78.2 Å²	78.2	43%	0.427	42%	0.423	S	S	.	.	H	α-helix	trans	-62.7	-41.1	177.7	-175.7	-103.7	0	0	0	112.2	A22 I23 L24 E29 L30 K132	A22-Y26 WeakPolarHBondContact O-CB 3.49Å; A22-Y26 PolarHBondContact O-N 3.02Å; I23-Y26 PolarHBondContact O-N 2.92Å; L24-Y26 PolarHBondContact O-N 2.9Å; Y26-E29 PolarHBondContact O-N 3.4Å; Y26-L30 VanDerWaalsContact O-CB 3.25Å; Y26-L30 WeakPolarHBondContact O-CB 3.27Å; Y26-L30 PolarHBondContact O-N 2.76Å; Y26-K132 HydrophobicContact CE1-CD 3.84Å; Y26-K132 HydrophobicContact CE1-CG 4.21Å
27	G	36.7	Very low	39.4	Very low	16 Å²	16	77.4 Å²	77.4	17%	0.165	42%	0.423	C	S	.	.	H	α-helix	trans	-63.3	-46.1	175.7	0	0	0	0	0	112.5	I23 L24 Q25 E29 L30 I31	I23-G27 PolarHBondContact O-N 3.44Å; L24-G27 PolarHBondContact O-N 3.27Å; Q25-G27 VanDerWaalsContact C-N 3.34Å; Q25-G27 PolarHBondContact O-N 2.94Å; G27-E29 PolarHBondContact O-N 2.76Å; G27-L30 PolarHBondContact O-N 2.92Å; G27-I31 WeakPolarHBondContact O-CB 3.35Å; G27-I31 VanDerWaalsContact O-CG1 3.24Å; G27-I31 WeakPolarHBondContact O-CG1 3.36Å; G27-I31 PolarHBondContact O-N 2.86Å
28	V	37.8	Very low	38.6	Very low	93 Å²	93	79.4 Å²	79.4	56%	0.564	43%	0.428	S	S	*	.	H	α-helix	trans	-62.6	-43	176.5	171.1	0	0	0	0	111.2	L24 Q25 I31 S32	L24-V28 VanDerWaalsContact O-CG2 3.32Å; L24-V28 WeakPolarHBondContact O-CG2 3.24Å; L24-V28 PolarHBondContact O-N 3.08Å; Q25-V28 PolarHBondContact O-N 2.93Å; V28-I31 PolarHBondContact O-N 3.5Å; V28-S32 VanDerWaalsContact O-CB 3.22Å; V28-S32 WeakPolarHBondContact O-CB 3.48Å; V28-S32 PolarHBondContact O-N 2.95Å
29	E	41.4	Very low	37.7	Very low	89 Å²	89	78.5 Å²	78.5	42%	0.416	42%	0.424	S	S	.	.	H	α-helix	trans	-66	-41.1	177.9	-168.8	177.1	-172.6	0	0	111.6	Q25 Y26 G27 S32 N33	Q25-E29 WeakPolarHBondContact O-CB 3.2Å; Q25-E29 PolarHBondContact O-N 3.4Å; Y26-E29 PolarHBondContact O-N 3.4Å; G27-E29 PolarHBondContact O-N 2.76Å; E29-S32 PolarHBondContact O-N 2.71Å; E29-N33 VanDerWaalsContact O-CB 3.29Å; E29-N33 WeakPolarHBondContact O-CB 3.1Å; E29-N33 PolarHBondContact O-N 2.92Å; E29-N33 PolarHBondContact O-ND2 2.88Å
30	L	38.3	Very low	37.5	Very low	42 Å²	42	80 Å²	80	22%	0.22	43%	0.431	C	S	.	.	H	α-helix	trans	-63.5	-45.6	175.7	-172	76.5	0	0	0	111.6	Y26 G27 N33 T34 A136	Y26-L30 VanDerWaalsContact O-CB 3.25Å; Y26-L30 WeakPolarHBondContact O-CB 3.27Å; Y26-L30 PolarHBondContact O-N 2.76Å; G27-L30 PolarHBondContact O-N 2.92Å; L30-N33 PolarHBondContact O-N 3.35Å; L30-T34 VanDerWaalsContact O-CB 3.23Å; L30-T34 WeakPolarHBondContact O-CB 3.47Å; L30-T34 PolarHBondContact O-N 3.25Å; L30-T34 PolarHBondContact O-OG1 3.49Å; L30-A136 HydrophobicContact CD2-CB 3.64Å
31	I	36.8	Very low	37	Very low	42 Å²	42	79.6 Å²	79.6	22%	0.215	44%	0.435	C	S	.	.	H	α-helix	trans	-63	-46.8	176.1	-68.7	166.2	0	0	0	109.8	G27 V28 N33 T34 V35 I139 I143	G27-I31 WeakPolarHBondContact O-CB 3.35Å; G27-I31 VanDerWaalsContact O-CG1 3.24Å; G27-I31 WeakPolarHBondContact O-CG1 3.36Å; G27-I31 PolarHBondContact O-N 2.86Å; V28-I31 PolarHBondContact O-N 3.5Å; I31-N33 VanDerWaalsContact C-N 3.34Å; I31-N33 PolarHBondContact O-N 2.61Å; I31-T34 PolarHBondContact O-N 3.4Å; I31-V35 HydrophobicContact CG2-CG2 4.24Å; I31-V35 WeakPolarHBondContact O-CB 3.49Å; I31-V35 VanDerWaalsContact O-CG2 3.27Å; I31-V35 WeakPolarHBondContact O-CG2 3.31Å; I31-V35 PolarHBondContact O-N 3.42Å; I31-I139 HydrophobicContact CD1-CG2 3.72Å; I31-I143 HydrophobicContact CD1-CD1 4.35Å
32	S	38	Very low	36.7	Very low	51 Å²	51	81.1 Å²	81.1	36%	0.357	44%	0.436	S	S	.	.	H	α-helix	trans	-58.2	-45	176.7	-172.4	0	0	0	0	111.8	V28 E29 K36	V28-S32 VanDerWaalsContact O-CB 3.22Å; V28-S32 WeakPolarHBondContact O-CB 3.48Å; V28-S32 PolarHBondContact O-N 2.95Å; E29-S32 PolarHBondContact O-N 2.71Å; S32-K36 VanDerWaalsContact O-CB 3.26Å; S32-K36 WeakPolarHBondContact O-CB 3.24Å; S32-K36 WeakPolarHBondContact O-CG 3.2Å; S32-K36 PolarHBondContact O-N 2.77Å
33	N	40.8	Very low	36.5	Very low	87 Å²	87	83.9 Å²	83.9	47%	0.465	44%	0.443	S	S	.	.	H	α-helix	trans	-69.2	-35.6	177.6	-72.2	-24.4	0	0	0	112.6	E29 L30 I31 K36 A37	E29-N33 VanDerWaalsContact O-CB 3.29Å; E29-N33 WeakPolarHBondContact O-CB 3.1Å; E29-N33 PolarHBondContact O-N 2.92Å; E29-N33 PolarHBondContact O-ND2 2.88Å; L30-N33 PolarHBondContact O-N 3.35Å; I31-N33 VanDerWaalsContact C-N 3.34Å; I31-N33 PolarHBondContact O-N 2.61Å; N33-K36 PolarHBondContact O-N 2.78Å; N33-A37 WeakPolarHBondContact O-CB 3.46Å; N33-A37 PolarHBondContact O-N 3.43Å
34	T	35.1	Very low	36.3	Very low	65 Å²	65	84.3 Å²	84.3	40%	0.399	45%	0.446	S	S	.	.	H	α-helix	trans	-69.4	-42.5	177.5	-58.8	0	0	0	0	110.8	L30 I31 A37 V40	L30-T34 VanDerWaalsContact O-CB 3.23Å; L30-T34 WeakPolarHBondContact O-CB 3.47Å; L30-T34 PolarHBondContact O-N 3.25Å; L30-T34 PolarHBondContact O-OG1 3.49Å; I31-T34 PolarHBondContact O-N 3.4Å; T34-A37 WeakPolarHBondContact O-CB 3.48Å; T34-A37 PolarHBondContact O-N 2.93Å; T34-V40 HydrophobicContact CG2-CG2 3.9Å; T34-V40 VanDerWaalsContact O-CB 3.27Å; T34-V40 WeakPolarHBondContact O-CB 3.39Å; T34-V40 WeakPolarHBondContact O-CG2 3.31Å
35	V	34.3	Very low	36.2	Very low	70 Å²	70	83 Å²	83	42%	0.424	44%	0.439	S	S	.	.	H	α-helix	trans	-69	-33.1	173.8	174.3	0	0	0	0	111.5	I31 P41	I31-V35 HydrophobicContact CG2-CG2 4.24Å; I31-V35 WeakPolarHBondContact O-CB 3.49Å; I31-V35 VanDerWaalsContact O-CG2 3.27Å; I31-V35 WeakPolarHBondContact O-CG2 3.31Å; I31-V35 PolarHBondContact O-N 3.42Å; V35-P41 WeakPolarHBondContact O-CD 3.43Å; V35-P41 WeakPolarHBondContact O-CG 3.44Å
36	K	36.2	Very low	36.3	Very low	112 Å²	112	79.5 Å²	79.5	49%	0.487	43%	0.425	S	S	.	.	H	α-helix	trans	-76.1	-23.6	174.2	-76.4	175.4	-178.4	-179	0	113.6	S32 N33 E38 S101	S32-K36 VanDerWaalsContact O-CB 3.26Å; S32-K36 WeakPolarHBondContact O-CB 3.24Å; S32-K36 WeakPolarHBondContact O-CG 3.2Å; S32-K36 PolarHBondContact O-N 2.77Å; N33-K36 PolarHBondContact O-N 2.78Å; K36-E38 PolarHBondContact O-N 2.84Å; K36-S101 PolarHBondContact NZ-OG 3.2Å; K36-S101 VanDerWaalsContact NZ-OG 3.15Å
37	A	35.1	Very low	36.1	Very low	49 Å²	49	76.9 Å²	76.9	41%	0.405	42%	0.423	S	S	.	.	S	Bend	trans	-65.5	116.7	177	0	0	0	0	0	108.1	N33 T34 L39 V40 P41	N33-A37 WeakPolarHBondContact O-CB 3.46Å; N33-A37 PolarHBondContact O-N 3.43Å; T34-A37 WeakPolarHBondContact O-CB 3.48Å; T34-A37 PolarHBondContact O-N 2.93Å; A37-L39 PolarHBondContact O-N 3.5Å; A37-V40 PolarHBondContact O-N 3.46Å; A37-P41 WeakPolarHBondContact O-CD 3.5Å
38	E	31.4	Very low	36.1	Very low	178 Å²	178	81.1 Å²	81.1	83%	0.832	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.7	-29.7	-172.2	-76.1	178.4	149.7	0	0	114.6	K36 V40 P41 Q42	K36-E38 PolarHBondContact O-N 2.84Å; E38-V40 PolarHBondContact O-N 3.23Å; E38-P41 WeakPolarHBondContact O-CD 3.3Å; E38-Q42 WeakPolarHBondContact O-CB 3.45Å; E38-Q42 PolarHBondContact O-N 2.93Å
39	L	30.4	Very low	36.1	Very low	132 Å²	132	81 Å²	81	69%	0.691	43%	0.432	S	S	*	.	H	α-helix	trans	-59	-40.4	177.4	-137.1	94.2	0	0	0	113.7	A37 L43	A37-L39 PolarHBondContact O-N 3.5Å; L39-L43 HydrophobicContact CD2-CD1 4.17Å; L39-L43 HydrophobicContact CG-CD1 4.46Å; L39-L43 VanDerWaalsContact O-CB 3.31Å; L39-L43 WeakPolarHBondContact O-CB 3.46Å; L39-L43 PolarHBondContact O-N 2.84Å
40	V	31.4	Very low	36	Very low	40 Å²	40	81.8 Å²	81.8	24%	0.242	44%	0.436	C	S	.	.	H	α-helix	trans	-79.3	-44.6	-174.6	176.8	0	0	0	0	112.2	T34 A37 E38 Q42 L43 L44	T34-V40 HydrophobicContact CG2-CG2 3.9Å; T34-V40 VanDerWaalsContact O-CB 3.27Å; T34-V40 WeakPolarHBondContact O-CB 3.39Å; T34-V40 WeakPolarHBondContact O-CG2 3.31Å; A37-V40 PolarHBondContact O-N 3.46Å; E38-V40 PolarHBondContact O-N 3.23Å; V40-Q42 PolarHBondContact O-N 2.85Å; V40-L43 PolarHBondContact O-N 3.39Å; V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 HydrophobicContact CG1-CG 4.48Å; V40-L44 VanDerWaalsContact O-CB 3.3Å; V40-L44 WeakPolarHBondContact O-CB 3.23Å; V40-L44 WeakPolarHBondContact O-CG 3.32Å; V40-L44 PolarHBondContact O-N 3.48Å
41	P	30.7	Very low	35.9	Very low	58 Å²	58	84.6 Å²	84.6	38%	0.377	45%	0.45	S	S	.	.	H	α-helix	trans	-56.5	-39.7	167.5	-26.4	36.4	0	0	0	111.7	V35 A37 E38 L45	V35-P41 WeakPolarHBondContact O-CD 3.43Å; V35-P41 WeakPolarHBondContact O-CG 3.44Å; A37-P41 WeakPolarHBondContact O-CD 3.5Å; E38-P41 WeakPolarHBondContact O-CD 3.3Å; P41-L45 WeakPolarHBondContact O-CA 3.48Å; P41-L45 WeakPolarHBondContact O-CB 3.3Å; P41-L45 PolarHBondContact O-N 3.41Å
42	Q	35.8	Very low	35.8	Very low	94 Å²	94	87.6 Å²	87.6	44%	0.439	46%	0.459	S	S	.	.	H	α-helix	trans	-69.3	-44.9	179.9	-166.6	65.4	35.7	0	0	112	E38 V40 L45 D46	E38-Q42 WeakPolarHBondContact O-CB 3.45Å; E38-Q42 PolarHBondContact O-N 2.93Å; V40-Q42 PolarHBondContact O-N 2.85Å; Q42-L45 PolarHBondContact O-N 2.88Å; Q42-D46 PolarHBondContact NE2-OD1 2.83Å; Q42-D46 PolarHBondContact NE2-OD2 3.45Å; Q42-D46 WeakPolarHBondContact O-CB 3.2Å; Q42-D46 PolarHBondContact O-N 2.93Å
43	L	37.2	Very low	36	Very low	104 Å²	104	91.6 Å²	91.6	55%	0.545	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-44.6	174	-96.7	151.9	0	0	0	112.1	L39 V40 L45 D46 S47	L39-L43 HydrophobicContact CD2-CD1 4.17Å; L39-L43 HydrophobicContact CG-CD1 4.46Å; L39-L43 VanDerWaalsContact O-CB 3.31Å; L39-L43 WeakPolarHBondContact O-CB 3.46Å; L39-L43 PolarHBondContact O-N 2.84Å; V40-L43 PolarHBondContact O-N 3.39Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-D46 PolarHBondContact O-N 3Å; L43-S47 WeakPolarHBondContact O-CB 3.29Å; L43-S47 PolarHBondContact O-N 2.87Å; L43-S47 PolarHBondContact O-OG 3.28Å; L43-S47 VanDerWaalsContact O-OG 3.05Å
44	L	35.9	Very low	35.9	Very low	90 Å²	90	92.3 Å²	92.3	47%	0.471	48%	0.477	S	S	.	.	H	α-helix	trans	-62.9	-42.7	174.1	-80.5	164.9	0	0	0	111.1	V40 S47 I48	V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 HydrophobicContact CG1-CG 4.48Å; V40-L44 VanDerWaalsContact O-CB 3.3Å; V40-L44 WeakPolarHBondContact O-CB 3.23Å; V40-L44 WeakPolarHBondContact O-CG 3.32Å; V40-L44 PolarHBondContact O-N 3.48Å; L44-S47 PolarHBondContact O-N 3.26Å; L44-I48 VanDerWaalsContact O-CB 3.32Å; L44-I48 WeakPolarHBondContact O-CB 3.42Å; L44-I48 WeakPolarHBondContact O-CD1 3.5Å; L44-I48 WeakPolarHBondContact O-CG1 3.04Å; L44-I48 PolarHBondContact O-N 3.25Å
45	L	36.6	Very low	35.8	Very low	80 Å²	80	93.5 Å²	93.5	42%	0.419	48%	0.48	S	S	.	.	H	α-helix	trans	-63.8	-41	177.4	-171.8	79.2	0	0	0	111.2	P41 Q42 L43 I48 K49	P41-L45 WeakPolarHBondContact O-CA 3.48Å; P41-L45 WeakPolarHBondContact O-CB 3.3Å; P41-L45 PolarHBondContact O-N 3.41Å; Q42-L45 PolarHBondContact O-N 2.88Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L45-I48 PolarHBondContact O-N 3.27Å; L45-K49 WeakPolarHBondContact O-CB 3.37Å; L45-K49 VanDerWaalsContact O-CG 3.26Å; L45-K49 WeakPolarHBondContact O-CG 3.35Å; L45-K49 PolarHBondContact O-N 3.39Å
46	D	41.6	Very low	35.9	Very low	68 Å²	68	93.2 Å²	93.2	36%	0.364	48%	0.476	S	S	.	.	H	α-helix	trans	-71.9	-39.4	179.6	-68	-22.4	0	0	0	111.1	Q42 L43 I48 K49 E50	Q42-D46 PolarHBondContact NE2-OD1 2.83Å; Q42-D46 PolarHBondContact NE2-OD2 3.45Å; Q42-D46 WeakPolarHBondContact O-CB 3.2Å; Q42-D46 PolarHBondContact O-N 2.93Å; L43-D46 PolarHBondContact O-N 3Å; D46-I48 PolarHBondContact O-N 2.99Å; D46-K49 WeakPolarHBondContact O-CB 3.49Å; D46-K49 PolarHBondContact O-N 2.78Å; D46-K49 IonicContact OD1-NZ 3.78Å; D46-K49 PolarHBondContact OD1-NZ 3.02Å; D46-E50 WeakPolarHBondContact O-CB 3.26Å; D46-E50 PolarHBondContact O-N 3.28Å
47	S	37	Very low	36.2	Very low	54 Å²	54	90.2 Å²	90.2	38%	0.378	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-41.3	169.6	-64.8	0	0	0	0	112.2	L43 L44 K49 E50 I51	L43-S47 WeakPolarHBondContact O-CB 3.29Å; L43-S47 PolarHBondContact O-N 2.87Å; L43-S47 PolarHBondContact O-OG 3.28Å; L43-S47 VanDerWaalsContact O-OG 3.05Å; L44-S47 PolarHBondContact O-N 3.26Å; S47-K49 VanDerWaalsContact C-N 3.35Å; S47-E50 PolarHBondContact O-N 3.21Å; S47-I51 VanDerWaalsContact O-CG1 3.27Å; S47-I51 WeakPolarHBondContact O-CG1 3.45Å; S47-I51 PolarHBondContact O-N 3.13Å
48	I	35.6	Very low	36.1	Very low	105 Å²	105	92.1 Å²	92.1	54%	0.538	47%	0.472	S	S	.	.	H	α-helix	trans	-66.2	-38.1	175.2	-71.1	164.9	0	0	0	110.6	L44 L45 D46 Y52	L44-I48 VanDerWaalsContact O-CB 3.32Å; L44-I48 WeakPolarHBondContact O-CB 3.42Å; L44-I48 WeakPolarHBondContact O-CD1 3.5Å; L44-I48 WeakPolarHBondContact O-CG1 3.04Å; L44-I48 PolarHBondContact O-N 3.25Å; L45-I48 PolarHBondContact O-N 3.27Å; D46-I48 PolarHBondContact O-N 2.99Å; I48-Y52 WeakPolarHBondContact O-CB 3.41Å; I48-Y52 PolarHBondContact O-N 3.05Å
49	K	39.1	Very low	36.1	Very low	90 Å²	90	87.7 Å²	87.7	39%	0.391	45%	0.454	S	S	.	.	H	α-helix	trans	-65	-40.8	174	-76.9	172.5	-164.8	152.4	0	111.7	L45 D46 S47 Y52 Q53	L45-K49 WeakPolarHBondContact O-CB 3.37Å; L45-K49 VanDerWaalsContact O-CG 3.26Å; L45-K49 WeakPolarHBondContact O-CG 3.35Å; L45-K49 PolarHBondContact O-N 3.39Å; D46-K49 WeakPolarHBondContact O-CB 3.49Å; D46-K49 PolarHBondContact O-N 2.78Å; D46-K49 IonicContact OD1-NZ 3.78Å; D46-K49 PolarHBondContact OD1-NZ 3.02Å; S47-K49 VanDerWaalsContact C-N 3.35Å; K49-Y52 PolarHBondContact O-N 2.84Å; K49-Q53 WeakPolarHBondContact O-CB 3.15Å; K49-Q53 VanDerWaalsContact O-CG 3.31Å; K49-Q53 WeakPolarHBondContact O-CG 3.36Å; K49-Q53 PolarHBondContact O-N 2.78Å
50	E	39.5	Very low	36.2	Very low	107 Å²	107	84.9 Å²	84.9	50%	0.5	45%	0.445	S	S	.	.	H	α-helix	trans	-63	-49.9	177.2	-169.8	176.4	-179.5	0	0	109.9	D46 S47 Y52 Q53 D54	D46-E50 WeakPolarHBondContact O-CB 3.26Å; D46-E50 PolarHBondContact O-N 3.28Å; S47-E50 PolarHBondContact O-N 3.21Å; E50-Y52 VanDerWaalsContact C-N 3.29Å; E50-Y52 PolarHBondContact O-N 3.32Å; E50-Q53 WeakPolarHBondContact O-CB 3.31Å; E50-Q53 PolarHBondContact O-N 3.48Å; E50-Q53 VanDerWaalsContact O-N 3.12Å; E50-D54 PolarHBondContact O-N 3.13Å
51	I	36.4	Very low	36.5	Very low	101 Å²	101	87.4 Å²	87.4	52%	0.518	46%	0.457	S	S	.	.	H	α-helix	trans	-58.6	-41.1	173.6	-66.6	166.2	0	0	0	111	S47 D54 I55	S47-I51 VanDerWaalsContact O-CG1 3.27Å; S47-I51 WeakPolarHBondContact O-CG1 3.45Å; S47-I51 PolarHBondContact O-N 3.13Å; I51-D54 PolarHBondContact O-N 2.8Å; I51-I55 HydrophobicContact CG2-CD1 3.7Å; I51-I55 HydrophobicContact CG2-CG1 4.35Å; I51-I55 WeakPolarHBondContact O-CB 3.27Å; I51-I55 VanDerWaalsContact O-CG1 3.23Å; I51-I55 WeakPolarHBondContact O-CG1 3.39Å; I51-I55 PolarHBondContact O-N 3.23Å
52	Y	33.9	Very low	36.3	Very low	104 Å²	104	89.6 Å²	89.6	41%	0.408	47%	0.465	S	S	.	.	H	α-helix	trans	-64.8	-40.6	176.5	179.4	-97.3	0	0	0	112.3	I48 K49 E50 D54 I55 N56 L88	I48-Y52 WeakPolarHBondContact O-CB 3.41Å; I48-Y52 PolarHBondContact O-N 3.05Å; K49-Y52 PolarHBondContact O-N 2.84Å; E50-Y52 VanDerWaalsContact C-N 3.29Å; E50-Y52 PolarHBondContact O-N 3.32Å; Y52-D54 VanDerWaalsContact C-N 3.35Å; Y52-I55 PolarHBondContact O-N 3.46Å; Y52-N56 WeakPolarHBondContact CE1-ND2 3.45Å; Y52-N56 VanDerWaalsContact CZ-ND2 3.3Å; Y52-N56 VanDerWaalsContact O-CB 3.31Å; Y52-N56 WeakPolarHBondContact O-CB 3.42Å; Y52-N56 PolarHBondContact O-N 2.86Å; Y52-N56 PolarHBondContact OH-ND2 3.42Å; Y52-L88 HydrophobicContact CE2-CD1 4.42Å
53	Q	42	Very low	35.8	Very low	135 Å²	135	90.2 Å²	90.2	63%	0.631	47%	0.471	S	S	*	.	H	α-helix	trans	-65.1	-40	175.1	-76.6	177.3	2.6	0	0	111.3	K49 E50 N56 S57	K49-Q53 WeakPolarHBondContact O-CB 3.15Å; K49-Q53 VanDerWaalsContact O-CG 3.31Å; K49-Q53 WeakPolarHBondContact O-CG 3.36Å; K49-Q53 PolarHBondContact O-N 2.78Å; E50-Q53 WeakPolarHBondContact O-CB 3.31Å; E50-Q53 PolarHBondContact O-N 3.48Å; E50-Q53 VanDerWaalsContact O-N 3.12Å; Q53-N56 PolarHBondContact O-N 3.01Å; Q53-S57 WeakPolarHBondContact O-CB 3.21Å; Q53-S57 PolarHBondContact O-N 3.19Å; Q53-S57 PolarHBondContact O-OG 3.26Å
54	D	38.1	Very low	35.4	Very low	103 Å²	103	87.8 Å²	87.8	55%	0.551	47%	0.467	S	S	*	.	H	α-helix	trans	-68.5	-39.7	177	-120.6	20.5	0	0	0	112.1	E50 I51 Y52 S57 N58	E50-D54 PolarHBondContact O-N 3.13Å; I51-D54 PolarHBondContact O-N 2.8Å; Y52-D54 VanDerWaalsContact C-N 3.35Å; D54-S57 WeakPolarHBondContact CA-OG 3.29Å; D54-S57 PolarHBondContact O-OG 2.84Å; D54-N58 VanDerWaalsContact O-CB 3.26Å; D54-N58 WeakPolarHBondContact O-CB 3.21Å; D54-N58 VanDerWaalsContact O-CG 3.22Å; D54-N58 PolarHBondContact O-N 2.88Å; D54-N58 PolarHBondContact O-ND2 3.34Å
55	I	33.4	Very low	35	Very low	90 Å²	90	88.4 Å²	88.4	46%	0.462	47%	0.469	S	S	.	.	H	α-helix	trans	-66.7	-42.1	172.7	-69.9	168.8	0	0	0	110.2	I51 Y52 N58 L59	I51-I55 HydrophobicContact CG2-CD1 3.7Å; I51-I55 HydrophobicContact CG2-CG1 4.35Å; I51-I55 WeakPolarHBondContact O-CB 3.27Å; I51-I55 VanDerWaalsContact O-CG1 3.23Å; I51-I55 WeakPolarHBondContact O-CG1 3.39Å; I51-I55 PolarHBondContact O-N 3.23Å; Y52-I55 PolarHBondContact O-N 3.46Å; I55-N58 PolarHBondContact O-N 3.36Å; I55-L59 HydrophobicContact CG2-CD1 3.61Å; I55-L59 HydrophobicContact CG2-CG 4.38Å; I55-L59 VanDerWaalsContact O-CB 3.27Å; I55-L59 WeakPolarHBondContact O-CB 3.4Å; I55-L59 WeakPolarHBondContact O-CG 3.31Å; I55-L59 PolarHBondContact O-N 3.48Å
56	N	36.4	Very low	34.2	Very low	64 Å²	64	86.1 Å²	86.1	34%	0.342	46%	0.462	S	S	.	.	H	α-helix	trans	-66.8	-39.4	177.2	-101.3	-3.9	0	0	0	112.5	Y52 Q53 N58 L59 S60	Y52-N56 WeakPolarHBondContact CE1-ND2 3.45Å; Y52-N56 VanDerWaalsContact CZ-ND2 3.3Å; Y52-N56 VanDerWaalsContact O-CB 3.31Å; Y52-N56 WeakPolarHBondContact O-CB 3.42Å; Y52-N56 PolarHBondContact O-N 2.86Å; Y52-N56 PolarHBondContact OH-ND2 3.42Å; Q53-N56 PolarHBondContact O-N 3.01Å; N56-N58 VanDerWaalsContact C-N 3.35Å; N56-L59 PolarHBondContact O-N 3.39Å; N56-S60 VanDerWaalsContact O-CB 3.31Å; N56-S60 WeakPolarHBondContact O-CB 3.38Å; N56-S60 PolarHBondContact O-N 2.84Å; N56-S60 PolarHBondContact O-OG 3.26Å
57	S	42.4	Very low	33.2	Very low	48 Å²	48	90 Å²	90	34%	0.336	48%	0.476	S	S	.	.	H	α-helix	trans	-64.8	-43.3	176.8	66.1	0	0	0	0	110.1	Q53 D54 S60 N61	Q53-S57 WeakPolarHBondContact O-CB 3.21Å; Q53-S57 PolarHBondContact O-N 3.19Å; Q53-S57 PolarHBondContact O-OG 3.26Å; D54-S57 WeakPolarHBondContact CA-OG 3.29Å; D54-S57 PolarHBondContact O-OG 2.84Å; S57-S60 WeakPolarHBondContact O-CB 3.31Å; S57-S60 PolarHBondContact O-N 2.87Å; S57-N61 WeakPolarHBondContact O-CB 3.5Å; S57-N61 VanDerWaalsContact O-CG 3.25Å; S57-N61 PolarHBondContact O-N 3.23Å; S57-N61 PolarHBondContact O-ND2 2.8Å
58	N	33.8	Very low	32.7	Very low	89 Å²	89	93.5 Å²	93.5	48%	0.476	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-37.7	175	-73.3	-42.5	0	0	0	112.8	D54 I55 N56 N61 L62	D54-N58 VanDerWaalsContact O-CB 3.26Å; D54-N58 WeakPolarHBondContact O-CB 3.21Å; D54-N58 VanDerWaalsContact O-CG 3.22Å; D54-N58 PolarHBondContact O-N 2.88Å; D54-N58 PolarHBondContact O-ND2 3.34Å; I55-N58 PolarHBondContact O-N 3.36Å; N56-N58 VanDerWaalsContact C-N 3.35Å; N58-N61 PolarHBondContact O-N 3.29Å; N58-L62 WeakPolarHBondContact O-CB 3.41Å; N58-L62 WeakPolarHBondContact O-CG 3.35Å; N58-L62 PolarHBondContact O-N 3.14Å
59	L	30.4	Very low	32.3	Very low	86 Å²	86	95 Å²	95	45%	0.45	50%	0.495	S	S	.	.	H	α-helix	trans	-67.3	-38.1	171.9	-84	160.5	0	0	0	112.2	I55 N56 N61 L62 D63	I55-L59 HydrophobicContact CG2-CD1 3.61Å; I55-L59 HydrophobicContact CG2-CG 4.38Å; I55-L59 VanDerWaalsContact O-CB 3.27Å; I55-L59 WeakPolarHBondContact O-CB 3.4Å; I55-L59 WeakPolarHBondContact O-CG 3.31Å; I55-L59 PolarHBondContact O-N 3.48Å; N56-L59 PolarHBondContact O-N 3.39Å; L59-N61 VanDerWaalsContact C-N 3.3Å; L59-N61 PolarHBondContact O-N 2.9Å; L59-L62 CarbonylContact O-C 3.58Å; L59-L62 WeakPolarHBondContact O-CB 3.2Å; L59-L62 PolarHBondContact O-N 2.82Å; L59-D63 WeakPolarHBondContact O-CB 3.23Å; L59-D63 PolarHBondContact O-N 3.07Å
60	S	34.3	Very low	31.7	Very low	72 Å²	72	96 Å²	96	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-63.8	-39.7	174.9	-54.9	0	0	0	0	110.8	N56 S57 D63 A64	N56-S60 VanDerWaalsContact O-CB 3.31Å; N56-S60 WeakPolarHBondContact O-CB 3.38Å; N56-S60 PolarHBondContact O-N 2.84Å; N56-S60 PolarHBondContact O-OG 3.26Å; S57-S60 WeakPolarHBondContact O-CB 3.31Å; S57-S60 PolarHBondContact O-N 2.87Å; S60-D63 PolarHBondContact O-N 3.38Å; S60-A64 WeakPolarHBondContact O-CB 3.4Å; S60-A64 PolarHBondContact O-N 3.5Å
61	N	36.7	Very low	31	Very low	94 Å²	94	97.8 Å²	97.8	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-67.2	-40.6	173.9	-71.1	-22.7	0	0	0	111.4	S57 N58 L59 A64 I65	S57-N61 WeakPolarHBondContact O-CB 3.5Å; S57-N61 VanDerWaalsContact O-CG 3.25Å; S57-N61 PolarHBondContact O-N 3.23Å; S57-N61 PolarHBondContact O-ND2 2.8Å; N58-N61 PolarHBondContact O-N 3.29Å; L59-N61 VanDerWaalsContact C-N 3.3Å; L59-N61 PolarHBondContact O-N 2.9Å; N61-A64 PolarHBondContact O-N 3.41Å; N61-I65 WeakPolarHBondContact O-CD1 3.45Å; N61-I65 WeakPolarHBondContact O-CG1 3.18Å; N61-I65 PolarHBondContact O-N 2.96Å
62	L	26.4	Very low	30.7	Very low	104 Å²	104	103.5 Å²	103.5	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-64.2	-39.7	172.9	-83.7	157.8	0	0	0	112.2	N58 L59 A64 I65 A66	N58-L62 WeakPolarHBondContact O-CB 3.41Å; N58-L62 WeakPolarHBondContact O-CG 3.35Å; N58-L62 PolarHBondContact O-N 3.14Å; L59-L62 CarbonylContact O-C 3.58Å; L59-L62 WeakPolarHBondContact O-CB 3.2Å; L59-L62 PolarHBondContact O-N 2.82Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-I65 PolarHBondContact O-N 3Å; L62-A66 WeakPolarHBondContact O-CB 3.44Å; L62-A66 PolarHBondContact O-N 3.36Å
63	D	26.3	Very low	30.5	Very low	106 Å²	106	104.4 Å²	104.4	57%	0.567	54%	0.538	S	S	*	.	H	α-helix	trans	-65.6	-36.5	173.8	-95	-18.8	0	0	0	111.2	L59 S60 F67	L59-D63 WeakPolarHBondContact O-CB 3.23Å; L59-D63 PolarHBondContact O-N 3.07Å; S60-D63 PolarHBondContact O-N 3.38Å; D63-F67 VanDerWaalsContact O-CB 3.24Å; D63-F67 WeakPolarHBondContact O-CB 3.44Å; D63-F67 PolarHBondContact O-N 2.85Å
64	A	28	Very low	29.7	Very low	54 Å²	54	100.9 Å²	100.9	45%	0.446	54%	0.539	S	S	.	.	H	α-helix	trans	-68.2	-40.6	174.8	0	0	0	0	0	112.6	S60 N61 L62 F67 N68	S60-A64 WeakPolarHBondContact O-CB 3.4Å; S60-A64 PolarHBondContact O-N 3.5Å; N61-A64 PolarHBondContact O-N 3.41Å; L62-A64 VanDerWaalsContact C-N 3.34Å; A64-F67 PolarHBondContact O-N 2.69Å; A64-N68 PolarHBondContact O-N 3.38Å
65	I	26.4	Very low	29.1	Very low	103 Å²	103	102.8 Å²	102.8	53%	0.528	55%	0.554	S	S	.	*	H	α-helix	trans	-68.4	-45.2	175.4	-65.1	163	0	0	0	110	N61 L62 F67 N68 E69	N61-I65 WeakPolarHBondContact O-CD1 3.45Å; N61-I65 WeakPolarHBondContact O-CG1 3.18Å; N61-I65 PolarHBondContact O-N 2.96Å; L62-I65 PolarHBondContact O-N 3Å; I65-F67 VanDerWaalsContact C-N 3.3Å; I65-F67 PolarHBondContact O-N 3.02Å; I65-N68 PolarHBondContact O-N 2.97Å; I65-E69 PolarHBondContact O-N 3.41Å; I65-E69 VanDerWaalsContact O-N 3.12Å
66	A	21.8	Very low	28.7	Very low	32 Å²	32	103.6 Å²	103.6	26%	0.264	56%	0.564	S	S	.	*	H	α-helix	trans	-67.9	-26.7	176	0	0	0	0	0	112.6	L62 E69 K70	L62-A66 WeakPolarHBondContact O-CB 3.44Å; L62-A66 PolarHBondContact O-N 3.36Å; A66-E69 PolarHBondContact O-N 2.8Å; A66-K70 WeakPolarHBondContact O-CB 3.45Å; A66-K70 WeakPolarHBondContact O-CG 3.44Å; A66-K70 PolarHBondContact O-N 3.44Å
67	F	20	Very low	28.1	Very low	150 Å²	150	109.1 Å²	109.1	66%	0.658	59%	0.587	S	S	*	*	H	α-helix	trans	-67.1	-41.3	172.4	-127.9	-92.9	0	0	0	111.4	D63 A64 I65 E69 L71	D63-F67 VanDerWaalsContact O-CB 3.24Å; D63-F67 WeakPolarHBondContact O-CB 3.44Å; D63-F67 PolarHBondContact O-N 2.85Å; A64-F67 PolarHBondContact O-N 2.69Å; I65-F67 VanDerWaalsContact C-N 3.3Å; I65-F67 PolarHBondContact O-N 3.02Å; F67-E69 VanDerWaalsContact C-N 3.32Å; F67-L71 PolarHBondContact O-N 2.87Å
68	N	26.4	Very low	27.4	Very low	127 Å²	127	118.4 Å²	118.4	68%	0.679	62%	0.615	S	S	*	*	H	α-helix	trans	-67.7	-32.3	175.9	-86.5	-25.5	0	0	0	112.2	A64 I65	A64-N68 PolarHBondContact O-N 3.38Å; I65-N68 PolarHBondContact O-N 2.97Å
69	E	26.8	Very low	27.1	Very low	135 Å²	135	120.8 Å²	120.8	63%	0.631	63%	0.626	S	S	*	*	H	α-helix	trans	-81.7	-34.9	175.1	-75.2	-168.4	144.4	0	0	114.1	I65 A66 F67 L71 R72 N73	I65-E69 PolarHBondContact O-N 3.41Å; I65-E69 VanDerWaalsContact O-N 3.12Å; A66-E69 PolarHBondContact O-N 2.8Å; F67-E69 VanDerWaalsContact C-N 3.32Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 3.46Å; E69-R72 WeakPolarHBondContact O-CA 3.47Å; E69-R72 WeakPolarHBondContact O-CB 3.45Å; E69-R72 PolarHBondContact O-N 3.33Å; E69-N73 PolarHBondContact O-N 3.42Å; E69-N73 VanDerWaalsContact O-N 3.13Å
70	K	25.8	Very low	26.9	Very low	113 Å²	113	122.4 Å²	122.4	49%	0.491	63%	0.634	S	S	.	*	H	α-helix	trans	-73.9	-18.6	179.4	-81.9	-177	175.9	179.3	0	114.3	A66 R72	A66-K70 WeakPolarHBondContact O-CB 3.45Å; A66-K70 WeakPolarHBondContact O-CG 3.44Å; A66-K70 PolarHBondContact O-N 3.44Å; K70-R72 VanDerWaalsContact C-N 3.26Å
71	L	25.4	Very low	26.7	Very low	144 Å²	144	122.6 Å²	122.6	75%	0.754	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-26.3	165.8	-104	149.9	0	0	0	112	F67 E69	F67-L71 PolarHBondContact O-N 2.87Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 3.46Å
72	R	31	Very low	26.1	Very low	220 Å²	220	127 Å²	127	83%	0.83	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-39.6	174.5	-84.8	-179.4	166.5	-176.5	-3	112.7	E69 K70	E69-R72 WeakPolarHBondContact O-CA 3.47Å; E69-R72 WeakPolarHBondContact O-CB 3.45Å; E69-R72 PolarHBondContact O-N 3.33Å; K70-R72 VanDerWaalsContact C-N 3.26Å
73	N	28	Very low	26.2	Very low	123 Å²	123	126.3 Å²	126.3	66%	0.658	65%	0.648	S	S	*	*	S	Bend	trans	-121.7	99.2	-171.3	-68	-16.2	0	0	0	110.7	E69	E69-N73 PolarHBondContact O-N 3.42Å; E69-N73 VanDerWaalsContact O-N 3.13Å
74	G	25.4	Very low	26.3	Very low	62 Å²	62	126 Å²	126	64%	0.639	65%	0.645	S	S	*	*			trans	-53.3	150.3	174.9	0	0	0	0	0	112.4
75	T	25.6	Very low	26.3	Very low	143 Å²	143	127.7 Å²	127.7	88%	0.877	65%	0.646	S	S	*	*			trans	71.9	84.2	174.1	45.8	0	0	0	0	118
76	T	25.1	Very low	26.5	Very low	107 Å²	107	125.5 Å²	125.5	66%	0.656	64%	0.64	S	S	*	*			trans	-150.1	106	133.3	-21.7	0	0	0	0	110.2
77	Q	25.1	Very low	27	Very low	180 Å²	180	128.5 Å²	128.5	84%	0.841	65%	0.649	S	S	*	*			trans	-59.5	144.8	178.5	-79.6	174.4	-17.2	0	0	111.8	I79	Q77-I79 PolarHBondContact O-N 2.88Å
78	R	25.7	Very low	27.3	Very low	242 Å²	242	124.6 Å²	124.6	91%	0.913	63%	0.634	S	S	*	*			trans	-49.3	92.5	174.5	-68.7	170.3	168.2	171.3	-5.3	113
79	I	27.8	Very low	27.3	Very low	139 Å²	139	123.4 Å²	123.4	71%	0.713	63%	0.628	S	S	*	*			trans	-137.2	84.7	156.9	-42.8	175.4	0	0	0	102.8	Q77	Q77-I79 PolarHBondContact O-N 2.88Å
80	I	26.9	Very low	27.4	Very low	120 Å²	120	123.4 Å²	123.4	62%	0.615	63%	0.626	S	S	*	*	S	Bend		-179.6	96.1	110	-76.1	143.5	0	0	0	104	I84	I80-I84 HydrophobicContact CG2-CD1 3.52Å; I80-I84 HydrophobicContact CG2-CG1 4.02Å
81	P	29.4	Very low	27.5	Very low	77 Å²	77	123.8 Å²	123.8	50%	0.5	64%	0.637	S	S	.	*	S	Bend		-133.1	-7.9	127.8	2.7	18.5	0	0	0	114.7	I85	P81-I85 WeakPolarHBondContact O-CG1 3.27Å
82	K	25.6	Very low	27.5	Very low	185 Å²	185	122.3 Å²	122.3	80%	0.804	63%	0.629	S	S	*	*	H	α-helix	trans	-74.9	-34	-176.3	-80.7	-172.4	175	-177	0	114.6	S86	K82-S86 PolarHBondContact O-N 3.33Å
83	V	27	Very low	27.1	Very low	91 Å²	91	118 Å²	118	55%	0.552	62%	0.618	S	S	*	*	H	α-helix	trans	-72.4	-41.1	-177.4	-178.2	0	0	0	0	111.2	S86 E87	V83-S86 PolarHBondContact O-N 3.12Å; V83-S86 PolarHBondContact O-OG 3.34Å; V83-E87 PolarHBondContact O-N 2.92Å; V83-E87 VanDerWaalsContact O-N 3.13Å
84	I	28.2	Very low	27.3	Very low	98 Å²	98	117.4 Å²	117.4	50%	0.503	62%	0.621	S	S	.	*	H	α-helix	trans	-64.9	-43	179.8	-62.6	177.5	0	0	0	110.7	I80 S86 E87 L88	I80-I84 HydrophobicContact CG2-CD1 3.52Å; I80-I84 HydrophobicContact CG2-CG1 4.02Å; I84-S86 PolarHBondContact O-N 2.85Å; I84-E87 PolarHBondContact O-N 3.08Å; I84-L88 HydrophobicContact CG2-CD1 3.82Å; I84-L88 WeakPolarHBondContact O-CB 3.42Å; I84-L88 PolarHBondContact O-N 3.38Å
85	I	28.7	Very low	27.2	Very low	91 Å²	91	122.6 Å²	122.6	47%	0.467	63%	0.626	S	S	.	*	H	α-helix	trans	-67.4	-35.3	178.2	-65.7	172.3	0	0	0	111.8	P81 N89	P81-I85 WeakPolarHBondContact O-CG1 3.27Å; I85-N89 WeakPolarHBondContact O-CB 3.45Å; I85-N89 PolarHBondContact O-N 2.94Å; I85-N89 VanDerWaalsContact O-N 3.13Å; I85-N89 PolarHBondContact O-ND2 2.68Å
86	S	31.7	Very low	27.2	Very low	57 Å²	57	124.7 Å²	124.7	40%	0.399	63%	0.626	S	S	.	*	H	α-helix	trans	-71.7	-35.2	178.4	67.4	0	0	0	0	113.2	K82 V83 I84 K90	K82-S86 PolarHBondContact O-N 3.33Å; V83-S86 PolarHBondContact O-N 3.12Å; V83-S86 PolarHBondContact O-OG 3.34Å; I84-S86 PolarHBondContact O-N 2.85Å; S86-K90 WeakPolarHBondContact O-CG 3.18Å; S86-K90 PolarHBondContact O-N 3.47Å
87	E	31.2	Very low	27.2	Very low	95 Å²	95	127.1 Å²	127.1	44%	0.444	63%	0.634	S	S	.	*	H	α-helix	trans	-74.7	-41	176.7	-69.3	-53.4	138.7	0	0	111.8	V83 I84 N89 K90 V91	V83-E87 PolarHBondContact O-N 2.92Å; V83-E87 VanDerWaalsContact O-N 3.13Å; I84-E87 PolarHBondContact O-N 3.08Å; E87-N89 VanDerWaalsContact C-N 3.34Å; E87-N89 PolarHBondContact O-N 3.35Å; E87-K90 WeakPolarHBondContact O-CB 3.06Å; E87-K90 PolarHBondContact O-N 3.01Å; E87-K90 IonicContact OE1-NZ 3.88Å; E87-K90 PolarHBondContact OE1-NZ 3.3Å; E87-K90 WeakPolarHBondContact OE2-CD 3.31Å; E87-K90 IonicContact OE2-NZ 2.76Å; E87-K90 PolarHBondContact OE2-NZ 2.8Å; E87-V91 PolarHBondContact O-N 3.12Å
88	L	25.5	Very low	27	Very low	68 Å²	68	125.9 Å²	125.9	36%	0.356	63%	0.633	S	S	.	*	H	α-helix	trans	-60.8	-39.4	174.2	-100.4	143.5	0	0	0	112.9	Y52 I84 K90 V91 I92	Y52-L88 HydrophobicContact CE2-CD1 4.42Å; I84-L88 HydrophobicContact CG2-CD1 3.82Å; I84-L88 WeakPolarHBondContact O-CB 3.42Å; I84-L88 PolarHBondContact O-N 3.38Å; L88-K90 PolarHBondContact O-N 2.81Å; L88-V91 PolarHBondContact O-N 2.82Å; L88-I92 HydrophobicContact CD2-CD1 4.18Å; L88-I92 WeakPolarHBondContact O-CG1 3.2Å; L88-I92 PolarHBondContact O-N 3.44Å
89	N	27.4	Very low	26.9	Very low	102 Å²	102	125.3 Å²	125.3	55%	0.545	63%	0.631	S	S	.	*	H	α-helix	trans	-67.8	-19.1	176.2	-83.8	-33.4	0	0	0	113.8	I85 E87	I85-N89 WeakPolarHBondContact O-CB 3.45Å; I85-N89 PolarHBondContact O-N 2.94Å; I85-N89 VanDerWaalsContact O-N 3.13Å; I85-N89 PolarHBondContact O-ND2 2.68Å; E87-N89 VanDerWaalsContact C-N 3.34Å; E87-N89 PolarHBondContact O-N 3.35Å
90	K	29.5	Very low	26.7	Very low	134 Å²	134	124.5 Å²	124.5	58%	0.583	64%	0.635	S	S	*	*	H	α-helix	trans	-78	-36.1	172.9	-70.2	171.3	-174.4	171.7	0	111.8	S86 E87 L88	S86-K90 WeakPolarHBondContact O-CG 3.18Å; S86-K90 PolarHBondContact O-N 3.47Å; E87-K90 WeakPolarHBondContact O-CB 3.06Å; E87-K90 PolarHBondContact O-N 3.01Å; E87-K90 IonicContact OE1-NZ 3.88Å; E87-K90 PolarHBondContact OE1-NZ 3.3Å; E87-K90 WeakPolarHBondContact OE2-CD 3.31Å; E87-K90 IonicContact OE2-NZ 2.76Å; E87-K90 PolarHBondContact OE2-NZ 2.8Å; L88-K90 PolarHBondContact O-N 2.81Å
91	V	28.1	Very low	26.6	Very low	121 Å²	121	122.3 Å²	122.3	73%	0.733	63%	0.631	S	S	*	*	H	α-helix	trans	-71.4	-31.2	-179.9	-177.5	0	0	0	0	111.9	E87 L88 Q93	E87-V91 PolarHBondContact O-N 3.12Å; L88-V91 PolarHBondContact O-N 2.82Å; V91-Q93 VanDerWaalsContact C-N 3.35Å; V91-Q93 PolarHBondContact O-N 3.04Å
92	I	24.1	Very low	26.3	Very low	113 Å²	113	126.2 Å²	126.2	58%	0.579	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	2.6	-173.8	-59.6	168.7	0	0	0	113.1	L88 P94	L88-I92 HydrophobicContact CD2-CD1 4.18Å; L88-I92 WeakPolarHBondContact O-CG1 3.2Å; L88-I92 PolarHBondContact O-N 3.44Å; I92-P94 VanDerWaalsContact O-CD 3.24Å; I92-P94 WeakPolarHBondContact O-CD 3.13Å
93	Q	23.8	Very low	26.2	Very low	130 Å²	130	124 Å²	124	61%	0.607	64%	0.644	S	S	*	*			trans	-77.9	113.4	174.2	-74.7	-114	-3	0	0	111.2	V91 K95	V91-Q93 VanDerWaalsContact C-N 3.35Å; V91-Q93 PolarHBondContact O-N 3.04Å; Q93-K95 PolarHBondContact O-N 3.34Å
94	P	30.7	Very low	26	Very low	111 Å²	111	128.3 Å²	128.3	72%	0.721	66%	0.657	S	S	*	*			trans	-84.5	51.7	-168.8	35.7	-34.7	0	0	0	112.2	I92	I92-P94 VanDerWaalsContact O-CD 3.24Å; I92-P94 WeakPolarHBondContact O-CD 3.13Å
95	K	24.7	Very low	25.8	Very low	171 Å²	171	132.8 Å²	132.8	74%	0.743	68%	0.676	S	S	*	*			trans	-89.6	-3.5	-177	-85.3	-170.5	177.2	179.8	0	115.9	Q93	Q93-K95 PolarHBondContact O-N 3.34Å
96	E	25.2	Very low	25.7	Very low	186 Å²	186	134.3 Å²	134.3	87%	0.869	69%	0.692	S	S	*	*	S	Bend	trans	-114.5	4	-175.8	-65	-160.9	159.4	0	0	116.6	N98	E96-N98 VanDerWaalsContact C-N 3.29Å; E96-N98 PolarHBondContact O-N 2.65Å
97	L	25	Very low	25.2	Very low	158 Å²	158	138 Å²	138	83%	0.827	71%	0.712	S	S	*	*			trans	-82.3	-0.1	174.6	-88.7	156	0	0	0	114.8	R99	L97-R99 PolarHBondContact O-N 3.17Å
98	N	21.9	Very low	24.7	Very low	155 Å²	155	140.6 Å²	140.6	83%	0.829	73%	0.734	S	S	*	*			trans	-92.9	71	173.5	-76.9	-16.4	0	0	0	111.8	E96	E96-N98 VanDerWaalsContact C-N 3.29Å; E96-N98 PolarHBondContact O-N 2.65Å
99	R	22.6	Very low	24.5	Very low	229 Å²	229	145.6 Å²	145.6	86%	0.864	76%	0.756	S	S	*	*			trans	-128.8	110.1	154.3	-84.7	-171.2	177.2	175.6	1.9	109.7	L97 S101	L97-R99 PolarHBondContact O-N 3.17Å; R99-S101 PolarHBondContact O-N 3.12Å
100	P	23.4	Very low	24.2	Very low	122 Å²	122	150.9 Å²	150.9	79%	0.792	77%	0.768	S	S	*	*			trans	-71.7	121.9	176.6	29.1	-29.9	0	0	0	108.8
101	S	25.8	Very low	24	Very low	75 Å²	75	154.4 Å²	154.4	52%	0.524	78%	0.784	S	S	.	*			trans	-88.8	110.9	172.8	48.4	0	0	0	0	109.7	K36 R99 L103	K36-S101 PolarHBondContact NZ-OG 3.2Å; K36-S101 VanDerWaalsContact NZ-OG 3.15Å; R99-S101 PolarHBondContact O-N 3.12Å; S101-L103 PolarHBondContact O-N 3.24Å; S101-L103 VanDerWaalsContact O-N 3.12Å
102	D	23.4	Very low	23.6	Very low	158 Å²	158	151.7 Å²	151.7	85%	0.845	78%	0.78	S	S	*	*			trans	-65.9	96.2	171.9	-76.9	-38.9	0	0	0	111.1
103	L	23.5	Very low	23.6	Very low	140 Å²	140	155.9 Å²	155.9	73%	0.733	80%	0.797	S	S	*	*			trans	-140	69.9	166.1	-95.3	152.9	0	0	0	109.1	S101	S101-L103 PolarHBondContact O-N 3.24Å; S101-L103 VanDerWaalsContact O-N 3.12Å
104	H	21	Very low	23.7	Very low	181 Å²	181	159.4 Å²	159.4	84%	0.838	81%	0.81	S	S	*	*			trans	-108.4	114.1	162.5	-80.2	-59.7	0	0	0	108.9
105	Q	25.1	Very low	23.3	Very low	191 Å²	191	159.9 Å²	159.9	89%	0.893	81%	0.811	S	S	*	*				-162.9	131.6	129.7	-108.1	-178.2	27.1	0	0	112.3
106	P	25.4	Very low	23.5	Very low	123 Å²	123	159.5 Å²	159.5	80%	0.799	82%	0.817	S	S	*	*			trans	-103.4	134.7	-173.9	36.1	-28.3	0	0	0	112.9
107	T	21.1	Very low	23.7	Very low	134 Å²	134	155.1 Å²	155.1	82%	0.822	80%	0.799	S	S	*	*			trans	-131.8	84.3	173.3	-45.3	0	0	0	0	110.8
108	V	22.1	Very low	23.6	Very low	151 Å²	151	155.6 Å²	155.6	92%	0.915	80%	0.795	S	S	*	*			trans	-145	94.9	159.5	-170.3	0	0	0	0	109.5
109	Q	20.2	Very low	23.7	Very low	172 Å²	172	155.7 Å²	155.7	80%	0.804	79%	0.79	S	S	*	*			trans	-134.4	136.6	162.2	-110.9	-170.5	24.3	0	0	109.6
110	R	22.1	Very low	23.9	Very low	213 Å²	213	150 Å²	150	80%	0.804	78%	0.777	S	S	*	*			trans	79.8	110.5	168.6	-57.8	-177.8	-177.2	-164.8	-0.5	116.4
111	F	25.2	Very low	23.9	Very low	209 Å²	209	148.5 Å²	148.5	92%	0.917	76%	0.762	S	S	*	*				-179.9	125.4	118	-85.6	-71.5	0	0	0	105.6
112	G	19.5	Very low	23.7	Very low	63 Å²	63	152.3 Å²	152.3	65%	0.649	76%	0.764	S	S	*	*			cis	91.2	64.4	14.9	0	0	0	0	0	112.3
113	E	24.8	Very low	23.8	Very low	201 Å²	201	148.7 Å²	148.7	94%	0.939	75%	0.751	S	S	*	*			trans	-177.9	147.5	132.7	-103.2	175.6	-179.8	0	0	113.3
114	K	25.2	Very low	24	Very low	205 Å²	205	146.5 Å²	146.5	89%	0.891	74%	0.743	S	S	*	*			trans	-89	112.7	-163.4	-68.5	168.2	172.3	175.7	0	112.3
115	V	23	Very low	24.4	Very low	121 Å²	121	141.7 Å²	141.7	73%	0.733	72%	0.723	S	S	*	*	S	Bend	trans	-163	120.9	135.7	-177.1	0	0	0	0	106.9	N117	V115-N117 WeakPolarHBondContact O-CB 3.35Å; V115-N117 PolarHBondContact O-N 2.85Å
116	N	28.3	Very low	24.6	Very low	162 Å²	162	137.1 Å²	137.1	87%	0.866	70%	0.704	S	S	*	*	S	Bend	trans	18.9	26.3	166.5	-82.3	0.3	0	0	0	122.3	K118	N116-K118 PolarHBondContact O-N 3.25Å
117	N	29.5	Very low	24.8	Very low	94 Å²	94	133.8 Å²	133.8	50%	0.503	69%	0.687	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.1	-1.7	-174.1	-94.2	-17.6	0	0	0	114.2	V115 E119 N120 I121	V115-N117 WeakPolarHBondContact O-CB 3.35Å; V115-N117 PolarHBondContact O-N 2.85Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 2.95Å; N117-N120 PolarHBondContact O-N 2.89Å; N117-I121 HydrophobicContact CB-CD1 3.96Å; N117-I121 HydrophobicContact CB-CG1 4.4Å; N117-I121 WeakPolarHBondContact O-CB 3.44Å; N117-I121 WeakPolarHBondContact O-CD1 3.26Å; N117-I121 WeakPolarHBondContact O-CG1 3.47Å; N117-I121 PolarHBondContact O-N 2.92Å
118	K	22.6	Very low	25.4	Very low	168 Å²	168	131 Å²	131	73%	0.73	67%	0.667	S	S	*	*	H	α-helix	trans	-59.9	-42.3	-178.3	-93	-174.7	174.7	-178	0	112.2	N116 I121 W122	N116-K118 PolarHBondContact O-N 3.25Å; K118-I121 PolarHBondContact O-N 3.17Å; K118-W122 WeakPolarHBondContact O-CB 3.45Å; K118-W122 PolarHBondContact O-N 2.9Å
119	E	24.6	Very low	25.9	Very low	158 Å²	158	131.5 Å²	131.5	74%	0.738	65%	0.652	S	S	*	*	H	α-helix	trans	-67.5	-42.3	179.1	-74.2	178.6	158.7	0	0	112	N117 W122 C123	N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 2.95Å; E119-W122 PolarHBondContact O-N 3.37Å; E119-C123 WeakPolarHBondContact O-CB 3.27Å; E119-C123 PolarHBondContact O-N 3.34Å; E119-C123 PolarHBondContact O-SG 3.07Å
120	N	25.3	Very low	26.3	Very low	110 Å²	110	125.8 Å²	125.8	59%	0.588	64%	0.635	S	S	*	*	H	α-helix	trans	-66.6	-39.7	176.1	-86.9	-18.3	0	0	0	112.5	N117 T124	N117-N120 PolarHBondContact O-N 2.89Å; N120-T124 WeakPolarHBondContact O-CB 3.46Å; N120-T124 PolarHBondContact O-N 3.33Å; N120-T124 PolarHBondContact O-OG1 2.66Å
121	I	24.8	Very low	26.8	Very low	90 Å²	90	119.5 Å²	119.5	46%	0.462	62%	0.62	S	S	.	*	H	α-helix	trans	-67.3	-42.7	177.4	-68	165.7	0	0	0	110.5	N117 K118 T124 I125	N117-I121 HydrophobicContact CB-CD1 3.96Å; N117-I121 HydrophobicContact CB-CG1 4.4Å; N117-I121 WeakPolarHBondContact O-CB 3.44Å; N117-I121 WeakPolarHBondContact O-CD1 3.26Å; N117-I121 WeakPolarHBondContact O-CG1 3.47Å; N117-I121 PolarHBondContact O-N 2.92Å; K118-I121 PolarHBondContact O-N 3.17Å; I121-T124 PolarHBondContact O-N 2.84Å; I121-I125 HydrophobicContact CG2-CD1 3.56Å; I121-I125 HydrophobicContact CG2-CG1 4.19Å; I121-I125 WeakPolarHBondContact O-CB 3.26Å; I121-I125 VanDerWaalsContact O-CG1 3.26Å; I121-I125 WeakPolarHBondContact O-CG1 3.16Å; I121-I125 PolarHBondContact O-N 2.92Å
122	W	21.7	Very low	27.2	Very low	154 Å²	154	112.7 Å²	112.7	58%	0.583	59%	0.59	S	S	*	*	H	α-helix	trans	-62.8	-46.2	175.7	-90.2	107.5	0	0	0	112	K118 E119 T124 I125 L126	K118-W122 WeakPolarHBondContact O-CB 3.45Å; K118-W122 PolarHBondContact O-N 2.9Å; E119-W122 PolarHBondContact O-N 3.37Å; W122-T124 VanDerWaalsContact C-N 3.26Å; W122-T124 PolarHBondContact O-N 3.48Å; W122-I125 PolarHBondContact O-N 2.82Å; W122-L126 HydrophobicContact CE3-CD1 4.34Å; W122-L126 HydrophobicContact CE3-CG 4.33Å; W122-L126 VanDerWaalsContact O-CB 3.29Å; W122-L126 WeakPolarHBondContact O-CB 3.41Å; W122-L126 VanDerWaalsContact O-CG 3.29Å; W122-L126 WeakPolarHBondContact O-CG 3.42Å; W122-L126 PolarHBondContact O-N 3.36Å
123	C	24.4	Very low	27.8	Very low	82 Å²	82	113.6 Å²	113.6	55%	0.554	58%	0.579	S	S	*	*	H	α-helix	trans	-59.7	-37.9	174.4	-73.4	0	0	0	0	111.9	E119 A127	E119-C123 WeakPolarHBondContact O-CB 3.27Å; E119-C123 PolarHBondContact O-N 3.34Å; E119-C123 PolarHBondContact O-SG 3.07Å; C123-A127 WeakPolarHBondContact O-CB 3.08Å; C123-A127 PolarHBondContact O-N 3.38Å
124	T	28.2	Very low	28.2	Very low	94 Å²	94	106.2 Å²	106.2	58%	0.577	55%	0.553	S	S	*	*	H	α-helix	trans	-72	-42.8	178.4	-50.5	0	0	0	0	111.6	N120 I121 W122 A127 D128	N120-T124 WeakPolarHBondContact O-CB 3.46Å; N120-T124 PolarHBondContact O-N 3.33Å; N120-T124 PolarHBondContact O-OG1 2.66Å; I121-T124 PolarHBondContact O-N 2.84Å; W122-T124 VanDerWaalsContact C-N 3.26Å; W122-T124 PolarHBondContact O-N 3.48Å; T124-A127 PolarHBondContact O-N 3.23Å; T124-D128 WeakPolarHBondContact O-CB 3.39Å; T124-D128 PolarHBondContact O-N 2.78Å
125	I	29.7	Very low	28.5	Very low	80 Å²	80	100.4 Å²	100.4	41%	0.41	53%	0.531	S	S	.	.	H	α-helix	trans	-66.3	-40.8	177.1	-68.5	169.5	0	0	0	111	I121 W122 R129	I121-I125 HydrophobicContact CG2-CD1 3.56Å; I121-I125 HydrophobicContact CG2-CG1 4.19Å; I121-I125 WeakPolarHBondContact O-CB 3.26Å; I121-I125 VanDerWaalsContact O-CG1 3.26Å; I121-I125 WeakPolarHBondContact O-CG1 3.16Å; I121-I125 PolarHBondContact O-N 2.92Å; W122-I125 PolarHBondContact O-N 2.82Å; I125-R129 WeakPolarHBondContact O-CB 3.12Å; I125-R129 PolarHBondContact O-N 3.19Å
126	L	29.4	Very low	29	Very low	96 Å²	96	95.6 Å²	95.6	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-68.5	-42	176.8	-73.8	169.6	0	0	0	111.5	W122 R129 A130	W122-L126 HydrophobicContact CE3-CD1 4.34Å; W122-L126 HydrophobicContact CE3-CG 4.33Å; W122-L126 VanDerWaalsContact O-CB 3.29Å; W122-L126 WeakPolarHBondContact O-CB 3.41Å; W122-L126 VanDerWaalsContact O-CG 3.29Å; W122-L126 WeakPolarHBondContact O-CG 3.42Å; W122-L126 PolarHBondContact O-N 3.36Å; L126-R129 PolarHBondContact O-N 2.85Å; L126-A130 VanDerWaalsContact O-CB 3.22Å; L126-A130 WeakPolarHBondContact O-CB 3.24Å; L126-A130 PolarHBondContact O-N 2.93Å
127	A	28.4	Very low	29.3	Very low	52 Å²	52	94.4 Å²	94.4	43%	0.43	49%	0.492	S	S	.	.	H	α-helix	trans	-65.7	-41.9	174.5	0	0	0	0	0	111.8	C123 T124 A130 V131	C123-A127 WeakPolarHBondContact O-CB 3.08Å; C123-A127 PolarHBondContact O-N 3.38Å; T124-A127 PolarHBondContact O-N 3.23Å; A127-A130 PolarHBondContact O-N 3.47Å; A127-V131 WeakPolarHBondContact O-CB 3.44Å; A127-V131 WeakPolarHBondContact O-CG2 3.07Å; A127-V131 PolarHBondContact O-N 2.91Å
128	D	33.2	Very low	29.6	Very low	77 Å²	77	93.5 Å²	93.5	41%	0.412	49%	0.487	S	S	.	.	H	α-helix	trans	-64.4	-42.3	175.9	-174.7	57	0	0	0	111.2	T124 V131 K132	T124-D128 WeakPolarHBondContact O-CB 3.39Å; T124-D128 PolarHBondContact O-N 2.78Å; D128-V131 PolarHBondContact O-N 3.25Å; D128-K132 VanDerWaalsContact O-CB 3.25Å; D128-K132 WeakPolarHBondContact O-CB 3.41Å; D128-K132 WeakPolarHBondContact O-CD 3.12Å; D128-K132 WeakPolarHBondContact O-CG 3.31Å; D128-K132 PolarHBondContact O-N 3.32Å; D128-K132 WeakPolarHBondContact OD1-CE 3.32Å; D128-K132 IonicContact OD1-NZ 2.83Å; D128-K132 WeakPolarHBondContact OD2-CE 3.49Å; D128-K132 IonicContact OD2-NZ 3.68Å; D128-K132 PolarHBondContact OD2-NZ 2.94Å
129	R	32.8	Very low	30.1	Very low	161 Å²	161	88.6 Å²	88.6	61%	0.608	47%	0.468	S	S	*	.	H	α-helix	trans	-63	-43.2	170.5	-97.9	-176.2	-179.7	172	0.3	112.7	I125 L126 V131 K132 N133	I125-R129 WeakPolarHBondContact O-CB 3.12Å; I125-R129 PolarHBondContact O-N 3.19Å; L126-R129 PolarHBondContact O-N 2.85Å; R129-V131 VanDerWaalsContact C-N 3.35Å; R129-K132 PolarHBondContact O-N 2.93Å; R129-N133 VanDerWaalsContact O-CB 3.22Å; R129-N133 WeakPolarHBondContact O-CB 3.38Å; R129-N133 PolarHBondContact O-N 2.92Å; R129-N133 PolarHBondContact O-OD1 3.16Å
130	A	30	Very low	30.6	Very low	52 Å²	52	84.1 Å²	84.1	43%	0.43	45%	0.449	S	S	.	.	H	α-helix	trans	-64.8	-40.8	179	0	0	0	0	0	111.1	L126 A127 A134	L126-A130 VanDerWaalsContact O-CB 3.22Å; L126-A130 WeakPolarHBondContact O-CB 3.24Å; L126-A130 PolarHBondContact O-N 2.93Å; A127-A130 PolarHBondContact O-N 3.47Å; A130-A134 WeakPolarHBondContact O-CB 3.46Å; A130-A134 PolarHBondContact O-N 3.18Å
131	V	32	Very low	31.3	Very low	81 Å²	81	81.8 Å²	81.8	49%	0.491	44%	0.435	S	S	.	.	H	α-helix	trans	-67.6	-43	175	170.6	0	0	0	0	110.9	A127 D128 R129 A134 L135	A127-V131 WeakPolarHBondContact O-CB 3.44Å; A127-V131 WeakPolarHBondContact O-CG2 3.07Å; A127-V131 PolarHBondContact O-N 2.91Å; D128-V131 PolarHBondContact O-N 3.25Å; R129-V131 VanDerWaalsContact C-N 3.35Å; V131-A134 PolarHBondContact O-N 3.08Å; V131-L135 HydrophobicContact CG1-CD1 3.97Å; V131-L135 WeakPolarHBondContact O-CB 3.2Å; V131-L135 PolarHBondContact O-N 3.05Å
132	K	33.6	Very low	31.9	Very low	66 Å²	66	80.5 Å²	80.5	29%	0.287	43%	0.433	S	S	.	.	H	α-helix	trans	-64.4	-42.5	175.7	-77.3	168.9	174.7	172.1	0	112.3	Y26 D128 R129 A136	Y26-K132 HydrophobicContact CE1-CD 3.84Å; Y26-K132 HydrophobicContact CE1-CG 4.21Å; D128-K132 VanDerWaalsContact O-CB 3.25Å; D128-K132 WeakPolarHBondContact O-CB 3.41Å; D128-K132 WeakPolarHBondContact O-CD 3.12Å; D128-K132 WeakPolarHBondContact O-CG 3.31Å; D128-K132 PolarHBondContact O-N 3.32Å; D128-K132 WeakPolarHBondContact OD1-CE 3.32Å; D128-K132 IonicContact OD1-NZ 2.83Å; D128-K132 WeakPolarHBondContact OD2-CE 3.49Å; D128-K132 IonicContact OD2-NZ 3.68Å; D128-K132 PolarHBondContact OD2-NZ 2.94Å; R129-K132 PolarHBondContact O-N 2.93Å; K132-A136 VanDerWaalsContact O-CB 3.26Å; K132-A136 WeakPolarHBondContact O-CB 3.4Å; K132-A136 PolarHBondContact O-N 2.82Å
133	N	32.9	Very low	32.6	Very low	81 Å²	81	76.7 Å²	76.7	43%	0.433	42%	0.424	S	S	.	.	H	α-helix	trans	-67.7	-43	175.7	-70.9	-4.3	0	0	0	110.6	R129 A136 F137	R129-N133 VanDerWaalsContact O-CB 3.22Å; R129-N133 WeakPolarHBondContact O-CB 3.38Å; R129-N133 PolarHBondContact O-N 2.92Å; R129-N133 PolarHBondContact O-OD1 3.16Å; N133-A136 CarbonylContact O-C 3.59Å; N133-A136 WeakPolarHBondContact O-CB 3.31Å; N133-A136 PolarHBondContact O-N 3.13Å; N133-F137 WeakPolarHBondContact O-CB 3.13Å; N133-F137 WeakPolarHBondContact O-CD2 3.46Å; N133-F137 PolarHBondContact O-N 3.01Å
134	A	32.6	Very low	33.1	Very low	47 Å²	47	76.5 Å²	76.5	39%	0.388	42%	0.417	S	S	.	.	H	α-helix	trans	-62.4	-42.4	175.5	0	0	0	0	0	111.7	A130 V131 F137 D138	A130-A134 WeakPolarHBondContact O-CB 3.46Å; A130-A134 PolarHBondContact O-N 3.18Å; V131-A134 PolarHBondContact O-N 3.08Å; A134-F137 PolarHBondContact O-N 3.01Å; A134-D138 WeakPolarHBondContact O-CB 3.37Å; A134-D138 VanDerWaalsContact O-CG 3.24Å; A134-D138 PolarHBondContact O-N 2.75Å
135	L	32.2	Very low	33.7	Very low	82 Å²	82	76 Å²	76	43%	0.429	41%	0.41	S	S	.	.	H	α-helix	trans	-63.8	-40.6	171.7	-103.4	140.5	0	0	0	112.2	V131 F137 D138 I139	V131-L135 HydrophobicContact CG1-CD1 3.97Å; V131-L135 WeakPolarHBondContact O-CB 3.2Å; V131-L135 PolarHBondContact O-N 3.05Å; L135-F137 VanDerWaalsContact C-N 3.31Å; L135-D138 PolarHBondContact O-N 3.46Å; L135-I139 HydrophobicContact CD2-CD1 4.12Å; L135-I139 VanDerWaalsContact O-CB 3.27Å; L135-I139 WeakPolarHBondContact O-CB 3.44Å; L135-I139 WeakPolarHBondContact O-CD1 3.49Å; L135-I139 WeakPolarHBondContact O-CG1 3.4Å; L135-I139 PolarHBondContact O-N 3.34Å
136	A	33.2	Very low	34.1	Very low	21 Å²	21	75.3 Å²	75.3	17%	0.174	41%	0.405	C	S	.	.	H	α-helix	trans	-63.8	-39.2	175.9	0	0	0	0	0	111.4	L30 K132 N133 L140	L30-A136 HydrophobicContact CD2-CB 3.64Å; K132-A136 VanDerWaalsContact O-CB 3.26Å; K132-A136 WeakPolarHBondContact O-CB 3.4Å; K132-A136 PolarHBondContact O-N 2.82Å; N133-A136 CarbonylContact O-C 3.59Å; N133-A136 WeakPolarHBondContact O-CB 3.31Å; N133-A136 PolarHBondContact O-N 3.13Å; A136-L140 WeakPolarHBondContact O-CB 3.46Å; A136-L140 PolarHBondContact O-N 3.49Å
137	F	34.5	Very low	34.3	Very low	136 Å²	136	73.1 Å²	73.1	60%	0.596	39%	0.394	S	S	*	.	H	α-helix	trans	-67.5	-49.6	173	-82.5	-67.7	0	0	0	111.2	N133 A134 L135 I139 L140 E141	N133-F137 WeakPolarHBondContact O-CB 3.13Å; N133-F137 WeakPolarHBondContact O-CD2 3.46Å; N133-F137 PolarHBondContact O-N 3.01Å; A134-F137 PolarHBondContact O-N 3.01Å; L135-F137 VanDerWaalsContact C-N 3.31Å; F137-I139 VanDerWaalsContact C-N 3.28Å; F137-I139 PolarHBondContact O-N 3.05Å; F137-L140 CarbonylContact O-C 3.59Å; F137-L140 PolarHBondContact O-N 3.4Å; F137-E141 WeakPolarHBondContact O-CA 3.45Å; F137-E141 WeakPolarHBondContact O-CB 3.31Å; F137-E141 PolarHBondContact O-N 2.88Å
138	D	34.4	Very low	34.5	Very low	76 Å²	76	75.4 Å²	75.4	41%	0.406	40%	0.398	S	S	.	.	H	α-helix	trans	-58.4	-38.9	177.1	-71.7	-12.5	0	0	0	111.8	A134 L135 S142	A134-D138 WeakPolarHBondContact O-CB 3.37Å; A134-D138 VanDerWaalsContact O-CG 3.24Å; A134-D138 PolarHBondContact O-N 2.75Å; L135-D138 PolarHBondContact O-N 3.46Å; D138-S142 VanDerWaalsContact O-CB 3.25Å; D138-S142 WeakPolarHBondContact O-CB 3.32Å; D138-S142 PolarHBondContact O-N 2.78Å; D138-S142 PolarHBondContact O-OG 2.83Å
139	I	35	Very low	34.7	Very low	64 Å²	64	79.6 Å²	79.6	33%	0.328	41%	0.412	S	S	.	.	H	α-helix	trans	-72.1	-47.1	176.7	-68.2	165.2	0	0	0	110.4	I31 L135 F137 E141 S142 I143	I31-I139 HydrophobicContact CD1-CG2 3.72Å; L135-I139 HydrophobicContact CD2-CD1 4.12Å; L135-I139 VanDerWaalsContact O-CB 3.27Å; L135-I139 WeakPolarHBondContact O-CB 3.44Å; L135-I139 WeakPolarHBondContact O-CD1 3.49Å; L135-I139 WeakPolarHBondContact O-CG1 3.4Å; L135-I139 PolarHBondContact O-N 3.34Å; F137-I139 VanDerWaalsContact C-N 3.28Å; F137-I139 PolarHBondContact O-N 3.05Å; I139-E141 VanDerWaalsContact C-N 3.27Å; I139-E141 PolarHBondContact O-N 3.48Å; I139-S142 PolarHBondContact O-N 3.38Å; I139-I143 HydrophobicContact CG2-CD1 3.69Å; I139-I143 HydrophobicContact CG2-CG1 4.38Å; I139-I143 WeakPolarHBondContact O-CB 3.34Å; I139-I143 WeakPolarHBondContact O-CD1 3.5Å; I139-I143 WeakPolarHBondContact O-CG1 3.04Å; I139-I143 PolarHBondContact O-N 3.27Å
140	L	35	Very low	34.6	Very low	64 Å²	64	76.4 Å²	76.4	34%	0.335	40%	0.403	S	S	.	.	H	α-helix	trans	-60.4	-41	176.3	-172.7	79.7	0	0	0	110.6	A136 F137 I143 L144	A136-L140 WeakPolarHBondContact O-CB 3.46Å; A136-L140 PolarHBondContact O-N 3.49Å; F137-L140 CarbonylContact O-C 3.59Å; F137-L140 PolarHBondContact O-N 3.4Å; L140-I143 PolarHBondContact O-N 2.78Å; L140-L144 HydrophobicContact CD2-CD1 4.28Å; L140-L144 HydrophobicContact CG-CD1 3.95Å; L140-L144 HydrophobicContact CG-CG 4.49Å; L140-L144 VanDerWaalsContact O-CB 3.24Å; L140-L144 WeakPolarHBondContact O-CB 3.13Å; L140-L144 WeakPolarHBondContact O-CG 3.32Å; L140-L144 PolarHBondContact O-N 2.83Å
141	E	39.1	Very low	34.4	Very low	62 Å²	62	75.1 Å²	75.1	29%	0.29	39%	0.39	S	S	.	.	H	α-helix	trans	-67.9	-44.4	177.9	-169.6	-157.9	119.7	0	0	111.3	F137 I139 L144 L145 L224	F137-E141 WeakPolarHBondContact O-CA 3.45Å; F137-E141 WeakPolarHBondContact O-CB 3.31Å; F137-E141 PolarHBondContact O-N 2.88Å; I139-E141 VanDerWaalsContact C-N 3.27Å; I139-E141 PolarHBondContact O-N 3.48Å; E141-L144 PolarHBondContact O-N 3.5Å; E141-L145 HydrophobicContact CG-CD1 3.98Å; E141-L145 HydrophobicContact CG-CG 4.49Å; E141-L145 VanDerWaalsContact O-CB 3.23Å; E141-L145 WeakPolarHBondContact O-CB 3.47Å; E141-L145 VanDerWaalsContact O-CG 3.29Å; E141-L145 WeakPolarHBondContact O-CG 3.49Å; E141-L145 PolarHBondContact O-N 3.23Å; E141-L224 HydrophobicContact CG-CD2 4.33Å; E141-L224 WeakPolarHBondContact OE1-CD2 3.26Å
142	S	38.4	Very low	34.4	Very low	62 Å²	62	74.8 Å²	74.8	43%	0.434	39%	0.387	S	S	.	.	H	α-helix	trans	-62.1	-43.6	173	-65.2	0	0	0	0	111.4	D138 I139 L145 E146	D138-S142 VanDerWaalsContact O-CB 3.25Å; D138-S142 WeakPolarHBondContact O-CB 3.32Å; D138-S142 PolarHBondContact O-N 2.78Å; D138-S142 PolarHBondContact O-OG 2.83Å; I139-S142 PolarHBondContact O-N 3.38Å; S142-L145 PolarHBondContact O-N 2.98Å; S142-E146 WeakPolarHBondContact O-CB 3.41Å; S142-E146 WeakPolarHBondContact O-CG 3.21Å; S142-E146 PolarHBondContact O-N 3.41Å
143	I	35.5	Very low	34.1	Very low	74 Å²	74	75 Å²	75	38%	0.379	40%	0.396	S	S	.	.	H	α-helix	trans	-62.1	-44.9	175.3	-70.6	167.4	0	0	0	110.3	I31 I139 L140 L147	I31-I143 HydrophobicContact CD1-CD1 4.35Å; I139-I143 HydrophobicContact CG2-CD1 3.69Å; I139-I143 HydrophobicContact CG2-CG1 4.38Å; I139-I143 WeakPolarHBondContact O-CB 3.34Å; I139-I143 WeakPolarHBondContact O-CD1 3.5Å; I139-I143 WeakPolarHBondContact O-CG1 3.04Å; I139-I143 PolarHBondContact O-N 3.27Å; L140-I143 PolarHBondContact O-N 2.78Å; I143-L147 HydrophobicContact CG2-CD1 3.75Å; I143-L147 HydrophobicContact CG2-CG 4.47Å; I143-L147 WeakPolarHBondContact O-CB 3.04Å; I143-L147 WeakPolarHBondContact O-CD1 3.46Å; I143-L147 VanDerWaalsContact O-CG 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.39Å; I143-L147 PolarHBondContact O-N 3.31Å
144	L	35.9	Very low	33.8	Very low	79 Å²	79	72.4 Å²	72.4	41%	0.414	38%	0.384	S	S	.	.	H	α-helix	trans	-68.1	-40	178.9	-77.1	169.1	0	0	0	112	L140 E141 L147 I148	L140-L144 HydrophobicContact CD2-CD1 4.28Å; L140-L144 HydrophobicContact CG-CD1 3.95Å; L140-L144 HydrophobicContact CG-CG 4.49Å; L140-L144 VanDerWaalsContact O-CB 3.24Å; L140-L144 WeakPolarHBondContact O-CB 3.13Å; L140-L144 WeakPolarHBondContact O-CG 3.32Å; L140-L144 PolarHBondContact O-N 2.83Å; E141-L144 PolarHBondContact O-N 3.5Å; L144-L147 CarbonylContact O-C 3.6Å; L144-L147 PolarHBondContact O-N 2.88Å; L144-I148 VanDerWaalsContact O-CB 3.3Å; L144-I148 WeakPolarHBondContact O-CB 3.23Å; L144-I148 WeakPolarHBondContact O-CD1 3.42Å; L144-I148 WeakPolarHBondContact O-CG1 3.25Å; L144-I148 PolarHBondContact O-N 3.25Å
145	L	40.3	Very low	33.5	Very low	82 Å²	82	74.5 Å²	74.5	43%	0.429	39%	0.388	S	S	.	.	H	α-helix	trans	-67.6	-41.1	177.9	-81.5	166.9	0	0	0	111.6	E141 S142 I148 K149	E141-L145 HydrophobicContact CG-CD1 3.98Å; E141-L145 HydrophobicContact CG-CG 4.49Å; E141-L145 VanDerWaalsContact O-CB 3.23Å; E141-L145 WeakPolarHBondContact O-CB 3.47Å; E141-L145 VanDerWaalsContact O-CG 3.29Å; E141-L145 WeakPolarHBondContact O-CG 3.49Å; E141-L145 PolarHBondContact O-N 3.23Å; S142-L145 PolarHBondContact O-N 2.98Å; L145-I148 PolarHBondContact O-N 3.31Å; L145-K149 VanDerWaalsContact O-CB 3.28Å; L145-K149 WeakPolarHBondContact O-CB 3.28Å; L145-K149 WeakPolarHBondContact O-CG 3.36Å; L145-K149 PolarHBondContact O-N 3.28Å
146	E	37.3	Very low	33.2	Very low	66 Å²	66	76.1 Å²	76.1	31%	0.308	40%	0.395	S	S	.	.	H	α-helix	trans	-69.4	-43.1	172.9	-76.3	-151.5	158.5	0	0	112.2	S142 I148 K149 F150 T177	S142-E146 WeakPolarHBondContact O-CB 3.41Å; S142-E146 WeakPolarHBondContact O-CG 3.21Å; S142-E146 PolarHBondContact O-N 3.41Å; E146-I148 VanDerWaalsContact C-N 3.32Å; E146-I148 PolarHBondContact O-N 3.13Å; E146-K149 PolarHBondContact O-N 3.49Å; E146-F150 VanDerWaalsContact O-CB 3.29Å; E146-F150 WeakPolarHBondContact O-CB 3.23Å; E146-F150 PolarHBondContact O-N 2.9Å; E146-T177 WeakPolarHBondContact OE1-CG2 3.41Å; E146-T177 PolarHBondContact OE1-OG1 2.54Å; E146-T177 VanDerWaalsContact OE1-OG1 3.08Å; E146-T177 VanDerWaalsContact OE2-CB 3.24Å; E146-T177 WeakPolarHBondContact OE2-CB 3.21Å; E146-T177 WeakPolarHBondContact OE2-CG2 3.23Å; E146-T177 PolarHBondContact OE2-OG1 3.38Å
147	L	33.1	Very low	32.8	Very low	51 Å²	51	85 Å²	85	27%	0.267	42%	0.424	S	S	.	.	H	α-helix	trans	-53.7	-50.8	170	-87.1	165.4	0	0	0	109.6	I143 L144 F150 T151 F170	I143-L147 HydrophobicContact CG2-CD1 3.75Å; I143-L147 HydrophobicContact CG2-CG 4.47Å; I143-L147 WeakPolarHBondContact O-CB 3.04Å; I143-L147 WeakPolarHBondContact O-CD1 3.46Å; I143-L147 VanDerWaalsContact O-CG 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.39Å; I143-L147 PolarHBondContact O-N 3.31Å; L144-L147 CarbonylContact O-C 3.6Å; L144-L147 PolarHBondContact O-N 2.88Å; L147-F150 PolarHBondContact O-N 2.74Å; L147-T151 VanDerWaalsContact O-CA 3.27Å; L147-T151 WeakPolarHBondContact O-CA 3.26Å; L147-T151 WeakPolarHBondContact O-CB 3.14Å; L147-T151 PolarHBondContact O-N 2.86Å; L147-T151 PolarHBondContact O-OG1 3.37Å; L147-F170 HydrophobicContact CD2-CD2 4.13Å; L147-F170 HydrophobicContact CD2-CE2 3.43Å; L147-F170 VanDerWaalsContact CD2-CE2 3.43Å; L147-F170 HydrophobicContact CD2-CZ 4.31Å; L147-F170 HydrophobicContact CG-CE2 4.25Å
148	I	34.2	Very low	32.2	Very low	100 Å²	100	80.8 Å²	80.8	51%	0.513	41%	0.408	S	S	.	.	H	α-helix	trans	-65.2	-46.6	-178.5	-70.3	163.3	0	0	0	111	L144 L145 E146 F150 V152	L144-I148 VanDerWaalsContact O-CB 3.3Å; L144-I148 WeakPolarHBondContact O-CB 3.23Å; L144-I148 WeakPolarHBondContact O-CD1 3.42Å; L144-I148 WeakPolarHBondContact O-CG1 3.25Å; L144-I148 PolarHBondContact O-N 3.25Å; L145-I148 PolarHBondContact O-N 3.31Å; E146-I148 VanDerWaalsContact C-N 3.32Å; E146-I148 PolarHBondContact O-N 3.13Å; I148-F150 VanDerWaalsContact C-N 3.29Å; I148-F150 PolarHBondContact O-N 3.33Å; I148-V152 HydrophobicContact CG2-CG2 4Å; I148-V152 VanDerWaalsContact O-CB 3.23Å; I148-V152 WeakPolarHBondContact O-CB 3.29Å; I148-V152 WeakPolarHBondContact O-CG2 3.32Å; I148-V152 PolarHBondContact O-N 2.86Å
149	K	36.6	Very low	32	Very low	165 Å²	165	82.7 Å²	82.7	72%	0.717	42%	0.423	S	S	*	.	H	α-helix	trans	-60.7	-34.5	178.4	-84	-178.5	176.9	175.7	0	113.2	L145 E146 P153	L145-K149 VanDerWaalsContact O-CB 3.28Å; L145-K149 WeakPolarHBondContact O-CB 3.28Å; L145-K149 WeakPolarHBondContact O-CG 3.36Å; L145-K149 PolarHBondContact O-N 3.28Å; E146-K149 PolarHBondContact O-N 3.49Å; K149-P153 WeakPolarHBondContact O-CD 3.37Å; K149-P153 VanDerWaalsContact O-CG 3.26Å; K149-P153 WeakPolarHBondContact O-CG 3.35Å
150	F	30.7	Very low	31.8	Very low	94 Å²	94	88.3 Å²	88.3	41%	0.412	45%	0.449	S	S	.	.	H	α-helix	trans	-93.6	-40.8	-177.6	-135.3	-78.5	0	0	0	112.7	E146 L147 I148 S154 I169 T173	E146-F150 VanDerWaalsContact O-CB 3.29Å; E146-F150 WeakPolarHBondContact O-CB 3.23Å; E146-F150 PolarHBondContact O-N 2.9Å; L147-F150 PolarHBondContact O-N 2.74Å; I148-F150 VanDerWaalsContact C-N 3.29Å; I148-F150 PolarHBondContact O-N 3.33Å; F150-S154 WeakPolarHBondContact O-CB 3.4Å; F150-S154 PolarHBondContact O-N 3.48Å; F150-S154 PolarHBondContact O-OG 3.46Å; F150-I169 HydrophobicContact CD1-CG2 3.96Å; F150-I169 HydrophobicContact CE1-CG2 3.38Å; F150-I169 HydrophobicContact CZ-CG2 4.22Å; F150-T173 HydrophobicContact CD2-CG2 3.77Å; F150-T173 HydrophobicContact CE2-CG2 3.96Å; F150-T173 HydrophobicContact CG-CG2 4.27Å
151	T	26.7	Very low	31.4	Very low	25 Å²	25	87.4 Å²	87.4	15%	0.153	46%	0.456	C	S	.	.	H	α-helix	trans	-77.2	-30.1	-174.7	-44.4	0	0	0	0	110.4	L147 I155 F166	L147-T151 VanDerWaalsContact O-CA 3.27Å; L147-T151 WeakPolarHBondContact O-CA 3.26Å; L147-T151 WeakPolarHBondContact O-CB 3.14Å; L147-T151 PolarHBondContact O-N 2.86Å; L147-T151 PolarHBondContact O-OG1 3.37Å; T151-I155 HydrophobicContact CG2-CD1 3.27Å; T151-I155 HydrophobicContact CG2-CG1 3.71Å; T151-I155 WeakPolarHBondContact O-CA 2.86Å; T151-I155 WeakPolarHBondContact O-CB 3.32Å; T151-I155 WeakPolarHBondContact O-CD1 3.36Å; T151-I155 WeakPolarHBondContact O-CG1 3.07Å; T151-I155 PolarHBondContact O-N 2.85Å; T151-F166 HydrophobicContact CG2-CE2 3.84Å; T151-F166 HydrophobicContact CG2-CZ 4.2Å
152	V	30.6	Very low	30.8	Very low	73 Å²	73	92.1 Å²	92.1	44%	0.442	48%	0.478	S	S	.	.	H	α-helix	trans	-68.9	-51.5	176.9	173	0	0	0	0	112.3	I148 S154 I155 I156	I148-V152 HydrophobicContact CG2-CG2 4Å; I148-V152 VanDerWaalsContact O-CB 3.23Å; I148-V152 WeakPolarHBondContact O-CB 3.29Å; I148-V152 WeakPolarHBondContact O-CG2 3.32Å; I148-V152 PolarHBondContact O-N 2.86Å; V152-S154 VanDerWaalsContact C-N 3.26Å; V152-S154 PolarHBondContact O-N 3.47Å; V152-I155 PolarHBondContact O-N 3.35Å; V152-I156 HydrophobicContact CG1-CD1 4Å; V152-I156 WeakPolarHBondContact O-CB 3.32Å; V152-I156 WeakPolarHBondContact O-CD1 3.38Å; V152-I156 WeakPolarHBondContact O-CG1 3.34Å; V152-I156 PolarHBondContact O-N 3.01Å
153	P	28.2	Very low	30.3	Very low	72 Å²	72	97.3 Å²	97.3	47%	0.468	50%	0.495	S	S	.	.	H	α-helix	trans	-64.1	-32.8	174.7	-21.4	33.7	0	0	0	112.6	K149 R157	K149-P153 WeakPolarHBondContact O-CD 3.37Å; K149-P153 VanDerWaalsContact O-CG 3.26Å; K149-P153 WeakPolarHBondContact O-CG 3.35Å; P153-R157 PolarHBondContact O-N 2.97Å
154	S	25.8	Very low	30	Very low	25 Å²	25	101.8 Å²	101.8	18%	0.175	51%	0.512	C	S	.	.	H	α-helix	trans	-79.1	-35.6	-179.6	-58	0	0	0	0	112.7	F150 V152 I156 R157 L158	F150-S154 WeakPolarHBondContact O-CB 3.4Å; F150-S154 PolarHBondContact O-N 3.48Å; F150-S154 PolarHBondContact O-OG 3.46Å; V152-S154 VanDerWaalsContact C-N 3.26Å; V152-S154 PolarHBondContact O-N 3.47Å; S154-I156 VanDerWaalsContact C-N 3.3Å; S154-R157 CarbonylContact O-C 3.48Å; S154-R157 WeakPolarHBondContact O-CA 3.25Å; S154-R157 WeakPolarHBondContact O-CB 3.31Å; S154-R157 PolarHBondContact O-N 2.76Å; S154-R157 VanDerWaalsContact O-N 3.12Å; S154-L158 WeakPolarHBondContact O-CA 3.2Å; S154-L158 WeakPolarHBondContact O-CB 3.18Å; S154-L158 VanDerWaalsContact O-CD1 3.31Å; S154-L158 WeakPolarHBondContact O-CD1 3.48Å; S154-L158 WeakPolarHBondContact O-CG 3.28Å; S154-L158 PolarHBondContact O-N 3.2Å
155	I	26	Very low	29.7	Very low	92 Å²	92	101.5 Å²	101.5	47%	0.472	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-42.7	170	-77.4	166.2	0	0	0	109	T151 V152 R157 L158 T159	T151-I155 HydrophobicContact CG2-CD1 3.27Å; T151-I155 HydrophobicContact CG2-CG1 3.71Å; T151-I155 WeakPolarHBondContact O-CA 2.86Å; T151-I155 WeakPolarHBondContact O-CB 3.32Å; T151-I155 WeakPolarHBondContact O-CD1 3.36Å; T151-I155 WeakPolarHBondContact O-CG1 3.07Å; T151-I155 PolarHBondContact O-N 2.85Å; V152-I155 PolarHBondContact O-N 3.35Å; I155-R157 VanDerWaalsContact C-N 3.25Å; I155-R157 PolarHBondContact O-N 2.97Å; I155-L158 CarbonylContact O-C 3.57Å; I155-L158 PolarHBondContact O-N 3.27Å; I155-L158 VanDerWaalsContact O-N 3.14Å; I155-T159 PolarHBondContact O-N 3.38Å; I155-T159 PolarHBondContact O-OG1 3.39Å
156	I	26.8	Very low	29.1	Very low	115 Å²	115	101.1 Å²	101.1	59%	0.59	51%	0.509	S	S	*	.	H	α-helix	trans	-61	-35.9	173.9	-68.2	168.1	0	0	0	111	V152 S154 T159	V152-I156 HydrophobicContact CG1-CD1 4Å; V152-I156 WeakPolarHBondContact O-CB 3.32Å; V152-I156 WeakPolarHBondContact O-CD1 3.38Å; V152-I156 WeakPolarHBondContact O-CG1 3.34Å; V152-I156 PolarHBondContact O-N 3.01Å; S154-I156 VanDerWaalsContact C-N 3.3Å; I156-T159 PolarHBondContact O-OG1 2.8Å
157	R	23.9	Very low	28.9	Very low	208 Å²	208	102.9 Å²	102.9	79%	0.785	52%	0.519	S	S	*	.	H	α-helix	trans	-75.6	-34	171.9	-109.1	179.4	166.4	-179.1	-3.7	113.9	P153 S154 I155 M160	P153-R157 PolarHBondContact O-N 2.97Å; S154-R157 CarbonylContact O-C 3.48Å; S154-R157 WeakPolarHBondContact O-CA 3.25Å; S154-R157 WeakPolarHBondContact O-CB 3.31Å; S154-R157 PolarHBondContact O-N 2.76Å; S154-R157 VanDerWaalsContact O-N 3.12Å; I155-R157 VanDerWaalsContact C-N 3.25Å; I155-R157 PolarHBondContact O-N 2.97Å; R157-M160 WeakPolarHBondContact O-CA 3.06Å; R157-M160 WeakPolarHBondContact O-CB 3.14Å; R157-M160 PolarHBondContact O-N 2.81Å
158	L	23.5	Very low	29.1	Very low	48 Å²	48	105.3 Å²	105.3	25%	0.251	53%	0.532	S	S	.	.	H	α-helix	trans	-82.8	-20.8	-174.7	-79.3	159.2	0	0	0	112.3	S154 I155 M160 G161 F166	S154-L158 WeakPolarHBondContact O-CA 3.2Å; S154-L158 WeakPolarHBondContact O-CB 3.18Å; S154-L158 VanDerWaalsContact O-CD1 3.31Å; S154-L158 WeakPolarHBondContact O-CD1 3.48Å; S154-L158 WeakPolarHBondContact O-CG 3.28Å; S154-L158 PolarHBondContact O-N 3.2Å; I155-L158 CarbonylContact O-C 3.57Å; I155-L158 PolarHBondContact O-N 3.27Å; I155-L158 VanDerWaalsContact O-N 3.14Å; L158-M160 PolarHBondContact O-N 2.5Å; L158-G161 PolarHBondContact O-N 3.49Å; L158-F166 HydrophobicContact CD1-CB 4.1Å; L158-F166 HydrophobicContact CD1-CD2 3.69Å; L158-F166 HydrophobicContact CD1-CG 4.3Å
159	T	29.8	Very low	29	Very low	116 Å²	116	103.5 Å²	103.5	71%	0.712	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-14.4	157.5	21.8	0	0	0	0	112.3	I155 I156	I155-T159 PolarHBondContact O-N 3.38Å; I155-T159 PolarHBondContact O-OG1 3.39Å; I156-T159 PolarHBondContact O-OG1 2.8Å
160	M	30.9	Very low	29	Very low	181 Å²	181	99.3 Å²	99.3	89%	0.892	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	14.5	171.9	-62.9	-159.7	173.9	0	0	116.1	R157 L158	R157-M160 WeakPolarHBondContact O-CA 3.06Å; R157-M160 WeakPolarHBondContact O-CB 3.14Å; R157-M160 PolarHBondContact O-N 2.81Å; L158-M160 PolarHBondContact O-N 2.5Å
161	G	26.4	Very low	29.4	Very low	46 Å²	46	101 Å²	101	47%	0.474	51%	0.514	S	S	.	.	S	Bend	trans	119.6	141.6	157.6	0	0	0	0	0	116.9	L158	L158-G161 PolarHBondContact O-N 3.49Å
162	E	26.9	Very low	30	Very low	161 Å²	161	106 Å²	106	75%	0.752	53%	0.534	S	S	*	.			trans	86.8	87.1	164.1	-54.7	-171.2	175.1	0	0	118.2	F164 V165	E162-F164 PolarHBondContact O-N 3.29Å; E162-F164 VanDerWaalsContact O-N 3.12Å; E162-V165 PolarHBondContact O-N 2.76Å
163	E	28.2	Very low	30.2	Very low	171 Å²	171	103.4 Å²	103.4	80%	0.799	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-27.8	175	-156.2	172.5	-162.9	0	0	115.5	V165 F166	E163-V165 VanDerWaalsContact C-N 3.26Å; E163-V165 PolarHBondContact O-N 3.38Å; E163-F166 PolarHBondContact O-N 3.38Å
164	F	28.5	Very low	30.7	Very low	167 Å²	167	103.6 Å²	103.6	73%	0.732	52%	0.515	S	S	*	.	H	α-helix	trans	-69.3	-23.1	-177.8	-153.8	-93.6	0	0	0	113.2	E162	E162-F164 PolarHBondContact O-N 3.29Å; E162-F164 VanDerWaalsContact O-N 3.12Å
165	V	28.7	Very low	31.4	Very low	74 Å²	74	106.2 Å²	106.2	45%	0.448	53%	0.533	S	S	.	.	H	α-helix	trans	-74.8	-28.9	177.9	178.4	0	0	0	0	111.3	E162 E163 I169	E162-V165 PolarHBondContact O-N 2.76Å; E163-V165 VanDerWaalsContact C-N 3.26Å; E163-V165 PolarHBondContact O-N 3.38Å; V165-I169 HydrophobicContact CG1-CD1 3.44Å; V165-I169 VanDerWaalsContact CG1-CD1 3.44Å; V165-I169 HydrophobicContact CG1-CG1 4.1Å; V165-I169 WeakPolarHBondContact O-CB 3.15Å; V165-I169 VanDerWaalsContact O-CG1 3.25Å; V165-I169 WeakPolarHBondContact O-CG1 3.14Å; V165-I169 PolarHBondContact O-N 3.18Å; V165-I169 VanDerWaalsContact O-N 3.13Å
166	F	28.3	Very low	32	Very low	74 Å²	74	107 Å²	107	33%	0.325	53%	0.534	S	S	.	.	H	α-helix	trans	-65	-46.4	-177.6	-176.9	-100.2	0	0	0	112.5	T151 L158 E163 I169 F170	T151-F166 HydrophobicContact CG2-CE2 3.84Å; T151-F166 HydrophobicContact CG2-CZ 4.2Å; L158-F166 HydrophobicContact CD1-CB 4.1Å; L158-F166 HydrophobicContact CD1-CD2 3.69Å; L158-F166 HydrophobicContact CD1-CG 4.3Å; E163-F166 PolarHBondContact O-N 3.38Å; F166-I169 PolarHBondContact O-N 3.38Å; F166-F170 VanDerWaalsContact O-CB 3.23Å; F166-F170 WeakPolarHBondContact O-CB 3.27Å; F166-F170 PolarHBondContact O-N 3.38Å
167	I	33.5	Very low	32.4	Very low	102 Å²	102	102.5 Å²	102.5	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-64	-47.5	-177.3	-61.7	176.9	0	0	0	110.8	I169 F170 E171	I167-I169 VanDerWaalsContact C-N 3.33Å; I167-I169 PolarHBondContact O-N 3.28Å; I167-F170 PolarHBondContact O-N 2.62Å; I167-E171 PolarHBondContact O-N 2.9Å
168	N	37.1	Very low	32.9	Very low	102 Å²	102	96.9 Å²	96.9	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-63.3	-37.6	179.4	-102.8	-16.6	0	0	0	112.8	K172	N168-K172 WeakPolarHBondContact O-CB 3.18Å; N168-K172 PolarHBondContact O-N 2.79Å
169	I	32.4	Very low	33.7	Very low	63 Å²	63	101.7 Å²	101.7	32%	0.323	52%	0.516	S	S	.	.	H	α-helix	trans	-71.6	-44.1	177.2	-70.4	179.7	0	0	0	110.2	F150 V165 F166 I167 E171 K172 T173	F150-I169 HydrophobicContact CD1-CG2 3.96Å; F150-I169 HydrophobicContact CE1-CG2 3.38Å; F150-I169 HydrophobicContact CZ-CG2 4.22Å; V165-I169 HydrophobicContact CG1-CD1 3.44Å; V165-I169 VanDerWaalsContact CG1-CD1 3.44Å; V165-I169 HydrophobicContact CG1-CG1 4.1Å; V165-I169 WeakPolarHBondContact O-CB 3.15Å; V165-I169 VanDerWaalsContact O-CG1 3.25Å; V165-I169 WeakPolarHBondContact O-CG1 3.14Å; V165-I169 PolarHBondContact O-N 3.18Å; V165-I169 VanDerWaalsContact O-N 3.13Å; F166-I169 PolarHBondContact O-N 3.38Å; I167-I169 VanDerWaalsContact C-N 3.33Å; I167-I169 PolarHBondContact O-N 3.28Å; I169-E171 PolarHBondContact O-N 2.78Å; I169-K172 PolarHBondContact O-N 2.9Å; I169-T173 PolarHBondContact O-N 2.98Å; I169-T173 PolarHBondContact O-OG1 3.43Å
170	F	35.2	Very low	34	Very low	77 Å²	77	101.7 Å²	101.7	34%	0.338	51%	0.508	S	S	.	.	H	α-helix	trans	-58.6	-46.8	179.9	-176	-107	0	0	0	112.3	L147 F166 I167 K172 T173 I174	L147-F170 HydrophobicContact CD2-CD2 4.13Å; L147-F170 HydrophobicContact CD2-CE2 3.43Å; L147-F170 VanDerWaalsContact CD2-CE2 3.43Å; L147-F170 HydrophobicContact CD2-CZ 4.31Å; L147-F170 HydrophobicContact CG-CE2 4.25Å; F166-F170 VanDerWaalsContact O-CB 3.23Å; F166-F170 WeakPolarHBondContact O-CB 3.27Å; F166-F170 PolarHBondContact O-N 3.38Å; I167-F170 PolarHBondContact O-N 2.62Å; F170-K172 VanDerWaalsContact C-N 3.33Å; F170-K172 PolarHBondContact O-N 2.77Å; F170-T173 PolarHBondContact O-N 3.39Å; F170-I174 HydrophobicContact CD1-CD1 4.32Å; F170-I174 HydrophobicContact CE1-CD1 3.62Å; F170-I174 HydrophobicContact CE2-CD1 4.11Å; F170-I174 HydrophobicContact CE2-CG1 4.45Å; F170-I174 HydrophobicContact CZ-CD1 3.51Å; F170-I174 HydrophobicContact CZ-CG1 4.32Å; F170-I174 PolarHBondContact O-N 3.06Å; F170-I174 VanDerWaalsContact O-N 3.11Å
171	E	39.9	Very low	34	Very low	129 Å²	129	99.1 Å²	99.1	60%	0.603	50%	0.497	S	S	*	.	H	α-helix	trans	-62.8	-39.5	176.3	-73.4	-172.4	163.2	0	0	112.4	I167 I169 S175	I167-E171 PolarHBondContact O-N 2.9Å; I169-E171 PolarHBondContact O-N 2.78Å; E171-S175 PolarHBondContact O-N 3.4Å
172	K	39.5	Very low	34.3	Very low	130 Å²	130	101.2 Å²	101.2	57%	0.565	50%	0.501	S	S	*	.	H	α-helix	trans	-66.1	-44.3	177.9	-171.9	-178.8	174.3	-169.6	0	111.8	N168 I169 F170 S175 E176	N168-K172 WeakPolarHBondContact O-CB 3.18Å; N168-K172 PolarHBondContact O-N 2.79Å; I169-K172 PolarHBondContact O-N 2.9Å; F170-K172 VanDerWaalsContact C-N 3.33Å; F170-K172 PolarHBondContact O-N 2.77Å; K172-S175 WeakPolarHBondContact O-CB 3.17Å; K172-S175 PolarHBondContact O-N 2.87Å; K172-E176 WeakPolarHBondContact CE-OE1 3.33Å; K172-E176 IonicContact NZ-OE1 3.17Å; K172-E176 PolarHBondContact O-N 2.85Å
173	T	35.5	Very low	34.7	Very low	18 Å²	18	98.6 Å²	98.6	11%	0.11	50%	0.496	C	S	.	.	H	α-helix	trans	-62.9	-47.6	-179.5	-56.4	0	0	0	0	111.1	F150 I169 F170 S175 E176 T177	F150-T173 HydrophobicContact CD2-CG2 3.77Å; F150-T173 HydrophobicContact CE2-CG2 3.96Å; F150-T173 HydrophobicContact CG-CG2 4.27Å; I169-T173 PolarHBondContact O-N 2.98Å; I169-T173 PolarHBondContact O-OG1 3.43Å; F170-T173 PolarHBondContact O-N 3.39Å; T173-S175 PolarHBondContact O-N 3.37Å; T173-E176 PolarHBondContact O-N 2.83Å; T173-E176 VanDerWaalsContact O-N 3.12Å; T173-T177 PolarHBondContact O-N 2.68Å; T173-T177 PolarHBondContact O-OG1 2.69Å
174	I	37	Very low	34.8	Very low	77 Å²	77	95.7 Å²	95.7	40%	0.395	49%	0.486	S	S	.	.	H	α-helix	trans	-56	-41.5	176	-73.1	-169.5	0	0	0	111.4	F170 I178	F170-I174 HydrophobicContact CD1-CD1 4.32Å; F170-I174 HydrophobicContact CE1-CD1 3.62Å; F170-I174 HydrophobicContact CE2-CD1 4.11Å; F170-I174 HydrophobicContact CE2-CG1 4.45Å; F170-I174 HydrophobicContact CZ-CD1 3.51Å; F170-I174 HydrophobicContact CZ-CG1 4.32Å; F170-I174 PolarHBondContact O-N 3.06Å; F170-I174 VanDerWaalsContact O-N 3.11Å; I174-I178 HydrophobicContact CG2-CD1 3.73Å; I174-I178 HydrophobicContact CG2-CG1 4.46Å; I174-I178 WeakPolarHBondContact O-CB 2.77Å; I174-I178 VanDerWaalsContact O-CG1 3.23Å; I174-I178 WeakPolarHBondContact O-CG1 3.03Å; I174-I178 PolarHBondContact O-N 3.45Å
175	S	40.8	Very low	34.8	Very low	80 Å²	80	94 Å²	94	56%	0.559	48%	0.48	S	S	*	.	H	α-helix	trans	-66.3	-39.8	-180	-152.2	0	0	0	0	112.5	E171 K172 T173 K179	E171-S175 PolarHBondContact O-N 3.4Å; K172-S175 WeakPolarHBondContact O-CB 3.17Å; K172-S175 PolarHBondContact O-N 2.87Å; T173-S175 PolarHBondContact O-N 3.37Å; S175-K179 PolarHBondContact O-N 2.84Å
176	E	39.5	Very low	34.8	Very low	107 Å²	107	100.4 Å²	100.4	50%	0.5	50%	0.498	S	S	.	.	H	α-helix	trans	-68.4	-44.1	176.7	-74.7	178.3	178.3	0	0	112	K172 T173 I178 K179 E180	K172-E176 WeakPolarHBondContact CE-OE1 3.33Å; K172-E176 IonicContact NZ-OE1 3.17Å; K172-E176 PolarHBondContact O-N 2.85Å; T173-E176 PolarHBondContact O-N 2.83Å; T173-E176 VanDerWaalsContact O-N 3.12Å; E176-I178 PolarHBondContact O-N 2.84Å; E176-K179 CarbonylContact O-C 3.42Å; E176-K179 WeakPolarHBondContact O-CA 3.14Å; E176-K179 VanDerWaalsContact O-CB 3.24Å; E176-K179 WeakPolarHBondContact O-CB 3.09Å; E176-K179 PolarHBondContact O-N 3.36Å; E176-K179 VanDerWaalsContact O-N 3.09Å; E176-E180 PolarHBondContact O-N 2.88Å
177	T	34.8	Very low	35.1	Very low	22 Å²	22	102.3 Å²	102.3	14%	0.135	51%	0.511	C	S	.	.	H	α-helix	trans	-61.8	-44.4	177.7	-53.9	0	0	0	0	112.2	E146 T173 K179 E180 L181	E146-T177 WeakPolarHBondContact OE1-CG2 3.41Å; E146-T177 PolarHBondContact OE1-OG1 2.54Å; E146-T177 VanDerWaalsContact OE1-OG1 3.08Å; E146-T177 VanDerWaalsContact OE2-CB 3.24Å; E146-T177 WeakPolarHBondContact OE2-CB 3.21Å; E146-T177 WeakPolarHBondContact OE2-CG2 3.23Å; E146-T177 PolarHBondContact OE2-OG1 3.38Å; T173-T177 PolarHBondContact O-N 2.68Å; T173-T177 PolarHBondContact O-OG1 2.69Å; T177-K179 PolarHBondContact O-N 2.74Å; T177-E180 PolarHBondContact O-N 3.42Å; T177-L181 HydrophobicContact CG2-CD1 3.94Å; T177-L181 HydrophobicContact CG2-CG 4.4Å; T177-L181 WeakPolarHBondContact O-CB 3.31Å; T177-L181 VanDerWaalsContact O-CG 3.31Å; T177-L181 WeakPolarHBondContact O-CG 3.18Å; T177-L181 PolarHBondContact O-N 3.46Å
178	I	34.7	Very low	35.1	Very low	90 Å²	90	103.1 Å²	103.1	46%	0.462	52%	0.516	S	S	.	.	H	α-helix	trans	-59.5	-39.3	175.6	-70.9	169.7	0	0	0	110.2	I174 E176 T182	I174-I178 HydrophobicContact CG2-CD1 3.73Å; I174-I178 HydrophobicContact CG2-CG1 4.46Å; I174-I178 WeakPolarHBondContact O-CB 2.77Å; I174-I178 VanDerWaalsContact O-CG1 3.23Å; I174-I178 WeakPolarHBondContact O-CG1 3.03Å; I174-I178 PolarHBondContact O-N 3.45Å; E176-I178 PolarHBondContact O-N 2.84Å; I178-T182 PolarHBondContact O-N 3.41Å; I178-T182 PolarHBondContact O-OG1 2.89Å
179	K	39.6	Very low	34.7	Very low	148 Å²	148	106 Å²	106	64%	0.643	53%	0.526	S	S	*	.	H	α-helix	trans	-66.9	-42.4	177.4	-138.2	177.6	-174.7	-179.9	0	111.8	S175 E176 T177 T182 T183	S175-K179 PolarHBondContact O-N 2.84Å; E176-K179 CarbonylContact O-C 3.42Å; E176-K179 WeakPolarHBondContact O-CA 3.14Å; E176-K179 VanDerWaalsContact O-CB 3.24Å; E176-K179 WeakPolarHBondContact O-CB 3.09Å; E176-K179 PolarHBondContact O-N 3.36Å; E176-K179 VanDerWaalsContact O-N 3.09Å; T177-K179 PolarHBondContact O-N 2.74Å; K179-T182 WeakPolarHBondContact CA-OG1 3.48Å; K179-T182 PolarHBondContact O-N 3.31Å; K179-T182 PolarHBondContact O-OG1 3.18Å; K179-T182 VanDerWaalsContact O-OG1 3.06Å; K179-T183 WeakPolarHBondContact O-CB 3.45Å; K179-T183 PolarHBondContact O-N 3.45Å; K179-T183 PolarHBondContact O-OG1 3.31Å
180	E	37.2	Very low	34.9	Very low	117 Å²	117	110 Å²	110	55%	0.547	54%	0.539	S	S	.	.	H	α-helix	trans	-67.2	-40.6	178.6	-162.8	170.7	-165.5	0	0	111.5	E176 T177 T182 T183 N184	E176-E180 PolarHBondContact O-N 2.88Å; T177-E180 PolarHBondContact O-N 3.42Å; E180-T182 VanDerWaalsContact C-N 3.31Å; E180-T182 PolarHBondContact O-N 2.97Å; E180-T183 PolarHBondContact O-N 3.04Å; E180-N184 WeakPolarHBondContact O-CB 3.3Å; E180-N184 PolarHBondContact O-N 2.87Å
181	L	31.3	Very low	34.8	Very low	127 Å²	127	113 Å²	113	67%	0.665	55%	0.551	S	S	*	*	H	α-helix	trans	-62.3	-35	172.7	-75.3	167.6	0	0	0	112.7	T177	T177-L181 HydrophobicContact CG2-CD1 3.94Å; T177-L181 HydrophobicContact CG2-CG 4.4Å; T177-L181 WeakPolarHBondContact O-CB 3.31Å; T177-L181 VanDerWaalsContact O-CG 3.31Å; T177-L181 WeakPolarHBondContact O-CG 3.18Å; T177-L181 PolarHBondContact O-N 3.46Å
182	T	31.6	Very low	34.9	Very low	89 Å²	89	111.5 Å²	111.5	55%	0.546	55%	0.546	S	S	.	.	H	α-helix	trans	-77.7	-30.1	175	24.3	0	0	0	0	113.1	I178 K179 E180	I178-T182 PolarHBondContact O-N 3.41Å; I178-T182 PolarHBondContact O-OG1 2.89Å; K179-T182 WeakPolarHBondContact CA-OG1 3.48Å; K179-T182 PolarHBondContact O-N 3.31Å; K179-T182 PolarHBondContact O-OG1 3.18Å; K179-T182 VanDerWaalsContact O-OG1 3.06Å; E180-T182 VanDerWaalsContact C-N 3.31Å; E180-T182 PolarHBondContact O-N 2.97Å
183	T	35.6	Very low	34.8	Very low	107 Å²	107	109.6 Å²	109.6	66%	0.656	54%	0.542	S	S	*	.	H	α-helix	trans	-81.6	-30.2	-177	-45.3	0	0	0	0	112.2	K179 E180 E185	K179-T183 WeakPolarHBondContact O-CB 3.45Å; K179-T183 PolarHBondContact O-N 3.45Å; K179-T183 PolarHBondContact O-OG1 3.31Å; E180-T183 PolarHBondContact O-N 3.04Å; T183-E185 PolarHBondContact O-N 3.4Å
184	N	29.6	Very low	35	Very low	110 Å²	110	115.5 Å²	115.5	59%	0.588	56%	0.562	S	S	*	*			trans	-81.4	42.5	179.4	-81.8	-33.3	0	0	0	114	E180 Y186	E180-N184 WeakPolarHBondContact O-CB 3.3Å; E180-N184 PolarHBondContact O-N 2.87Å; N184-Y186 PolarHBondContact O-N 3Å
185	E	29.8	Very low	35	Very low	130 Å²	130	117.3 Å²	117.3	61%	0.607	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	1.6	168.9	-140.3	170.7	-149.2	0	0	112.6	K20 T183	K20-E185 IonicContact NZ-OE1 3.97Å; K20-E185 PolarHBondContact NZ-OE1 2.94Å; T183-E185 PolarHBondContact O-N 3.4Å
186	Y	28.4	Very low	35	Very low	210 Å²	210	118.2 Å²	118.2	82%	0.824	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-2.2	-169.5	-137	-92.9	0	0	0	117	N184 L188	N184-Y186 PolarHBondContact O-N 3Å; Y186-L188 PolarHBondContact O-N 3.01Å; Y186-L188 VanDerWaalsContact O-N 3.1Å
187	N	33.2	Very low	34.9	Very low	113 Å²	113	120.4 Å²	120.4	60%	0.604	57%	0.573	S	S	*	*			trans	-91.6	48.6	179.2	-96.4	-22	0	0	0	113.8	Q189 Y190 K191	N187-Q189 PolarHBondContact O-N 3.45Å; N187-Y190 WeakPolarHBondContact O-CA 3.38Å; N187-Y190 VanDerWaalsContact O-CB 3.24Å; N187-Y190 WeakPolarHBondContact O-CB 3.12Å; N187-Y190 PolarHBondContact O-N 3.33Å; N187-K191 PolarHBondContact O-N 3.48Å; N187-K191 VanDerWaalsContact O-N 3.1Å
188	L	33.8	Very low	34.9	Very low	119 Å²	119	123.5 Å²	123.5	62%	0.623	59%	0.588	S	S	*	*	H	α-helix	trans	-56	-32.4	170.3	-158.4	80.1	0	0	0	111.8	Y186 Y190 K191 I192	Y186-L188 PolarHBondContact O-N 3.01Å; Y186-L188 VanDerWaalsContact O-N 3.1Å; L188-Y190 VanDerWaalsContact C-N 3.34Å; L188-K191 WeakPolarHBondContact O-CB 3.3Å; L188-K191 PolarHBondContact O-N 2.86Å; L188-I192 WeakPolarHBondContact O-CG1 2.86Å; L188-I192 PolarHBondContact O-N 3.35Å
189	Q	29.9	Very low	35.1	Very low	163 Å²	163	126.1 Å²	126.1	76%	0.762	60%	0.596	S	S	*	*	H	α-helix	trans	-63.8	-37.6	171.7	-73.7	-160.7	-9.3	0	0	112.4	N187 K191 I192 L193	N187-Q189 PolarHBondContact O-N 3.45Å; Q189-K191 VanDerWaalsContact C-N 3.35Å; Q189-I192 PolarHBondContact O-N 2.99Å; Q189-L193 WeakPolarHBondContact O-CB 3.27Å; Q189-L193 PolarHBondContact O-N 3.3Å
190	Y	36	Very low	34.8	Very low	147 Å²	147	125.9 Å²	125.9	58%	0.576	60%	0.599	S	S	*	*	H	α-helix	trans	-67.5	-37.1	175.7	-144.9	-82.7	0	0	0	111	N187 L188 L193 R194	N187-Y190 WeakPolarHBondContact O-CA 3.38Å; N187-Y190 VanDerWaalsContact O-CB 3.24Å; N187-Y190 WeakPolarHBondContact O-CB 3.12Å; N187-Y190 PolarHBondContact O-N 3.33Å; L188-Y190 VanDerWaalsContact C-N 3.34Å; Y190-L193 PolarHBondContact O-N 2.94Å; Y190-R194 WeakPolarHBondContact O-CB 3.17Å; Y190-R194 PolarHBondContact O-N 3.37Å
191	K	34	Very low	34.5	Very low	140 Å²	140	122.7 Å²	122.7	61%	0.609	59%	0.585	S	S	*	*	H	α-helix	trans	-62.3	-41.5	172	-105.2	179.5	179.6	173.7	0	112.4	N187 L188 Q189 M195	N187-K191 PolarHBondContact O-N 3.48Å; N187-K191 VanDerWaalsContact O-N 3.1Å; L188-K191 WeakPolarHBondContact O-CB 3.3Å; L188-K191 PolarHBondContact O-N 2.86Å; Q189-K191 VanDerWaalsContact C-N 3.35Å; K191-M195 WeakPolarHBondContact O-CB 3.28Å; K191-M195 PolarHBondContact O-N 3.3Å
192	I	40.4	Very low	34.3	Very low	97 Å²	97	118.2 Å²	118.2	50%	0.497	57%	0.569	S	S	.	*	H	α-helix	trans	-68.5	-45.3	177.6	-66.7	169.2	0	0	0	110.9	L188 Q189 R194 M195 N196	L188-I192 WeakPolarHBondContact O-CG1 2.86Å; L188-I192 PolarHBondContact O-N 3.35Å; Q189-I192 PolarHBondContact O-N 2.99Å; I192-R194 VanDerWaalsContact C-N 3.32Å; I192-R194 PolarHBondContact O-N 2.71Å; I192-M195 PolarHBondContact O-N 2.83Å; I192-N196 PolarHBondContact O-N 3.17Å
193	L	38.6	Very low	34.4	Very low	91 Å²	91	121.8 Å²	121.8	48%	0.476	58%	0.577	S	S	.	*	H	α-helix	trans	-61.4	-43.7	176.9	-148.9	91	0	0	0	110.8	Q189 Y190 N196 R197	Q189-L193 WeakPolarHBondContact O-CB 3.27Å; Q189-L193 PolarHBondContact O-N 3.3Å; Y190-L193 PolarHBondContact O-N 2.94Å; L193-N196 PolarHBondContact O-N 2.85Å; L193-R197 WeakPolarHBondContact O-CB 3.29Å; L193-R197 WeakPolarHBondContact O-CG 3.31Å; L193-R197 PolarHBondContact O-N 3.1Å
194	R	38.7	Very low	34	Very low	142 Å²	142	120.7 Å²	120.7	54%	0.536	57%	0.57	S	S	.	*	H	α-helix	trans	-64.5	-41.4	175.7	-170.4	179.3	178.3	-171.2	2.9	111.9	Y190 I192 R197 L198	Y190-R194 WeakPolarHBondContact O-CB 3.17Å; Y190-R194 PolarHBondContact O-N 3.37Å; I192-R194 VanDerWaalsContact C-N 3.32Å; I192-R194 PolarHBondContact O-N 2.71Å; R194-R197 PolarHBondContact O-N 2.91Å; R194-L198 HydrophobicContact CG-CD1 4.02Å; R194-L198 HydrophobicContact CG-CG 4.47Å; R194-L198 VanDerWaalsContact O-CB 3.31Å; R194-L198 WeakPolarHBondContact O-CB 3.4Å; R194-L198 VanDerWaalsContact O-CG 3.25Å; R194-L198 WeakPolarHBondContact O-CG 3.47Å; R194-L198 PolarHBondContact O-N 3.2Å
195	M	38.2	Very low	33.8	Very low	115 Å²	115	116.9 Å²	116.9	57%	0.567	55%	0.554	S	S	*	*	H	α-helix	trans	-64.1	-40.8	175.1	-98.9	-163.3	75.2	0	0	112.5	K191 I192 L198 K199	K191-M195 WeakPolarHBondContact O-CB 3.28Å; K191-M195 PolarHBondContact O-N 3.3Å; I192-M195 PolarHBondContact O-N 2.83Å; M195-L198 PolarHBondContact O-N 3.21Å; M195-K199 WeakPolarHBondContact O-CB 3.32Å; M195-K199 PolarHBondContact O-N 2.78Å
196	N	41.2	Very low	33.9	Very low	98 Å²	98	121.2 Å²	121.2	52%	0.524	57%	0.565	S	S	.	*	H	α-helix	trans	-66.8	-42	176.5	-78.4	-21.2	0	0	0	111.4	I192 L193 K199 M200	I192-N196 PolarHBondContact O-N 3.17Å; L193-N196 PolarHBondContact O-N 2.85Å; N196-K199 PolarHBondContact O-N 3.18Å; N196-M200 PolarHBondContact O-N 2.9Å
197	R	36.7	Very low	34.3	Very low	154 Å²	154	119.9 Å²	119.9	58%	0.581	56%	0.563	S	S	*	*	H	α-helix	trans	-60.4	-47.3	171.9	-74.2	178.4	177.9	-177.4	-1.6	111.2	L193 R194 K199 M200 I201	L193-R197 WeakPolarHBondContact O-CB 3.29Å; L193-R197 WeakPolarHBondContact O-CG 3.31Å; L193-R197 PolarHBondContact O-N 3.1Å; R194-R197 PolarHBondContact O-N 2.91Å; R197-K199 VanDerWaalsContact C-N 3.34Å; R197-K199 PolarHBondContact O-N 3.34Å; R197-M200 WeakPolarHBondContact O-CB 3.43Å; R197-M200 PolarHBondContact O-N 2.78Å; R197-M200 VanDerWaalsContact O-N 3.13Å; R197-I201 WeakPolarHBondContact O-CB 3.4Å; R197-I201 WeakPolarHBondContact O-CD1 3.11Å; R197-I201 WeakPolarHBondContact O-CG1 3.43Å; R197-I201 PolarHBondContact O-N 3.13Å
198	L	35	Very low	34.5	Very low	87 Å²	87	121 Å²	121	46%	0.455	56%	0.562	S	S	.	*	H	α-helix	trans	-61.9	-36.1	176.3	-76.5	167	0	0	0	113.1	R194 M195 I201 G202	R194-L198 HydrophobicContact CG-CD1 4.02Å; R194-L198 HydrophobicContact CG-CG 4.47Å; R194-L198 VanDerWaalsContact O-CB 3.31Å; R194-L198 WeakPolarHBondContact O-CB 3.4Å; R194-L198 VanDerWaalsContact O-CG 3.25Å; R194-L198 WeakPolarHBondContact O-CG 3.47Å; R194-L198 PolarHBondContact O-N 3.2Å; M195-L198 PolarHBondContact O-N 3.21Å; L198-I201 PolarHBondContact O-N 3.35Å; L198-G202 PolarHBondContact O-N 2.85Å
199	K	38.8	Very low	34.2	Very low	145 Å²	145	119.4 Å²	119.4	63%	0.63	56%	0.56	S	S	*	*	H	α-helix	trans	-67.1	-39.2	172.9	-92.3	-176.3	177.1	175.7	0	112.4	M195 N196 R197 K203	M195-K199 WeakPolarHBondContact O-CB 3.32Å; M195-K199 PolarHBondContact O-N 2.78Å; N196-K199 PolarHBondContact O-N 3.18Å; R197-K199 VanDerWaalsContact C-N 3.34Å; R197-K199 PolarHBondContact O-N 3.34Å; K199-K203 PolarHBondContact O-N 3.29Å
200	M	33.6	Very low	34.1	Very low	143 Å²	143	113.8 Å²	113.8	70%	0.704	55%	0.545	S	S	*	.	H	α-helix	trans	-63.3	-49.8	171.6	-97.2	-154.7	-162.1	0	0	110.8	N196 R197 G202 K203 V204	N196-M200 PolarHBondContact O-N 2.9Å; R197-M200 WeakPolarHBondContact O-CB 3.43Å; R197-M200 PolarHBondContact O-N 2.78Å; R197-M200 VanDerWaalsContact O-N 3.13Å; M200-G202 VanDerWaalsContact C-N 3.31Å; M200-G202 PolarHBondContact O-N 3.36Å; M200-K203 WeakPolarHBondContact O-CA 3.45Å; M200-K203 WeakPolarHBondContact O-CB 3.43Å; M200-K203 PolarHBondContact O-N 2.71Å; M200-V204 WeakPolarHBondContact O-CG2 3.25Å; M200-V204 PolarHBondContact O-N 3.42Å
201	I	30.3	Very low	34.1	Very low	50 Å²	50	110.9 Å²	110.9	26%	0.256	54%	0.54	S	S	.	.	H	α-helix	trans	-55.3	-46.2	176.6	-69.9	164.2	0	0	0	110.2	R197 L198 K203 V204 A205 V212 M216	R197-I201 WeakPolarHBondContact O-CB 3.4Å; R197-I201 WeakPolarHBondContact O-CD1 3.11Å; R197-I201 WeakPolarHBondContact O-CG1 3.43Å; R197-I201 PolarHBondContact O-N 3.13Å; L198-I201 PolarHBondContact O-N 3.35Å; I201-K203 VanDerWaalsContact C-N 3.26Å; I201-K203 PolarHBondContact O-N 3.42Å; I201-V204 PolarHBondContact O-N 2.86Å; I201-V204 VanDerWaalsContact O-N 3.1Å; I201-A205 WeakPolarHBondContact O-CB 3.26Å; I201-A205 PolarHBondContact O-N 3.45Å; I201-V212 HydrophobicContact CG2-CG1 3.78Å; I201-M216 HydrophobicContact CD1-CE 4.32Å; I201-M216 HydrophobicContact CD1-SD 3.99Å; I201-M216 HydrophobicContact CG2-SD 3.98Å
202	G	27.6	Very low	33.8	Very low	32 Å²	32	105 Å²	105	33%	0.33	52%	0.516	S	S	.	.	H	α-helix	trans	-65.9	-20.9	177	0	0	0	0	0	114.9	L198 M200 R206	L198-G202 PolarHBondContact O-N 2.85Å; M200-G202 VanDerWaalsContact C-N 3.31Å; M200-G202 PolarHBondContact O-N 3.36Å; G202-R206 WeakPolarHBondContact O-CG 3.28Å; G202-R206 PolarHBondContact O-NE 2.74Å; G202-R206 VanDerWaalsContact O-NE 3.15Å
203	K	34	Very low	33.4	Very low	164 Å²	164	106 Å²	106	71%	0.713	52%	0.521	S	S	*	.	H	α-helix	trans	-82.1	-35.8	169.7	-88.1	-174.9	175.4	-179.3	0	112.1	K199 M200 I201	K199-K203 PolarHBondContact O-N 3.29Å; M200-K203 WeakPolarHBondContact O-CA 3.45Å; M200-K203 WeakPolarHBondContact O-CB 3.43Å; M200-K203 PolarHBondContact O-N 2.71Å; I201-K203 VanDerWaalsContact C-N 3.26Å; I201-K203 PolarHBondContact O-N 3.42Å
204	V	26.2	Very low	33.2	Very low	85 Å²	85	103.8 Å²	103.8	52%	0.515	51%	0.511	S	S	.	.	H	α-helix	trans	-82.9	-41.7	-176.2	180	0	0	0	0	111.6	M200 I201 R206 K207 K208 V212	M200-V204 WeakPolarHBondContact O-CG2 3.25Å; M200-V204 PolarHBondContact O-N 3.42Å; I201-V204 PolarHBondContact O-N 2.86Å; I201-V204 VanDerWaalsContact O-N 3.1Å; V204-R206 PolarHBondContact O-N 2.78Å; V204-K207 WeakPolarHBondContact O-CB 3.06Å; V204-K207 PolarHBondContact O-N 3.45Å; V204-K208 PolarHBondContact O-N 2.94Å; V204-V212 HydrophobicContact CB-CG2 4.37Å; V204-V212 HydrophobicContact CG1-CG2 3.79Å
205	A	26.6	Very low	33	Very low	29 Å²	29	99.4 Å²	99.4	24%	0.24	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.7	178.3	0	0	0	0	0	113.4	I201 K207 P209 V212	I201-A205 WeakPolarHBondContact O-CB 3.26Å; I201-A205 PolarHBondContact O-N 3.45Å; A205-K207 PolarHBondContact O-N 2.86Å; A205-P209 WeakPolarHBondContact O-CD 3.14Å; A205-V212 HydrophobicContact CB-CB 4.31Å; A205-V212 HydrophobicContact CB-CG1 4.23Å; A205-V212 HydrophobicContact CB-CG2 4.18Å
206	R	31.3	Very low	32.8	Very low	221 Å²	221	97.6 Å²	97.6	83%	0.834	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.6	171.3	-75.6	-178.4	-150.1	-157.3	0.2	113	G202 V204	G202-R206 WeakPolarHBondContact O-CG 3.28Å; G202-R206 PolarHBondContact O-NE 2.74Å; G202-R206 VanDerWaalsContact O-NE 3.15Å; V204-R206 PolarHBondContact O-N 2.78Å
207	K	36.5	Very low	32.6	Very low	183 Å²	183	95.1 Å²	95.1	80%	0.796	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-42.1	-178.5	-68.5	-173.1	174.5	-175.4	0	111.7	V204 A205	V204-K207 WeakPolarHBondContact O-CB 3.06Å; V204-K207 PolarHBondContact O-N 3.45Å; A205-K207 PolarHBondContact O-N 2.86Å
208	K	37	Very low	32.7	Very low	135 Å²	135	88.2 Å²	88.2	59%	0.587	46%	0.461	S	S	*	.			trans	-154	98.1	176.9	-67.1	-171.2	180	-178.6	0	110.5	V204 G210 D211	V204-K208 PolarHBondContact O-N 2.94Å; K208-G210 PolarHBondContact O-N 2.54Å; K208-D211 HydrophobicContact CB-CB 4.5Å; K208-D211 WeakPolarHBondContact CD-OD2 3.33Å
209	P	27.6	Very low	33	Very low	87 Å²	87	89 Å²	89	57%	0.565	47%	0.466	S	S	*	.	H	α-helix	trans	-71.2	-25.6	-173	22.6	-30.4	0	0	0	114.7	A205 L213	A205-P209 WeakPolarHBondContact O-CD 3.14Å; P209-L213 PolarHBondContact O-N 3.29Å
210	G	28.8	Very low	33	Very low	44 Å²	44	85.3 Å²	85.3	45%	0.454	46%	0.458	S	S	.	.	H	α-helix	trans	-67	-49.3	178.1	0	0	0	0	0	113	K208 V212 L213 V214	K208-G210 PolarHBondContact O-N 2.54Å; G210-V212 PolarHBondContact O-N 3.08Å; G210-L213 PolarHBondContact O-N 2.97Å; G210-V214 WeakPolarHBondContact O-CG2 3.47Å; G210-V214 PolarHBondContact O-N 3.11Å; G210-V214 VanDerWaalsContact O-N 3.12Å
211	D	34.2	Very low	33.1	Very low	87 Å²	87	81 Å²	81	47%	0.465	44%	0.438	S	S	.	.	H	α-helix	trans	-60.2	-32.2	-178.4	-57.4	-13.3	0	0	0	112.3	K208 S215	K208-D211 HydrophobicContact CB-CB 4.5Å; K208-D211 WeakPolarHBondContact CD-OD2 3.33Å; D211-S215 WeakPolarHBondContact O-CB 3.03Å; D211-S215 PolarHBondContact O-N 3.45Å
212	V	29.3	Very low	33.5	Very low	17 Å²	17	79.5 Å²	79.5	10%	0.103	43%	0.43	C	S	.	.	H	α-helix	trans	-77.2	-41.1	-178.4	177.6	0	0	0	0	112.3	I201 V204 A205 G210 V214 S215 M216	I201-V212 HydrophobicContact CG2-CG1 3.78Å; V204-V212 HydrophobicContact CB-CG2 4.37Å; V204-V212 HydrophobicContact CG1-CG2 3.79Å; A205-V212 HydrophobicContact CB-CB 4.31Å; A205-V212 HydrophobicContact CB-CG1 4.23Å; A205-V212 HydrophobicContact CB-CG2 4.18Å; G210-V212 PolarHBondContact O-N 3.08Å; V212-V214 VanDerWaalsContact C-N 3.29Å; V212-S215 PolarHBondContact O-N 3.23Å; V212-M216 HydrophobicContact CG1-CG 4.43Å; V212-M216 HydrophobicContact CG1-SD 4.06Å; V212-M216 WeakPolarHBondContact O-CB 3.25Å; V212-M216 VanDerWaalsContact O-CG 3.26Å; V212-M216 WeakPolarHBondContact O-CG 3.42Å; V212-M216 PolarHBondContact O-N 3.24Å
213	L	31	Very low	34.2	Very low	117 Å²	117	82.1 Å²	82.1	61%	0.613	44%	0.443	S	S	*	.	H	α-helix	trans	-64.8	-38.3	175.6	-74.1	170.4	0	0	0	111	P209 G210 A217	P209-L213 PolarHBondContact O-N 3.29Å; G210-L213 PolarHBondContact O-N 2.97Å; L213-A217 VanDerWaalsContact O-CB 3.3Å; L213-A217 WeakPolarHBondContact O-CB 2.9Å; L213-A217 PolarHBondContact O-N 3.27Å
214	V	34.7	Very low	34.3	Very low	45 Å²	45	77.7 Å²	77.7	27%	0.273	43%	0.427	S	S	.	.	H	α-helix	trans	-65.3	-49.8	174.2	172	0	0	0	0	110.7	G210 V212 M216 A217 I218 C269 P271	G210-V214 WeakPolarHBondContact O-CG2 3.47Å; G210-V214 PolarHBondContact O-N 3.11Å; G210-V214 VanDerWaalsContact O-N 3.12Å; V212-V214 VanDerWaalsContact C-N 3.29Å; V214-M216 VanDerWaalsContact C-N 3.31Å; V214-M216 PolarHBondContact O-N 3.39Å; V214-A217 PolarHBondContact O-N 2.94Å; V214-I218 HydrophobicContact CG1-CD1 3.55Å; V214-I218 HydrophobicContact CG1-CG1 4.37Å; V214-I218 WeakPolarHBondContact O-CB 3.42Å; V214-I218 VanDerWaalsContact O-CD1 3.3Å; V214-I218 WeakPolarHBondContact O-CD1 3.17Å; V214-I218 WeakPolarHBondContact O-CG1 2.94Å; V214-I218 PolarHBondContact O-N 3.12Å; V214-C269 WeakPolarHBondContact CG1-SG 3.35Å; V214-P271 HydrophobicContact CG1-CG 4.32Å
215	S	34.1	Very low	34.6	Very low	50 Å²	50	75.5 Å²	75.5	35%	0.35	42%	0.416	S	S	.	.	H	α-helix	trans	-59.6	-38.4	176.1	-110	0	0	0	0	113.3	D211 V212 I218 D219	D211-S215 WeakPolarHBondContact O-CB 3.03Å; D211-S215 PolarHBondContact O-N 3.45Å; V212-S215 PolarHBondContact O-N 3.23Å; S215-I218 PolarHBondContact O-N 2.67Å; S215-D219 WeakPolarHBondContact O-CB 3.18Å; S215-D219 PolarHBondContact O-N 2.92Å
216	M	34.3	Very low	34.9	Very low	77 Å²	77	75.6 Å²	75.6	38%	0.379	41%	0.412	S	S	.	.	H	α-helix	trans	-71.4	-41.3	178.2	-73.2	178.5	64.9	0	0	112.3	I201 V212 V214 I218 D219 S220	I201-M216 HydrophobicContact CD1-CE 4.32Å; I201-M216 HydrophobicContact CD1-SD 3.99Å; I201-M216 HydrophobicContact CG2-SD 3.98Å; V212-M216 HydrophobicContact CG1-CG 4.43Å; V212-M216 HydrophobicContact CG1-SD 4.06Å; V212-M216 WeakPolarHBondContact O-CB 3.25Å; V212-M216 VanDerWaalsContact O-CG 3.26Å; V212-M216 WeakPolarHBondContact O-CG 3.42Å; V212-M216 PolarHBondContact O-N 3.24Å; V214-M216 VanDerWaalsContact C-N 3.31Å; V214-M216 PolarHBondContact O-N 3.39Å; M216-I218 VanDerWaalsContact C-N 3.28Å; M216-I218 PolarHBondContact O-N 2.87Å; M216-D219 PolarHBondContact O-N 3.33Å; M216-S220 WeakPolarHBondContact O-CB 3.27Å; M216-S220 PolarHBondContact O-N 3.43Å; M216-S220 PolarHBondContact O-OG 3.39Å
217	A	37.3	Very low	35	Very low	46 Å²	46	69.2 Å²	69.2	38%	0.38	40%	0.399	S	S	.	.	H	α-helix	trans	-61.7	-41.2	173.7	0	0	0	0	0	110.3	L213 V214 L221	L213-A217 VanDerWaalsContact O-CB 3.3Å; L213-A217 WeakPolarHBondContact O-CB 2.9Å; L213-A217 PolarHBondContact O-N 3.27Å; V214-A217 PolarHBondContact O-N 2.94Å; A217-L221 HydrophobicContact CB-CD1 4.48Å; A217-L221 WeakPolarHBondContact O-CB 3.03Å; A217-L221 VanDerWaalsContact O-CD1 3.28Å; A217-L221 WeakPolarHBondContact O-CD1 2.99Å; A217-L221 WeakPolarHBondContact O-CG 3.47Å; A217-L221 PolarHBondContact O-N 2.96Å
218	I	38.3	Very low	34.9	Very low	9 Å²	9	61.8 Å²	61.8	5%	0.046	38%	0.375	C	S	.	.	H	α-helix	trans	-64.8	-49.3	175.1	-66.4	159	0	0	0	111.2	V214 S215 M216 S220 L221 L222 P271 L272	V214-I218 HydrophobicContact CG1-CD1 3.55Å; V214-I218 HydrophobicContact CG1-CG1 4.37Å; V214-I218 WeakPolarHBondContact O-CB 3.42Å; V214-I218 VanDerWaalsContact O-CD1 3.3Å; V214-I218 WeakPolarHBondContact O-CD1 3.17Å; V214-I218 WeakPolarHBondContact O-CG1 2.94Å; V214-I218 PolarHBondContact O-N 3.12Å; S215-I218 PolarHBondContact O-N 2.67Å; M216-I218 VanDerWaalsContact C-N 3.28Å; M216-I218 PolarHBondContact O-N 2.87Å; I218-S220 VanDerWaalsContact C-N 3.31Å; I218-S220 PolarHBondContact O-N 3.5Å; I218-L221 CarbonylContact O-C 3.6Å; I218-L221 PolarHBondContact O-N 3.47Å; I218-L222 HydrophobicContact CG2-CD1 3.5Å; I218-L222 VanDerWaalsContact CG2-CD1 3.5Å; I218-L222 HydrophobicContact CG2-CG 3.93Å; I218-L222 VanDerWaalsContact O-CB 3.26Å; I218-L222 WeakPolarHBondContact O-CB 3.27Å; I218-L222 VanDerWaalsContact O-CG 3.25Å; I218-L222 WeakPolarHBondContact O-CG 3.4Å; I218-L222 PolarHBondContact O-N 3.3Å; I218-P271 HydrophobicContact CD1-CB 3.95Å; I218-L272 HydrophobicContact CD1-CB 3.58Å; I218-L272 HydrophobicContact CG1-CB 4.01Å; I218-L272 HydrophobicContact CG1-CD1 4.23Å; I218-L272 HydrophobicContact CG1-CG 4.49Å; I218-L272 HydrophobicContact CG2-CD1 3.81Å
219	D	40.9	Very low	35.3	Very low	102 Å²	102	60.4 Å²	60.4	55%	0.545	38%	0.38	S	S	.	.	H	α-helix	trans	-59.1	-43.7	179.1	-84.5	-6.8	0	0	0	111.3	S215 M216 S223	S215-D219 WeakPolarHBondContact O-CB 3.18Å; S215-D219 PolarHBondContact O-N 2.92Å; M216-D219 PolarHBondContact O-N 3.33Å; D219-S223 VanDerWaalsContact O-CB 3.25Å; D219-S223 WeakPolarHBondContact O-CB 3.18Å; D219-S223 PolarHBondContact O-N 2.67Å; D219-S223 PolarHBondContact O-OG 2.84Å
220	S	38.9	Very low	35.7	Very low	68 Å²	68	63.8 Å²	63.8	48%	0.476	39%	0.391	S	S	.	.	H	α-helix	trans	-63.5	-51.8	173.5	-75.8	0	0	0	0	110.7	M216 I218 L222 S223 L224	M216-S220 WeakPolarHBondContact O-CB 3.27Å; M216-S220 PolarHBondContact O-N 3.43Å; M216-S220 PolarHBondContact O-OG 3.39Å; I218-S220 VanDerWaalsContact C-N 3.31Å; I218-S220 PolarHBondContact O-N 3.5Å; S220-L222 VanDerWaalsContact C-N 3.32Å; S220-L222 PolarHBondContact O-N 2.62Å; S220-S223 CarbonylContact O-C 3.57Å; S220-S223 WeakPolarHBondContact O-CA 3.49Å; S220-S223 WeakPolarHBondContact O-CB 3.16Å; S220-S223 PolarHBondContact O-N 3.32Å; S220-S223 VanDerWaalsContact O-N 3.1Å; S220-L224 WeakPolarHBondContact O-CB 3.24Å; S220-L224 WeakPolarHBondContact O-CD1 3.23Å; S220-L224 WeakPolarHBondContact O-CG 3.29Å; S220-L224 PolarHBondContact O-N 2.85Å
221	L	36.6	Very low	36.4	Very low	54 Å²	54	68.6 Å²	68.6	28%	0.283	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-36.7	-179.4	-73.4	163.4	0	0	0	112.7	A217 I218 L224 S225 L252 I256	A217-L221 HydrophobicContact CB-CD1 4.48Å; A217-L221 WeakPolarHBondContact O-CB 3.03Å; A217-L221 VanDerWaalsContact O-CD1 3.28Å; A217-L221 WeakPolarHBondContact O-CD1 2.99Å; A217-L221 WeakPolarHBondContact O-CG 3.47Å; A217-L221 PolarHBondContact O-N 2.96Å; I218-L221 CarbonylContact O-C 3.6Å; I218-L221 PolarHBondContact O-N 3.47Å; L221-L224 PolarHBondContact O-N 3.3Å; L221-S225 WeakPolarHBondContact O-CB 3.48Å; L221-S225 PolarHBondContact O-N 2.8Å; L221-S225 PolarHBondContact O-OG 2.77Å; L221-L252 HydrophobicContact CB-CD1 3.67Å; L221-L252 HydrophobicContact CB-CD2 4.05Å; L221-L252 HydrophobicContact CD1-CD2 3.96Å; L221-L252 HydrophobicContact CD2-CD2 4.01Å; L221-L252 HydrophobicContact CG-CD2 4.23Å; L221-I256 HydrophobicContact CD1-CD1 4.15Å
222	L	37.5	Very low	36.6	Very low	17 Å²	17	66.4 Å²	66.4	9%	0.089	41%	0.41	C	S	.	.	H	α-helix	trans	-65.8	-47.3	171.8	-74	173.1	0	0	0	110.3	I218 S220 L224 S225 I226 V248 Y275	I218-L222 HydrophobicContact CG2-CD1 3.5Å; I218-L222 VanDerWaalsContact CG2-CD1 3.5Å; I218-L222 HydrophobicContact CG2-CG 3.93Å; I218-L222 VanDerWaalsContact O-CB 3.26Å; I218-L222 WeakPolarHBondContact O-CB 3.27Å; I218-L222 VanDerWaalsContact O-CG 3.25Å; I218-L222 WeakPolarHBondContact O-CG 3.4Å; I218-L222 PolarHBondContact O-N 3.3Å; S220-L222 VanDerWaalsContact C-N 3.32Å; S220-L222 PolarHBondContact O-N 2.62Å; L222-L224 PolarHBondContact O-N 2.85Å; L222-S225 PolarHBondContact O-N 3.44Å; L222-I226 WeakPolarHBondContact O-CB 3.5Å; L222-I226 VanDerWaalsContact O-CG1 3.27Å; L222-I226 WeakPolarHBondContact O-CG1 3.08Å; L222-I226 PolarHBondContact O-N 3.21Å; L222-V248 HydrophobicContact CD2-CG1 4.11Å; L222-Y275 HydrophobicContact CD1-CD1 3.83Å; L222-Y275 HydrophobicContact CD1-CE1 3.54Å; L222-Y275 HydrophobicContact CD2-CD1 4.29Å; L222-Y275 HydrophobicContact CD2-CE1 3.78Å; L222-Y275 HydrophobicContact CG-CE1 4.34Å
223	S	42.2	Very low	37	Very low	87 Å²	87	69.7 Å²	69.7	61%	0.608	43%	0.43	S	S	*	.	H	α-helix	trans	-61.5	-22.5	174.3	-54.3	0	0	0	0	113.4	D219 S220	D219-S223 VanDerWaalsContact O-CB 3.25Å; D219-S223 WeakPolarHBondContact O-CB 3.18Å; D219-S223 PolarHBondContact O-N 2.67Å; D219-S223 PolarHBondContact O-OG 2.84Å; S220-S223 CarbonylContact O-C 3.57Å; S220-S223 WeakPolarHBondContact O-CA 3.49Å; S220-S223 WeakPolarHBondContact O-CB 3.16Å; S220-S223 PolarHBondContact O-N 3.32Å; S220-S223 VanDerWaalsContact O-N 3.1Å
224	L	37.3	Very low	37.3	Very low	71 Å²	71	68.1 Å²	68.1	37%	0.372	42%	0.417	S	S	.	.	H	α-helix	trans	-92.2	-38.6	-179.9	-69.9	168.4	0	0	0	113.2	E141 S220 L221 L222 I226	E141-L224 HydrophobicContact CG-CD2 4.33Å; E141-L224 WeakPolarHBondContact OE1-CD2 3.26Å; S220-L224 WeakPolarHBondContact O-CB 3.24Å; S220-L224 WeakPolarHBondContact O-CD1 3.23Å; S220-L224 WeakPolarHBondContact O-CG 3.29Å; S220-L224 PolarHBondContact O-N 2.85Å; L221-L224 PolarHBondContact O-N 3.3Å; L222-L224 PolarHBondContact O-N 2.85Å; L224-I226 VanDerWaalsContact C-N 3.33Å
225	S	33	Very low	37.4	Very low	39 Å²	39	67.6 Å²	67.6	27%	0.273	41%	0.414	S	S	.	.	H	α-helix	trans	-82.4	-20.5	-179.4	-53.3	0	0	0	0	111.8	L221 L222 P227	L221-S225 WeakPolarHBondContact O-CB 3.48Å; L221-S225 PolarHBondContact O-N 2.8Å; L221-S225 PolarHBondContact O-OG 2.77Å; L222-S225 PolarHBondContact O-N 3.44Å; S225-P227 WeakPolarHBondContact O-CD 3.35Å
226	I	32.8	Very low	38.3	Very low	31 Å²	31	75.2 Å²	75.2	16%	0.159	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	79.2	161	-53	167.9	0	0	0	105.5	L222 L224 G228 Y234 E245	L222-I226 WeakPolarHBondContact O-CB 3.5Å; L222-I226 VanDerWaalsContact O-CG1 3.27Å; L222-I226 WeakPolarHBondContact O-CG1 3.08Å; L222-I226 PolarHBondContact O-N 3.21Å; L224-I226 VanDerWaalsContact C-N 3.33Å; I226-G228 PolarHBondContact O-N 2.87Å; I226-Y234 WeakPolarHBondContact CA-OH 3.44Å; I226-Y234 HydrophobicContact CB-CE2 4.11Å; I226-Y234 HydrophobicContact CG2-CE2 3.55Å; I226-E245 HydrophobicContact CD1-CG 3.8Å; I226-E245 HydrophobicContact CG1-CG 4.41Å
227	P	31.9	Very low	39.1	Very low	88 Å²	88	74.3 Å²	74.3	57%	0.571	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	81.9	157.4	23.7	-30.6	0	0	0	114.7	S225 Y234	S225-P227 WeakPolarHBondContact O-CD 3.35Å; P227-Y234 WeakPolarHBondContact CA-OH 3.24Å; P227-Y234 WeakPolarHBondContact CD-OH 3.46Å; P227-Y234 HydrophobicContact CG-CE1 3.82Å; P227-Y234 WeakPolarHBondContact CG-OH 3.15Å; P227-Y234 PolarHBondContact O-OH 2.82Å
228	G	34.7	Very low	40	Very low	27 Å²	27	76.3 Å²	76.3	28%	0.278	45%	0.446	S	S	.	.			trans	-134.1	86.1	165	0	0	0	0	0	108.5	I226 I230	I226-G228 PolarHBondContact O-N 2.87Å; G228-I230 PolarHBondContact O-N 2.82Å; G228-I230 VanDerWaalsContact O-N 3.13Å
229	P	45.2	Very low	40.7	Very low	106 Å²	106	77.8 Å²	77.8	69%	0.688	45%	0.454	S	S	*	.	S	Bend	trans	-74.5	110.4	175.5	30.7	-24.7	0	0	0	104
230	I	37.8	Very low	41	Very low	158 Å²	158	77.4 Å²	77.4	81%	0.81	45%	0.449	S	S	*	.	S	Bend	trans	67.5	78.5	179.6	-46.6	152.5	0	0	0	109.7	G228 G232	G228-I230 PolarHBondContact O-N 2.82Å; G228-I230 VanDerWaalsContact O-N 3.13Å; I230-G232 PolarHBondContact O-N 3.2Å
231	T	42.9	Very low	41.5	Very low	144 Å²	144	75.8 Å²	75.8	88%	0.883	43%	0.434	S	S	*	.	S	Bend	trans	56.1	36.2	154.4	64.4	0	0	0	0	119.2
232	G	37.3	Very low	42.2	Very low	42 Å²	42	75.7 Å²	75.7	43%	0.433	43%	0.431	S	S	.	.			trans	-100.6	127.7	171.7	0	0	0	0	0	111.9	I230	I230-G232 PolarHBondContact O-N 3.2Å
233	T	38.8	Very low	42.7	Very low	85 Å²	85	79.1 Å²	79.1	52%	0.521	45%	0.449	S	S	.	.			trans	-81.2	144.5	172.5	62.7	0	0	0	0	111	T235 E241	T233-T235 WeakPolarHBondContact CB-O 3.39Å; T233-T235 PolarHBondContact O-N 2.84Å; T233-T235 PolarHBondContact OG1-O 3.4Å; T233-E241 WeakPolarHBondContact CA-OE1 3.4Å; T233-E241 WeakPolarHBondContact CB-OE1 3.11Å; T233-E241 WeakPolarHBondContact CB-OE2 3.46Å; T233-E241 WeakPolarHBondContact CG2-OE2 3.4Å
234	Y	37.1	Very low	42.8	Very low	84 Å²	84	77.7 Å²	77.7	33%	0.329	43%	0.434	S	S	.	.	S	Bend	trans	-62.2	-37	175.8	-78	-79.5	0	0	0	113	I226 P227 L244	I226-Y234 WeakPolarHBondContact CA-OH 3.44Å; I226-Y234 HydrophobicContact CB-CE2 4.11Å; I226-Y234 HydrophobicContact CG2-CE2 3.55Å; P227-Y234 WeakPolarHBondContact CA-OH 3.24Å; P227-Y234 WeakPolarHBondContact CD-OH 3.46Å; P227-Y234 HydrophobicContact CG-CE1 3.82Å; P227-Y234 WeakPolarHBondContact CG-OH 3.15Å; P227-Y234 PolarHBondContact O-OH 2.82Å; Y234-L244 HydrophobicContact CD1-CD2 3.65Å; Y234-L244 HydrophobicContact CD2-CD2 3.18Å; Y234-L244 HydrophobicContact CE1-CD2 3.96Å; Y234-L244 HydrophobicContact CE2-CD2 3.48Å; Y234-L244 VanDerWaalsContact CE2-CD2 3.48Å; Y234-L244 HydrophobicContact CG-CD2 3.3Å
235	T	37.6	Very low	43.4	Very low	34 Å²	34	76.3 Å²	76.3	21%	0.209	43%	0.426	C	S	.	.	S	Bend	trans	-136	162.5	-172.2	83.6	0	0	0	0	106.4	T233 N237 E240	T233-T235 WeakPolarHBondContact CB-O 3.39Å; T233-T235 PolarHBondContact O-N 2.84Å; T233-T235 PolarHBondContact OG1-O 3.4Å; T235-N237 PolarHBondContact O-N 3.39Å; T235-N237 PolarHBondContact OG1-N 2.85Å; T235-N237 PolarHBondContact OG1-O 3.41Å; T235-E240 WeakPolarHBondContact CB-OE2 3.3Å; T235-E240 HydrophobicContact CG2-CB 3.75Å; T235-E240 VanDerWaalsContact CG2-OE2 3.26Å; T235-E240 WeakPolarHBondContact CG2-OE2 3.43Å; T235-E240 WeakPolarHBondContact OG1-CB 3.15Å; T235-E240 PolarHBondContact OG1-OE2 3.36Å
236	K	53	Low	44.1	Very low	211 Å²	211	75.1 Å²	75.1	92%	0.917	42%	0.417	S	S	*	.	S	Bend	trans	-80.2	-4.1	168.6	-66	-178	-179.9	178.7	0	111.7
237	N	50.4	Low	44.6	Very low	57 Å²	57	78.6 Å²	78.6	31%	0.305	44%	0.435	S	S	.	.			trans	-99.8	108.4	-174.8	-176.1	-11	0	0	0	109.1	T235 I239 E240 E241	T235-N237 PolarHBondContact O-N 3.39Å; T235-N237 PolarHBondContact OG1-N 2.85Å; T235-N237 PolarHBondContact OG1-O 3.41Å; N237-I239 PolarHBondContact O-N 3.47Å; N237-I239 WeakPolarHBondContact OD1-CB 3.3Å; N237-I239 PolarHBondContact OD1-N 2.9Å; N237-I239 VanDerWaalsContact OD1-N 3.08Å; N237-E240 HydrophobicContact CB-CB 4.06Å; N237-E240 VanDerWaalsContact CB-CD 3.5Å; N237-E240 HydrophobicContact CB-CG 3.91Å; N237-E240 PolarHBondContact ND2-OE1 3.21Å; N237-E240 PolarHBondContact O-N 2.88Å; N237-E240 VanDerWaalsContact O-N 3.08Å; N237-E241 PolarHBondContact O-N 3.25Å
238	P	56.6	Low	45.4	Very low	88 Å²	88	75.1 Å²	75.1	57%	0.571	41%	0.413	S	S	*	.	H	α-helix	trans	-59.2	-23.5	-177.4	24.6	-33.9	0	0	0	113.1	K242	P238-K242 WeakPolarHBondContact O-CG 3.11Å; P238-K242 PolarHBondContact O-N 3.09Å; P238-K242 VanDerWaalsContact O-N 3.16Å
239	I	52.5	Low	45.9	Very low	40 Å²	40	73.9 Å²	73.9	21%	0.205	40%	0.399	C	S	.	.	H	α-helix	trans	-75.2	-44.7	177.1	-62.5	161.4	0	0	0	110.9	N237 E241 K242 L243 T286 E287	N237-I239 PolarHBondContact O-N 3.47Å; N237-I239 WeakPolarHBondContact OD1-CB 3.3Å; N237-I239 PolarHBondContact OD1-N 2.9Å; N237-I239 VanDerWaalsContact OD1-N 3.08Å; I239-E241 PolarHBondContact O-N 3.15Å; I239-K242 PolarHBondContact O-N 3.32Å; I239-L243 HydrophobicContact CG2-CD1 4.04Å; I239-L243 HydrophobicContact CG2-CG 4.39Å; I239-L243 WeakPolarHBondContact O-CB 3.25Å; I239-L243 WeakPolarHBondContact O-CG 3.42Å; I239-L243 PolarHBondContact O-N 3.03Å; I239-T286 HydrophobicContact CG1-CG2 4.47Å; I239-E287 VanDerWaalsContact CD1-OE2 3.31Å; I239-E287 WeakPolarHBondContact CD1-OE2 3.35Å
240	E	46.7	Very low	46	Very low	95 Å²	95	71.9 Å²	71.9	44%	0.444	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-34	176.6	-72	165.4	-154	0	0	111.4	T235 N237 L244	T235-E240 WeakPolarHBondContact CB-OE2 3.3Å; T235-E240 HydrophobicContact CG2-CB 3.75Å; T235-E240 VanDerWaalsContact CG2-OE2 3.26Å; T235-E240 WeakPolarHBondContact CG2-OE2 3.43Å; T235-E240 WeakPolarHBondContact OG1-CB 3.15Å; T235-E240 PolarHBondContact OG1-OE2 3.36Å; N237-E240 HydrophobicContact CB-CB 4.06Å; N237-E240 VanDerWaalsContact CB-CD 3.5Å; N237-E240 HydrophobicContact CB-CG 3.91Å; N237-E240 PolarHBondContact ND2-OE1 3.21Å; N237-E240 PolarHBondContact O-N 2.88Å; N237-E240 VanDerWaalsContact O-N 3.08Å; E240-L244 WeakPolarHBondContact O-CB 3.26Å; E240-L244 PolarHBondContact O-N 3.12Å
241	E	50	Low	46.3	Very low	34 Å²	34	68.1 Å²	68.1	16%	0.159	37%	0.367	C	S	.	.	H	α-helix	trans	-66.7	-49	174	-171.6	155.3	-145.2	0	0	111.9	T233 N237 I239 L243 L244 E245	T233-E241 WeakPolarHBondContact CA-OE1 3.4Å; T233-E241 WeakPolarHBondContact CB-OE1 3.11Å; T233-E241 WeakPolarHBondContact CB-OE2 3.46Å; T233-E241 WeakPolarHBondContact CG2-OE2 3.4Å; N237-E241 PolarHBondContact O-N 3.25Å; I239-E241 PolarHBondContact O-N 3.15Å; E241-L243 VanDerWaalsContact C-N 3.3Å; E241-L243 PolarHBondContact O-N 2.86Å; E241-L244 WeakPolarHBondContact O-CB 3.18Å; E241-L244 PolarHBondContact O-N 3.28Å; E241-L244 VanDerWaalsContact O-N 3.13Å; E241-E245 WeakPolarHBondContact O-CG 3.46Å; E241-E245 PolarHBondContact O-N 3.19Å
242	K	51.9	Low	46.4	Very low	51 Å²	51	62 Å²	62	22%	0.222	33%	0.329	C	S	.	.	H	α-helix	trans	-59.4	-38.5	173.7	-72.4	-175.3	-175.7	-164.6	0	112.8	P238 I239 L244 E245 T246 I279 D282 I283	P238-K242 WeakPolarHBondContact O-CG 3.11Å; P238-K242 PolarHBondContact O-N 3.09Å; P238-K242 VanDerWaalsContact O-N 3.16Å; I239-K242 PolarHBondContact O-N 3.32Å; K242-L244 VanDerWaalsContact C-N 3.34Å; K242-E245 PolarHBondContact O-N 3.06Å; K242-T246 PolarHBondContact O-N 3.48Å; K242-T246 PolarHBondContact O-OG1 3.43Å; K242-I279 HydrophobicContact CB-CG2 3.93Å; K242-I279 HydrophobicContact CG-CG2 4.39Å; K242-I279 WeakPolarHBondContact O-CG2 3.23Å; K242-D282 HydrophobicContact CD-CB 4.38Å; K242-D282 IonicContact NZ-OD2 2.95Å; K242-D282 PolarHBondContact NZ-OD2 3.02Å; K242-I283 HydrophobicContact CB-CD1 4Å; K242-I283 HydrophobicContact CB-CG1 3.81Å; K242-I283 HydrophobicContact CD-CG1 4.3Å
243	L	46.5	Very low	46.8	Very low	90 Å²	90	61.3 Å²	61.3	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-63.6	-40.9	175.7	-76.8	168.9	0	0	0	111.5	I239 E241 T246 L247 I283	I239-L243 HydrophobicContact CG2-CD1 4.04Å; I239-L243 HydrophobicContact CG2-CG 4.39Å; I239-L243 WeakPolarHBondContact O-CB 3.25Å; I239-L243 WeakPolarHBondContact O-CG 3.42Å; I239-L243 PolarHBondContact O-N 3.03Å; E241-L243 VanDerWaalsContact C-N 3.3Å; E241-L243 PolarHBondContact O-N 2.86Å; L243-T246 PolarHBondContact O-N 2.95Å; L243-L247 WeakPolarHBondContact O-CB 3.37Å; L243-L247 PolarHBondContact O-N 3.2Å; L243-I283 HydrophobicContact CD2-CD1 4Å; L243-I283 HydrophobicContact CG-CD1 4.31Å
244	L	45.8	Very low	47	Very low	56 Å²	56	62.2 Å²	62.2	29%	0.293	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-43.8	175.6	-169.7	74.4	0	0	0	111.4	Y234 E240 E241 K242 T246 L247 V248	Y234-L244 HydrophobicContact CD1-CD2 3.65Å; Y234-L244 HydrophobicContact CD2-CD2 3.18Å; Y234-L244 HydrophobicContact CE1-CD2 3.96Å; Y234-L244 HydrophobicContact CE2-CD2 3.48Å; Y234-L244 VanDerWaalsContact CE2-CD2 3.48Å; Y234-L244 HydrophobicContact CG-CD2 3.3Å; E240-L244 WeakPolarHBondContact O-CB 3.26Å; E240-L244 PolarHBondContact O-N 3.12Å; E241-L244 WeakPolarHBondContact O-CB 3.18Å; E241-L244 PolarHBondContact O-N 3.28Å; E241-L244 VanDerWaalsContact O-N 3.13Å; K242-L244 VanDerWaalsContact C-N 3.34Å; L244-T246 VanDerWaalsContact C-N 3.27Å; L244-T246 PolarHBondContact O-N 2.91Å; L244-L247 PolarHBondContact O-N 2.79Å; L244-V248 WeakPolarHBondContact O-CB 3.46Å; L244-V248 VanDerWaalsContact O-CG2 3.31Å; L244-V248 WeakPolarHBondContact O-CG2 3.49Å; L244-V248 PolarHBondContact O-N 2.78Å
245	E	48.9	Very low	47.3	Very low	42 Å²	42	66.3 Å²	66.3	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-57.1	-41.6	174.1	-68.5	-177.7	166.3	0	0	111.7	I226 E241 K242 V248 C249 I279	I226-E245 HydrophobicContact CD1-CG 3.8Å; I226-E245 HydrophobicContact CG1-CG 4.41Å; E241-E245 WeakPolarHBondContact O-CG 3.46Å; E241-E245 PolarHBondContact O-N 3.19Å; K242-E245 PolarHBondContact O-N 3.06Å; E245-V248 PolarHBondContact O-N 2.83Å; E245-C249 PolarHBondContact O-N 2.83Å; E245-C249 PolarHBondContact O-SG 3.35Å; E245-I279 HydrophobicContact CB-CD1 3.78Å
246	T	47.1	Very low	47.5	Very low	15 Å²	15	68.1 Å²	68.1	9%	0.092	34%	0.339	C	S	.	.	H	α-helix	trans	-63.9	-48.9	176.1	-52.6	0	0	0	0	111.2	K242 L243 L244 V248 C249 D250 H276 I279 I283	K242-T246 PolarHBondContact O-N 3.48Å; K242-T246 PolarHBondContact O-OG1 3.43Å; L243-T246 PolarHBondContact O-N 2.95Å; L244-T246 VanDerWaalsContact C-N 3.27Å; L244-T246 PolarHBondContact O-N 2.91Å; T246-V248 VanDerWaalsContact C-N 3.28Å; T246-V248 PolarHBondContact O-N 3.41Å; T246-C249 CarbonylContact O-C 3.55Å; T246-C249 WeakPolarHBondContact O-CA 3.24Å; T246-C249 WeakPolarHBondContact O-CB 3.22Å; T246-C249 PolarHBondContact O-N 3.4Å; T246-D250 PolarHBondContact O-N 2.81Å; T246-H276 WeakPolarHBondContact CG2-NE2 3.46Å; T246-I279 WeakPolarHBondContact OG1-CG2 3.31Å; T246-I283 WeakPolarHBondContact OG1-CD1 3.35Å
247	L	44.7	Very low	46.8	Very low	104 Å²	104	59.3 Å²	59.3	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-40.3	178.6	-168.4	92.9	0	0	0	111.8	L243 L244 D250 V251	L243-L247 WeakPolarHBondContact O-CB 3.37Å; L243-L247 PolarHBondContact O-N 3.2Å; L244-L247 PolarHBondContact O-N 2.79Å; L247-D250 WeakPolarHBondContact O-CB 3.23Å; L247-D250 PolarHBondContact O-N 2.89Å; L247-V251 VanDerWaalsContact O-CG2 3.32Å; L247-V251 WeakPolarHBondContact O-CG2 3.49Å; L247-V251 PolarHBondContact O-N 3.29Å
248	V	47.6	Very low	46	Very low	15 Å²	15	60.3 Å²	60.3	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-49.4	173.6	159.6	0	0	0	0	110.5	L222 L244 E245 T246 D250 V251 L252	L222-V248 HydrophobicContact CD2-CG1 4.11Å; L244-V248 WeakPolarHBondContact O-CB 3.46Å; L244-V248 VanDerWaalsContact O-CG2 3.31Å; L244-V248 WeakPolarHBondContact O-CG2 3.49Å; L244-V248 PolarHBondContact O-N 2.78Å; E245-V248 PolarHBondContact O-N 2.83Å; T246-V248 VanDerWaalsContact C-N 3.28Å; T246-V248 PolarHBondContact O-N 3.41Å; V248-D250 VanDerWaalsContact C-N 3.27Å; V248-D250 PolarHBondContact O-N 3.5Å; V248-V251 PolarHBondContact O-N 3.46Å; V248-L252 HydrophobicContact CG1-CD1 3.97Å; V248-L252 HydrophobicContact CG1-CG 4.42Å; V248-L252 WeakPolarHBondContact O-CB 3.24Å; V248-L252 VanDerWaalsContact O-CG 3.28Å; V248-L252 WeakPolarHBondContact O-CG 3.43Å; V248-L252 PolarHBondContact O-N 2.99Å
249	C	46.6	Very low	44.9	Very low	0 Å²	0	62 Å²	62	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-40.9	177.2	-68.9	0	0	0	0	111.6	E245 T246 L252 L253 L272 H276	E245-C249 PolarHBondContact O-N 2.83Å; E245-C249 PolarHBondContact O-SG 3.35Å; T246-C249 CarbonylContact O-C 3.55Å; T246-C249 WeakPolarHBondContact O-CA 3.24Å; T246-C249 WeakPolarHBondContact O-CB 3.22Å; T246-C249 PolarHBondContact O-N 3.4Å; C249-L252 PolarHBondContact O-N 3.22Å; C249-L253 WeakPolarHBondContact O-CB 3.42Å; C249-L253 VanDerWaalsContact O-CG 3.32Å; C249-L253 WeakPolarHBondContact O-CG 3.26Å; C249-L253 PolarHBondContact O-N 3.12Å; C249-L272 HydrophobicContact CB-CD1 4.21Å; C249-H276 HydrophobicContact CB-CB 3.97Å
250	D	45.6	Very low	43.8	Very low	64 Å²	64	66.8 Å²	66.8	34%	0.342	35%	0.35	S	S	.	.	H	α-helix	trans	-61	-45.4	174.5	-87.2	-30.8	0	0	0	112.4	T246 L247 V248 L252 N254 H276	T246-D250 PolarHBondContact O-N 2.81Å; L247-D250 WeakPolarHBondContact O-CB 3.23Å; L247-D250 PolarHBondContact O-N 2.89Å; V248-D250 VanDerWaalsContact C-N 3.27Å; V248-D250 PolarHBondContact O-N 3.5Å; D250-L252 VanDerWaalsContact C-N 3.31Å; D250-L252 PolarHBondContact O-N 3.47Å; D250-N254 WeakPolarHBondContact O-CB 3.46Å; D250-N254 VanDerWaalsContact O-CG 3.25Å; D250-N254 PolarHBondContact O-N 2.85Å; D250-N254 PolarHBondContact O-ND2 2.9Å; D250-H276 IonicContact OD1-CD2 2.68Å; D250-H276 IonicContact OD1-CE1 3.9Å; D250-H276 IonicContact OD1-NE2 2.69Å; D250-H276 PolarHBondContact OD1-NE2 3.38Å; D250-H276 VanDerWaalsContact OD1-NE2 3.17Å; D250-H276 IonicContact OD2-NE2 3.41Å
251	V	44.1	Very low	43.1	Very low	79 Å²	79	70.7 Å²	70.7	48%	0.479	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-40.6	176.9	170.7	0	0	0	0	110.4	L247 V248 R255	L247-V251 VanDerWaalsContact O-CG2 3.32Å; L247-V251 WeakPolarHBondContact O-CG2 3.49Å; L247-V251 PolarHBondContact O-N 3.29Å; V248-V251 PolarHBondContact O-N 3.46Å; V251-R255 HydrophobicContact CG1-CG 4.31Å; V251-R255 VanDerWaalsContact O-CB 3.31Å; V251-R255 WeakPolarHBondContact O-CB 3.22Å; V251-R255 VanDerWaalsContact O-CG 3.25Å; V251-R255 WeakPolarHBondContact O-CG 3.14Å; V251-R255 PolarHBondContact O-N 3.47Å
252	L	44.9	Very low	42.7	Very low	16 Å²	16	72.1 Å²	72.1	8%	0.084	39%	0.386	C	S	.	.	H	α-helix	trans	-70	-44.7	178.4	-68	178.8	0	0	0	112.1	L221 V248 C249 D250 N254 R255 I256 L272	L221-L252 HydrophobicContact CB-CD1 3.67Å; L221-L252 HydrophobicContact CB-CD2 4.05Å; L221-L252 HydrophobicContact CD1-CD2 3.96Å; L221-L252 HydrophobicContact CD2-CD2 4.01Å; L221-L252 HydrophobicContact CG-CD2 4.23Å; V248-L252 HydrophobicContact CG1-CD1 3.97Å; V248-L252 HydrophobicContact CG1-CG 4.42Å; V248-L252 WeakPolarHBondContact O-CB 3.24Å; V248-L252 VanDerWaalsContact O-CG 3.28Å; V248-L252 WeakPolarHBondContact O-CG 3.43Å; V248-L252 PolarHBondContact O-N 2.99Å; C249-L252 PolarHBondContact O-N 3.22Å; D250-L252 VanDerWaalsContact C-N 3.31Å; D250-L252 PolarHBondContact O-N 3.47Å; L252-N254 VanDerWaalsContact C-N 3.32Å; L252-N254 PolarHBondContact O-N 2.91Å; L252-R255 PolarHBondContact O-N 3Å; L252-I256 HydrophobicContact CB-CD1 4.37Å; L252-I256 WeakPolarHBondContact O-CB 3.44Å; L252-I256 WeakPolarHBondContact O-CG1 3.15Å; L252-I256 PolarHBondContact O-N 3.23Å; L252-L272 HydrophobicContact CB-CD2 3.68Å
253	L	46.3	Very low	42	Very low	28 Å²	28	75.5 Å²	75.5	15%	0.147	41%	0.411	C	S	.	.	H	α-helix	trans	-59.9	-45.6	173.4	-77	169.1	0	0	0	110	C249 C257 C269 L272 A273 H276	C249-L253 WeakPolarHBondContact O-CB 3.42Å; C249-L253 VanDerWaalsContact O-CG 3.32Å; C249-L253 WeakPolarHBondContact O-CG 3.26Å; C249-L253 PolarHBondContact O-N 3.12Å; L253-C257 WeakPolarHBondContact O-CA 3.26Å; L253-C257 WeakPolarHBondContact O-CB 3.39Å; L253-C257 PolarHBondContact O-N 2.93Å; L253-C269 HydrophobicContact CD2-CB 4.37Å; L253-L272 HydrophobicContact CB-CD2 4.46Å; L253-L272 HydrophobicContact CD2-CB 4.08Å; L253-L272 HydrophobicContact CD2-CD2 3.73Å; L253-L272 HydrophobicContact CD2-CG 3.87Å; L253-L272 HydrophobicContact CG-CD2 3.66Å; L253-L272 HydrophobicContact CG-CG 3.84Å; L253-A273 HydrophobicContact CD2-CB 4.42Å; L253-H276 HydrophobicContact CD1-CB 4.05Å
254	N	44.2	Very low	41.5	Very low	103 Å²	103	76.9 Å²	76.9	55%	0.551	42%	0.419	S	S	*	.	H	α-helix	trans	-63	-47.4	175.2	-76.6	-47	0	0	0	110.9	D250 L252 S258	D250-N254 WeakPolarHBondContact O-CB 3.46Å; D250-N254 VanDerWaalsContact O-CG 3.25Å; D250-N254 PolarHBondContact O-N 2.85Å; D250-N254 PolarHBondContact O-ND2 2.9Å; L252-N254 VanDerWaalsContact C-N 3.32Å; L252-N254 PolarHBondContact O-N 2.91Å; N254-S258 WeakPolarHBondContact O-CA 3.12Å; N254-S258 WeakPolarHBondContact O-CB 3.27Å; N254-S258 PolarHBondContact O-N 3.42Å; N254-S258 PolarHBondContact O-OG 3.36Å
255	R	43.1	Very low	41.1	Very low	170 Å²	170	83.1 Å²	83.1	64%	0.642	44%	0.438	S	S	*	.	H	α-helix	trans	-72.8	-34.2	-176.7	-71.5	-69.4	-172.3	174.2	1.7	113.7	V251 L252	V251-R255 HydrophobicContact CG1-CG 4.31Å; V251-R255 VanDerWaalsContact O-CB 3.31Å; V251-R255 WeakPolarHBondContact O-CB 3.22Å; V251-R255 VanDerWaalsContact O-CG 3.25Å; V251-R255 WeakPolarHBondContact O-CG 3.14Å; V251-R255 PolarHBondContact O-N 3.47Å; L252-R255 PolarHBondContact O-N 3Å
256	I	40.7	Very low	40.5	Very low	72 Å²	72	85.8 Å²	85.8	37%	0.369	46%	0.457	S	S	.	.	H	α-helix	trans	-80.8	-40.2	179.9	-63.6	169.9	0	0	0	110.6	L221 L252 L272	L221-I256 HydrophobicContact CD1-CD1 4.15Å; L252-I256 HydrophobicContact CB-CD1 4.37Å; L252-I256 WeakPolarHBondContact O-CB 3.44Å; L252-I256 WeakPolarHBondContact O-CG1 3.15Å; L252-I256 PolarHBondContact O-N 3.23Å; I256-L272 HydrophobicContact CD1-CD2 4.42Å
257	C	38.9	Very low	40	Very low	26 Å²	26	92.1 Å²	92.1	18%	0.176	49%	0.49	C	S	.	.	H	α-helix	trans	-99.9	-8.6	-175.6	-53	0	0	0	0	114.5	L253 V259	L253-C257 WeakPolarHBondContact O-CA 3.26Å; L253-C257 WeakPolarHBondContact O-CB 3.39Å; L253-C257 PolarHBondContact O-N 2.93Å; C257-V259 PolarHBondContact O-N 3.29Å
258	S	33.6	Very low	40	Very low	78 Å²	78	93.3 Å²	93.3	55%	0.545	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	7.7	174	69	0	0	0	0	114.2	N254 D260	N254-S258 WeakPolarHBondContact O-CA 3.12Å; N254-S258 WeakPolarHBondContact O-CB 3.27Å; N254-S258 PolarHBondContact O-N 3.42Å; N254-S258 PolarHBondContact O-OG 3.36Å; S258-D260 PolarHBondContact O-N 3.04Å
259	V	34	Very low	40.1	Very low	124 Å²	124	92.9 Å²	92.9	75%	0.752	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-10	173.8	-174.6	0	0	0	0	112.1	C257	C257-V259 PolarHBondContact O-N 3.29Å
260	D	29.3	Very low	40.1	Very low	141 Å²	141	98 Å²	98	75%	0.754	52%	0.517	S	S	*	.	S	Bend	trans	-140.1	137.6	169	-125.7	-20.4	0	0	0	113.7	S258 A262	S258-D260 PolarHBondContact O-N 3.04Å; D260-A262 PolarHBondContact O-N 2.66Å
261	E	31.8	Very low	40.2	Very low	176 Å²	176	97.1 Å²	97.1	82%	0.822	52%	0.515	S	S	*	.			trans	-55.9	123.6	-172.3	-73.4	177.8	149.3	0	0	112.5	T263	E261-T263 PolarHBondContact O-N 2.97Å; E261-T263 PolarHBondContact O-OG1 2.62Å
262	A	40.4	Very low	40.3	Very low	65 Å²	65	93.3 Å²	93.3	54%	0.537	49%	0.492	S	S	.	.	S	Bend	trans	63.5	-25.2	153.6	0	0	0	0	0	121.9	D260 R265	D260-A262 PolarHBondContact O-N 2.66Å; A262-R265 PolarHBondContact O-NE 3.06Å
263	T	37.4	Very low	40.5	Very low	122 Å²	122	93.2 Å²	93.2	75%	0.748	49%	0.493	S	S	*	.	S	Bend	trans	-122.3	-10.9	-158	2.3	0	0	0	0	120.3	E261	E261-T263 PolarHBondContact O-N 2.97Å; E261-T263 PolarHBondContact O-OG1 2.62Å
264	N	36	Very low	40.7	Very low	118 Å²	118	95 Å²	95	63%	0.631	51%	0.506	S	S	*	.			trans	-116.9	33.1	-179.9	-80.5	-22.2	0	0	0	114.4	V266	N264-V266 PolarHBondContact O-N 3.46Å
265	R	39.1	Very low	41.1	Very low	187 Å²	187	93.8 Å²	93.8	71%	0.706	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-12.3	-167	-62.4	-174	-164.7	-162.6	-0.8	118.1	A262	A262-R265 PolarHBondContact O-NE 3.06Å
266	V	34.7	Very low	41.7	Very low	98 Å²	98	87.1 Å²	87.1	59%	0.594	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	-19.7	-166.3	-174	0	0	0	0	113.8	N264	N264-V266 PolarHBondContact O-N 3.46Å
267	L	37	Very low	42.6	Very low	148 Å²	148	88.4 Å²	88.4	78%	0.775	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-22.5	-172.2	-75.8	168.5	0	0	0	114.6
268	E	45.3	Very low	43.7	Very low	130 Å²	130	92.6 Å²	92.6	61%	0.607	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-18	-168.6	-66.2	-171.4	167.4	0	0	114.4
269	C	48.2	Very low	44.6	Very low	5 Å²	5	89.2 Å²	89.2	3%	0.034	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.1	51.6	-179.9	-153.5	0	0	0	0	112.4	V214 L253 P271 L272 A273	V214-C269 WeakPolarHBondContact CG1-SG 3.35Å; L253-C269 HydrophobicContact CD2-CB 4.37Å; C269-P271 VanDerWaalsContact C-N 3.27Å; C269-P271 VanDerWaalsContact O-N 3.12Å; C269-L272 HydrophobicContact CB-CB 4.28Å; C269-L272 PolarHBondContact O-N 3.39Å; C269-L272 WeakPolarHBondContact SG-CB 3.29Å; C269-A273 PolarHBondContact O-N 3.13Å
270	L	47.8	Very low	45.6	Very low	108 Å²	108	85.3 Å²	85.3	57%	0.565	45%	0.45	S	S	*	.	H	α-helix	trans	-47.1	-40.8	-178.2	-173.3	70	0	0	0	114	T274	L270-T274 WeakPolarHBondContact O-CB 3.25Å; L270-T274 PolarHBondContact O-N 3.37Å; L270-T274 PolarHBondContact O-OG1 3.45Å
271	P	46.9	Very low	47.2	Very low	45 Å²	45	83.9 Å²	83.9	29%	0.292	44%	0.439	S	S	.	.	H	α-helix	trans	-64.4	-41.8	177.9	-22.2	34.5	0	0	0	113.7	V214 I218 C269 T274 Y275	V214-P271 HydrophobicContact CG1-CG 4.32Å; I218-P271 HydrophobicContact CD1-CB 3.95Å; C269-P271 VanDerWaalsContact C-N 3.27Å; C269-P271 VanDerWaalsContact O-N 3.12Å; P271-T274 PolarHBondContact O-N 3.47Å; P271-Y275 WeakPolarHBondContact O-CB 3.46Å; P271-Y275 PolarHBondContact O-N 3.4Å
272	L	46.1	Very low	48.5	Very low	0 Å²	0	79.3 Å²	79.3	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-70.1	-41.4	178.7	-173.7	61.4	0	0	0	111	I218 C249 L252 L253 I256 C269 Y275 H276	I218-L272 HydrophobicContact CD1-CB 3.58Å; I218-L272 HydrophobicContact CG1-CB 4.01Å; I218-L272 HydrophobicContact CG1-CD1 4.23Å; I218-L272 HydrophobicContact CG1-CG 4.49Å; I218-L272 HydrophobicContact CG2-CD1 3.81Å; C249-L272 HydrophobicContact CB-CD1 4.21Å; L252-L272 HydrophobicContact CB-CD2 3.68Å; L253-L272 HydrophobicContact CB-CD2 4.46Å; L253-L272 HydrophobicContact CD2-CB 4.08Å; L253-L272 HydrophobicContact CD2-CD2 3.73Å; L253-L272 HydrophobicContact CD2-CG 3.87Å; L253-L272 HydrophobicContact CG-CD2 3.66Å; L253-L272 HydrophobicContact CG-CG 3.84Å; I256-L272 HydrophobicContact CD1-CD2 4.42Å; C269-L272 HydrophobicContact CB-CB 4.28Å; C269-L272 PolarHBondContact O-N 3.39Å; C269-L272 WeakPolarHBondContact SG-CB 3.29Å; L272-Y275 PolarHBondContact O-N 2.93Å; L272-H276 VanDerWaalsContact O-CB 3.29Å; L272-H276 WeakPolarHBondContact O-CB 3.43Å; L272-H276 PolarHBondContact O-N 3.38Å
273	A	49.1	Very low	49	Very low	14 Å²	14	77.7 Å²	77.7	12%	0.116	40%	0.402	C	S	.	.	H	α-helix	trans	-61.6	-44.1	174.8	0	0	0	0	0	111.3	L253 C269 Y275 H276 D277	L253-A273 HydrophobicContact CD2-CB 4.42Å; C269-A273 PolarHBondContact O-N 3.13Å; A273-Y275 VanDerWaalsContact C-N 3.34Å; A273-Y275 PolarHBondContact O-N 2.8Å; A273-H276 PolarHBondContact O-N 2.82Å; A273-D277 WeakPolarHBondContact O-CB 3.37Å; A273-D277 PolarHBondContact O-N 2.86Å
274	T	51.8	Low	49.7	Very low	66 Å²	66	78.4 Å²	78.4	41%	0.405	40%	0.395	S	S	.	.	H	α-helix	trans	-62.8	-41.6	176.8	-53.7	0	0	0	0	111.4	L270 P271 D277 M278	L270-T274 WeakPolarHBondContact O-CB 3.25Å; L270-T274 PolarHBondContact O-N 3.37Å; L270-T274 PolarHBondContact O-OG1 3.45Å; P271-T274 PolarHBondContact O-N 3.47Å; T274-D277 PolarHBondContact O-N 3.47Å; T274-M278 WeakPolarHBondContact O-CB 3.36Å; T274-M278 VanDerWaalsContact O-CG 3.31Å; T274-M278 WeakPolarHBondContact O-CG 3.32Å; T274-M278 PolarHBondContact O-N 2.8Å
275	Y	51.5	Low	50.7	Low	77 Å²	77	77.6 Å²	77.6	30%	0.302	39%	0.386	S	S	.	.	H	α-helix	trans	-67.6	-42.9	177.6	-176.5	-113.9	0	0	0	112	L222 P271 L272 A273 D277 M278 I279	L222-Y275 HydrophobicContact CD1-CD1 3.83Å; L222-Y275 HydrophobicContact CD1-CE1 3.54Å; L222-Y275 HydrophobicContact CD2-CD1 4.29Å; L222-Y275 HydrophobicContact CD2-CE1 3.78Å; L222-Y275 HydrophobicContact CG-CE1 4.34Å; P271-Y275 WeakPolarHBondContact O-CB 3.46Å; P271-Y275 PolarHBondContact O-N 3.4Å; L272-Y275 PolarHBondContact O-N 2.93Å; A273-Y275 VanDerWaalsContact C-N 3.34Å; A273-Y275 PolarHBondContact O-N 2.8Å; Y275-D277 PolarHBondContact O-N 2.8Å; Y275-M278 PolarHBondContact O-N 3.28Å; Y275-I279 HydrophobicContact CD1-CD1 3.75Å; Y275-I279 HydrophobicContact CD2-CD1 4.47Å; Y275-I279 HydrophobicContact CE1-CD1 3.32Å; Y275-I279 HydrophobicContact CE1-CG1 4.35Å; Y275-I279 HydrophobicContact CE2-CD1 4.08Å; Y275-I279 HydrophobicContact CE2-CG1 4.28Å; Y275-I279 HydrophobicContact CG-CD1 4.32Å; Y275-I279 WeakPolarHBondContact O-CG1 3.33Å; Y275-I279 PolarHBondContact O-N 2.83Å
276	H	55.1	Low	51.6	Low	29 Å²	29	70.9 Å²	70.9	13%	0.134	37%	0.366	C	S	.	.	H	α-helix	trans	-57	-46.7	172.2	174.1	-85.6	0	0	0	112	T246 C249 D250 L253 L272 A273 I279 S280	T246-H276 WeakPolarHBondContact CG2-NE2 3.46Å; C249-H276 HydrophobicContact CB-CB 3.97Å; D250-H276 IonicContact OD1-CD2 2.68Å; D250-H276 IonicContact OD1-CE1 3.9Å; D250-H276 IonicContact OD1-NE2 2.69Å; D250-H276 PolarHBondContact OD1-NE2 3.38Å; D250-H276 VanDerWaalsContact OD1-NE2 3.17Å; D250-H276 IonicContact OD2-NE2 3.41Å; L253-H276 HydrophobicContact CD1-CB 4.05Å; L272-H276 VanDerWaalsContact O-CB 3.29Å; L272-H276 WeakPolarHBondContact O-CB 3.43Å; L272-H276 PolarHBondContact O-N 3.38Å; A273-H276 PolarHBondContact O-N 2.82Å; H276-I279 PolarHBondContact O-N 3.46Å; H276-S280 WeakPolarHBondContact O-CB 3.44Å; H276-S280 PolarHBondContact O-N 2.92Å; H276-S280 PolarHBondContact O-OG 2.91Å
277	D	60.5	Low	52.5	Low	100 Å²	100	69.8 Å²	69.8	54%	0.535	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-42.4	178.2	-70.2	-12.9	0	0	0	111.1	A273 T274 Y275 S280 E281	A273-D277 WeakPolarHBondContact O-CB 3.37Å; A273-D277 PolarHBondContact O-N 2.86Å; T274-D277 PolarHBondContact O-N 3.47Å; Y275-D277 PolarHBondContact O-N 2.8Å; D277-S280 PolarHBondContact O-N 3.3Å; D277-E281 VanDerWaalsContact O-CB 3.28Å; D277-E281 WeakPolarHBondContact O-CB 3.22Å; D277-E281 PolarHBondContact O-N 3.25Å
278	M	61.3	Low	52.6	Low	113 Å²	113	63.5 Å²	63.5	56%	0.557	33%	0.325	S	S	*	.	H	α-helix	trans	-60.4	-45.6	175.7	-78.3	-178.4	64.8	0	0	112.5	T274 Y275 E281 D282	T274-M278 WeakPolarHBondContact O-CB 3.36Å; T274-M278 VanDerWaalsContact O-CG 3.31Å; T274-M278 WeakPolarHBondContact O-CG 3.32Å; T274-M278 PolarHBondContact O-N 2.8Å; Y275-M278 PolarHBondContact O-N 3.28Å; M278-E281 PolarHBondContact O-N 3.1Å; M278-D282 WeakPolarHBondContact O-CB 3.18Å; M278-D282 PolarHBondContact O-N 2.83Å
279	I	53.1	Low	52.9	Low	8 Å²	8	61.6 Å²	61.6	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-41.2	178.6	-60.6	161.8	0	0	0	110.5	K242 E245 T246 Y275 H276 D282 I283	K242-I279 HydrophobicContact CB-CG2 3.93Å; K242-I279 HydrophobicContact CG-CG2 4.39Å; K242-I279 WeakPolarHBondContact O-CG2 3.23Å; E245-I279 HydrophobicContact CB-CD1 3.78Å; T246-I279 WeakPolarHBondContact OG1-CG2 3.31Å; Y275-I279 HydrophobicContact CD1-CD1 3.75Å; Y275-I279 HydrophobicContact CD2-CD1 4.47Å; Y275-I279 HydrophobicContact CE1-CD1 3.32Å; Y275-I279 HydrophobicContact CE1-CG1 4.35Å; Y275-I279 HydrophobicContact CE2-CD1 4.08Å; Y275-I279 HydrophobicContact CE2-CG1 4.28Å; Y275-I279 HydrophobicContact CG-CD1 4.32Å; Y275-I279 WeakPolarHBondContact O-CG1 3.33Å; Y275-I279 PolarHBondContact O-N 2.83Å; H276-I279 PolarHBondContact O-N 3.46Å; I279-D282 WeakPolarHBondContact O-CB 3.41Å; I279-D282 PolarHBondContact O-N 3.48Å; I279-I283 HydrophobicContact CG2-CD1 3.94Å; I279-I283 HydrophobicContact CG2-CG1 4.39Å; I279-I283 VanDerWaalsContact O-CG1 3.32Å; I279-I283 WeakPolarHBondContact O-CG1 3.42Å; I279-I283 PolarHBondContact O-N 3.49Å
280	S	54.6	Low	53.1	Low	42 Å²	42	67.3 Å²	67.3	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-62.2	-43.1	177.7	-62.9	0	0	0	0	112	H276 D277 I283 F284	H276-S280 WeakPolarHBondContact O-CB 3.44Å; H276-S280 PolarHBondContact O-N 2.92Å; H276-S280 PolarHBondContact O-OG 2.91Å; D277-S280 PolarHBondContact O-N 3.3Å; S280-I283 PolarHBondContact O-N 3.28Å; S280-F284 WeakPolarHBondContact O-CB 3.46Å; S280-F284 PolarHBondContact O-N 3.1Å
281	E	62.7	Low	53.1	Low	111 Å²	111	66.6 Å²	66.6	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-43.4	174.8	-176.6	172.6	-159.8	0	0	110.9	D277 M278 I283 F284 F285	D277-E281 VanDerWaalsContact O-CB 3.28Å; D277-E281 WeakPolarHBondContact O-CB 3.22Å; D277-E281 PolarHBondContact O-N 3.25Å; M278-E281 PolarHBondContact O-N 3.1Å; E281-I283 PolarHBondContact O-N 3.41Å; E281-F284 PolarHBondContact O-N 3Å; E281-F285 HydrophobicContact CG-CD2 3.55Å; E281-F285 HydrophobicContact CG-CE2 3.34Å; E281-F285 VanDerWaalsContact O-CD2 3.23Å; E281-F285 WeakPolarHBondContact O-CD2 3.31Å; E281-F285 PolarHBondContact O-N 3.38Å; E281-F285 WeakPolarHBondContact OE1-CE2 3.37Å
282	D	59.1	Low	53.2	Low	80 Å²	80	69.4 Å²	69.4	43%	0.428	35%	0.352	S	S	.	.	H	α-helix	trans	-60.1	-44.1	174.6	-105.3	25.6	0	0	0	112.8	K242 M278 I279 T286	K242-D282 HydrophobicContact CD-CB 4.38Å; K242-D282 IonicContact NZ-OD2 2.95Å; K242-D282 PolarHBondContact NZ-OD2 3.02Å; M278-D282 WeakPolarHBondContact O-CB 3.18Å; M278-D282 PolarHBondContact O-N 2.83Å; I279-D282 WeakPolarHBondContact O-CB 3.41Å; I279-D282 PolarHBondContact O-N 3.48Å; D282-T286 VanDerWaalsContact O-CB 3.31Å; D282-T286 WeakPolarHBondContact O-CB 3.25Å; D282-T286 PolarHBondContact O-N 2.91Å; D282-T286 PolarHBondContact O-OG1 3.26Å
283	I	51.9	Low	54.1	Low	30 Å²	30	75.7 Å²	75.7	15%	0.154	38%	0.379	C	S	.	.	H	α-helix	trans	-63.5	-45.4	176.1	-68.9	164.5	0	0	0	109.9	K242 L243 T246 I279 S280 E281 T286 E287	K242-I283 HydrophobicContact CB-CD1 4Å; K242-I283 HydrophobicContact CB-CG1 3.81Å; K242-I283 HydrophobicContact CD-CG1 4.3Å; L243-I283 HydrophobicContact CD2-CD1 4Å; L243-I283 HydrophobicContact CG-CD1 4.31Å; T246-I283 WeakPolarHBondContact OG1-CD1 3.35Å; I279-I283 HydrophobicContact CG2-CD1 3.94Å; I279-I283 HydrophobicContact CG2-CG1 4.39Å; I279-I283 VanDerWaalsContact O-CG1 3.32Å; I279-I283 WeakPolarHBondContact O-CG1 3.42Å; I279-I283 PolarHBondContact O-N 3.49Å; S280-I283 PolarHBondContact O-N 3.28Å; E281-I283 PolarHBondContact O-N 3.41Å; I283-T286 PolarHBondContact O-N 3.05Å; I283-E287 PolarHBondContact O-N 2.9Å
284	F	51.6	Low	54.6	Low	137 Å²	137	82.1 Å²	82.1	60%	0.601	40%	0.402	S	S	*	.	I	π-helix	trans	-62.3	-43.5	178.4	178.5	-96.4	0	0	0	112.2	S280 E281 G288 L289	S280-F284 WeakPolarHBondContact O-CB 3.46Å; S280-F284 PolarHBondContact O-N 3.1Å; E281-F284 PolarHBondContact O-N 3Å; F284-G288 WeakPolarHBondContact O-CA 3.19Å; F284-G288 PolarHBondContact O-N 3.49Å; F284-L289 PolarHBondContact O-N 3.3Å
285	F	58	Low	54.9	Low	101 Å²	101	84 Å²	84	44%	0.443	41%	0.406	S	S	.	.	I	π-helix	trans	-71.6	-32.2	177.4	-78.7	-56.9	0	0	0	113.2	E281 L289	E281-F285 HydrophobicContact CG-CD2 3.55Å; E281-F285 HydrophobicContact CG-CE2 3.34Å; E281-F285 VanDerWaalsContact O-CD2 3.23Å; E281-F285 WeakPolarHBondContact O-CD2 3.31Å; E281-F285 PolarHBondContact O-N 3.38Å; E281-F285 WeakPolarHBondContact OE1-CE2 3.37Å; F285-L289 HydrophobicContact CD1-CD1 3.57Å; F285-L289 HydrophobicContact CD1-CG 4.06Å; F285-L289 HydrophobicContact CE1-CD1 4.29Å; F285-L289 WeakPolarHBondContact O-CB 3.25Å
286	T	57.7	Low	55.6	Low	46 Å²	46	84.3 Å²	84.3	28%	0.282	41%	0.411	S	S	.	.	I	π-helix	trans	-73.9	-59.7	178	-50.7	0	0	0	0	110.3	I239 D282 I283 E290	I239-T286 HydrophobicContact CG1-CG2 4.47Å; D282-T286 VanDerWaalsContact O-CB 3.31Å; D282-T286 WeakPolarHBondContact O-CB 3.25Å; D282-T286 PolarHBondContact O-N 2.91Å; D282-T286 PolarHBondContact O-OG1 3.26Å; I283-T286 PolarHBondContact O-N 3.05Å; T286-E290 WeakPolarHBondContact O-CB 3.2Å; T286-E290 WeakPolarHBondContact O-CG 3.07Å; T286-E290 PolarHBondContact O-N 2.93Å
287	E	52.2	Low	56.3	Low	75 Å²	75	86.8 Å²	86.8	35%	0.35	43%	0.426	S	S	.	.	I	π-helix	trans	-83.4	-42.1	-173.6	-167.1	68.3	-166.1	0	0	112.2	I239 I283 E290 M291	I239-E287 VanDerWaalsContact CD1-OE2 3.31Å; I239-E287 WeakPolarHBondContact CD1-OE2 3.35Å; I283-E287 PolarHBondContact O-N 2.9Å; E287-E290 PolarHBondContact O-N 3.25Å; E287-M291 HydrophobicContact CG-CE 4.19Å; E287-M291 VanDerWaalsContact O-CB 3.31Å; E287-M291 WeakPolarHBondContact O-CB 3.47Å; E287-M291 WeakPolarHBondContact O-CG 3.18Å; E287-M291 PolarHBondContact O-N 2.74Å
288	G	39.9	Very low	56.7	Low	17 Å²	17	84.3 Å²	84.3	18%	0.175	41%	0.413	C	S	.	.	I	π-helix	trans	-65.6	-45.1	-176.4	0	0	0	0	0	112.1	F284 L292	F284-G288 WeakPolarHBondContact O-CA 3.19Å; F284-G288 PolarHBondContact O-N 3.49Å; G288-L292 VanDerWaalsContact O-CB 3.27Å; G288-L292 WeakPolarHBondContact O-CB 3.48Å; G288-L292 PolarHBondContact O-N 3.15Å
289	L	52	Low	56.7	Low	90 Å²	90	83.5 Å²	83.5	47%	0.471	41%	0.41	S	S	.	.	H	α-helix	trans	-74.6	-34.6	175.8	-66.3	-177.8	0	0	0	113	F284 F285 L292 K293	F284-L289 PolarHBondContact O-N 3.3Å; F285-L289 HydrophobicContact CD1-CD1 3.57Å; F285-L289 HydrophobicContact CD1-CG 4.06Å; F285-L289 HydrophobicContact CE1-CD1 4.29Å; F285-L289 WeakPolarHBondContact O-CB 3.25Å; L289-L292 PolarHBondContact O-N 3.25Å; L289-K293 WeakPolarHBondContact O-CB 3.49Å; L289-K293 PolarHBondContact O-N 3.21Å
290	E	51.8	Low	57.2	Low	124 Å²	124	87.4 Å²	87.4	58%	0.579	43%	0.431	S	S	*	.	H	α-helix	trans	-65.3	-43.1	175.3	-78.5	-176.8	177.2	0	0	111.5	T286 E287 K293 Y294	T286-E290 WeakPolarHBondContact O-CB 3.2Å; T286-E290 WeakPolarHBondContact O-CG 3.07Å; T286-E290 PolarHBondContact O-N 2.93Å; E287-E290 PolarHBondContact O-N 3.25Å; E290-K293 PolarHBondContact O-N 3.36Å; E290-Y294 WeakPolarHBondContact O-CB 3.41Å; E290-Y294 PolarHBondContact O-N 3.02Å
291	M	48.4	Very low	57.7	Low	94 Å²	94	91.1 Å²	91.1	46%	0.463	44%	0.444	S	S	.	.	H	α-helix	trans	-63.2	-43.8	171.9	-78.5	-164.1	-59.3	0	0	112	E287 K293 Y294 H295	E287-M291 HydrophobicContact CG-CE 4.19Å; E287-M291 VanDerWaalsContact O-CB 3.31Å; E287-M291 WeakPolarHBondContact O-CB 3.47Å; E287-M291 WeakPolarHBondContact O-CG 3.18Å; E287-M291 PolarHBondContact O-N 2.74Å; M291-K293 VanDerWaalsContact C-N 3.29Å; M291-K293 PolarHBondContact O-N 2.8Å; M291-Y294 PolarHBondContact O-N 3.1Å; M291-H295 PolarHBondContact O-CD2 3.36Å; M291-H295 PolarHBondContact O-N 2.99Å
292	L	49.3	Very low	57.3	Low	104 Å²	104	90.5 Å²	90.5	55%	0.545	44%	0.444	S	S	.	.	H	α-helix	trans	-63.4	-40.1	179	-150	111.8	0	0	0	110.9	G288 L289 H295 I296	G288-L292 VanDerWaalsContact O-CB 3.27Å; G288-L292 WeakPolarHBondContact O-CB 3.48Å; G288-L292 PolarHBondContact O-N 3.15Å; L289-L292 PolarHBondContact O-N 3.25Å; L292-H295 PolarHBondContact O-N 2.98Å; L292-I296 HydrophobicContact CD2-CD1 3.72Å; L292-I296 HydrophobicContact CG-CD1 4.37Å; L292-I296 WeakPolarHBondContact O-CB 3.34Å; L292-I296 WeakPolarHBondContact O-CG1 3.45Å; L292-I296 PolarHBondContact O-N 3.34Å
293	K	64.3	Low	57.1	Low	131 Å²	131	90.8 Å²	90.8	57%	0.57	45%	0.445	S	S	*	.	H	α-helix	trans	-63.3	-47	173.5	-177.7	-176.1	174.3	-169.8	0	111.2	L289 E290 M291 H295 I296 D297	L289-K293 WeakPolarHBondContact O-CB 3.49Å; L289-K293 PolarHBondContact O-N 3.21Å; E290-K293 PolarHBondContact O-N 3.36Å; M291-K293 VanDerWaalsContact C-N 3.29Å; M291-K293 PolarHBondContact O-N 2.8Å; K293-H295 VanDerWaalsContact C-N 3.3Å; K293-H295 PolarHBondContact O-N 3.48Å; K293-I296 PolarHBondContact O-N 2.91Å; K293-D297 WeakPolarHBondContact O-CB 3.24Å; K293-D297 VanDerWaalsContact O-CG 3.25Å; K293-D297 PolarHBondContact O-N 3.45Å
294	Y	60.1	Low	57.1	Low	150 Å²	150	94.2 Å²	94.2	59%	0.588	46%	0.463	S	S	*	.	H	α-helix	trans	-57.5	-43.4	175.9	177.4	-104.4	0	0	0	111.7	E290 M291 N298	E290-Y294 WeakPolarHBondContact O-CB 3.41Å; E290-Y294 PolarHBondContact O-N 3.02Å; M291-Y294 PolarHBondContact O-N 3.1Å; Y294-N298 WeakPolarHBondContact CD1-ND2 3.45Å; Y294-N298 WeakPolarHBondContact CE1-ND2 3.43Å; Y294-N298 WeakPolarHBondContact O-CB 3.21Å; Y294-N298 PolarHBondContact O-N 3.33Å; Y294-N298 PolarHBondContact O-ND2 2.88Å
295	H	57.1	Low	57.2	Low	106 Å²	106	91.6 Å²	91.6	49%	0.491	46%	0.455	S	S	.	.	H	α-helix	trans	-66.4	-43.8	175.4	-78.6	-59.6	0	0	0	112.8	M291 L292 K293 N298 D299	M291-H295 PolarHBondContact O-CD2 3.36Å; M291-H295 PolarHBondContact O-N 2.99Å; L292-H295 PolarHBondContact O-N 2.98Å; K293-H295 VanDerWaalsContact C-N 3.3Å; K293-H295 PolarHBondContact O-N 3.48Å; H295-N298 PolarHBondContact O-N 2.85Å; H295-D299 VanDerWaalsContact O-CB 3.3Å; H295-D299 WeakPolarHBondContact O-CB 3.49Å; H295-D299 PolarHBondContact O-N 3.42Å
296	I	66.3	Low	56.8	Low	82 Å²	82	92.3 Å²	92.3	42%	0.421	46%	0.461	S	S	.	.	H	α-helix	trans	-62.1	-43.9	175.9	-71.8	166.5	0	0	0	111.1	L292 K293 D299 L300	L292-I296 HydrophobicContact CD2-CD1 3.72Å; L292-I296 HydrophobicContact CG-CD1 4.37Å; L292-I296 WeakPolarHBondContact O-CB 3.34Å; L292-I296 WeakPolarHBondContact O-CG1 3.45Å; L292-I296 PolarHBondContact O-N 3.34Å; K293-I296 PolarHBondContact O-N 2.91Å; I296-D299 PolarHBondContact O-N 2.95Å; I296-L300 HydrophobicContact CG2-CD1 3.73Å; I296-L300 HydrophobicContact CG2-CG 4.26Å; I296-L300 VanDerWaalsContact O-CB 3.29Å; I296-L300 WeakPolarHBondContact O-CB 3.16Å; I296-L300 WeakPolarHBondContact O-CG 3.29Å; I296-L300 PolarHBondContact O-N 2.8Å
297	D	70.2	Confident	56.4	Low	82 Å²	82	95.9 Å²	95.9	44%	0.439	48%	0.475	S	S	.	.	H	α-helix	trans	-64.6	-42.3	-179.9	-71.5	-16.9	0	0	0	110.6	K293 L300 E301	K293-D297 WeakPolarHBondContact O-CB 3.24Å; K293-D297 VanDerWaalsContact O-CG 3.25Å; K293-D297 PolarHBondContact O-N 3.45Å; D297-L300 PolarHBondContact O-N 2.83Å; D297-E301 WeakPolarHBondContact O-CB 3.29Å; D297-E301 PolarHBondContact O-N 2.68Å
298	N	68.7	Low	56.5	Low	48 Å²	48	95.8 Å²	95.8	26%	0.257	48%	0.479	S	S	.	.	H	α-helix	trans	-66.9	-42.9	174.5	-68	-34.9	0	0	0	112.5	Y294 H295 L300 E301 D302	Y294-N298 WeakPolarHBondContact CD1-ND2 3.45Å; Y294-N298 WeakPolarHBondContact CE1-ND2 3.43Å; Y294-N298 WeakPolarHBondContact O-CB 3.21Å; Y294-N298 PolarHBondContact O-N 3.33Å; Y294-N298 PolarHBondContact O-ND2 2.88Å; H295-N298 PolarHBondContact O-N 2.85Å; N298-L300 VanDerWaalsContact C-N 3.3Å; N298-L300 PolarHBondContact O-N 3.28Å; N298-E301 PolarHBondContact O-N 2.97Å; N298-D302 WeakPolarHBondContact O-CB 3.5Å; N298-D302 PolarHBondContact O-N 3.37Å
299	D	61.4	Low	56.8	Low	95 Å²	95	100.2 Å²	100.2	51%	0.508	50%	0.495	S	S	.	.	H	α-helix	trans	-64.9	-36.7	178.1	-74.6	-13.7	0	0	0	110.8	H295 I296 I303	H295-D299 VanDerWaalsContact O-CB 3.3Å; H295-D299 WeakPolarHBondContact O-CB 3.49Å; H295-D299 PolarHBondContact O-N 3.42Å; I296-D299 PolarHBondContact O-N 2.95Å; D299-I303 WeakPolarHBondContact O-CB 3.17Å; D299-I303 WeakPolarHBondContact O-CD1 3.45Å; D299-I303 WeakPolarHBondContact O-CG1 3.36Å; D299-I303 PolarHBondContact O-N 2.97Å
300	L	64.5	Low	56.4	Low	90 Å²	90	102.2 Å²	102.2	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-68	-41.2	173.3	-75.7	170.9	0	0	0	111.8	I296 D297 N298 D302 I303 D304	I296-L300 HydrophobicContact CG2-CD1 3.73Å; I296-L300 HydrophobicContact CG2-CG 4.26Å; I296-L300 VanDerWaalsContact O-CB 3.29Å; I296-L300 WeakPolarHBondContact O-CB 3.16Å; I296-L300 WeakPolarHBondContact O-CG 3.29Å; I296-L300 PolarHBondContact O-N 2.8Å; D297-L300 PolarHBondContact O-N 2.83Å; N298-L300 VanDerWaalsContact C-N 3.3Å; N298-L300 PolarHBondContact O-N 3.28Å; L300-D302 VanDerWaalsContact C-N 3.32Å; L300-D302 PolarHBondContact O-N 3.05Å; L300-I303 PolarHBondContact O-N 3.15Å; L300-D304 PolarHBondContact O-N 3.27Å
301	E	63.8	Low	55.9	Low	121 Å²	121	103.2 Å²	103.2	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-62.9	-39.8	174.7	-167.6	170.8	-167.8	0	0	111.3	D297 N298 D304 L305	D297-E301 WeakPolarHBondContact O-CB 3.29Å; D297-E301 PolarHBondContact O-N 2.68Å; N298-E301 PolarHBondContact O-N 2.97Å; E301-D304 PolarHBondContact O-N 3.34Å; E301-L305 WeakPolarHBondContact O-CB 3.41Å; E301-L305 VanDerWaalsContact O-CG 3.29Å; E301-L305 WeakPolarHBondContact O-CG 3.13Å; E301-L305 PolarHBondContact O-N 2.94Å
302	D	55.2	Low	55.7	Low	98 Å²	98	101.7 Å²	101.7	52%	0.524	50%	0.503	S	S	.	.	H	α-helix	trans	-66.2	-37.1	173.3	-83.9	-14.1	0	0	0	112.5	N298 L300 L305 M306	N298-D302 WeakPolarHBondContact O-CB 3.5Å; N298-D302 PolarHBondContact O-N 3.37Å; L300-D302 VanDerWaalsContact C-N 3.32Å; L300-D302 PolarHBondContact O-N 3.05Å; D302-L305 PolarHBondContact O-N 2.85Å; D302-M306 VanDerWaalsContact O-CB 3.31Å; D302-M306 WeakPolarHBondContact O-CB 3.45Å; D302-M306 VanDerWaalsContact O-CG 3.24Å; D302-M306 WeakPolarHBondContact O-CG 3.49Å; D302-M306 PolarHBondContact O-N 3.37Å
303	I	55.2	Low	55.4	Low	86 Å²	86	104.1 Å²	104.1	44%	0.441	51%	0.509	S	S	.	.	H	α-helix	trans	-67.5	-45.1	173.7	-71.6	164.7	0	0	0	110.7	D299 L300 L305 M306 E307	D299-I303 WeakPolarHBondContact O-CB 3.17Å; D299-I303 WeakPolarHBondContact O-CD1 3.45Å; D299-I303 WeakPolarHBondContact O-CG1 3.36Å; D299-I303 PolarHBondContact O-N 2.97Å; L300-I303 PolarHBondContact O-N 3.15Å; I303-L305 VanDerWaalsContact C-N 3.28Å; I303-L305 PolarHBondContact O-N 3.19Å; I303-M306 CarbonylContact O-C 3.59Å; I303-M306 WeakPolarHBondContact O-CB 3.49Å; I303-M306 PolarHBondContact O-N 2.95Å; I303-M306 VanDerWaalsContact O-N 3.08Å; I303-E307 HydrophobicContact CG2-CG 4.35Å; I303-E307 PolarHBondContact O-N 3.39Å
304	D	50.8	Low	54.3	Low	102 Å²	102	101.9 Å²	101.9	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-60.4	-39.7	175.6	-83.5	-11.8	0	0	0	110.9	L300 E301 T308	L300-D304 PolarHBondContact O-N 3.27Å; E301-D304 PolarHBondContact O-N 3.34Å; D304-T308 VanDerWaalsContact O-CB 3.32Å; D304-T308 WeakPolarHBondContact O-CB 3.48Å; D304-T308 VanDerWaalsContact O-CG2 3.23Å; D304-T308 WeakPolarHBondContact O-CG2 3.32Å; D304-T308 PolarHBondContact O-N 3.46Å; D304-T308 PolarHBondContact O-OG1 2.92Å
305	L	54.1	Low	53.5	Low	81 Å²	81	98.5 Å²	98.5	42%	0.424	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-40.9	172	-77.9	164.9	0	0	0	112.1	E301 D302 I303 T308 H309	E301-L305 WeakPolarHBondContact O-CB 3.41Å; E301-L305 VanDerWaalsContact O-CG 3.29Å; E301-L305 WeakPolarHBondContact O-CG 3.13Å; E301-L305 PolarHBondContact O-N 2.94Å; D302-L305 PolarHBondContact O-N 2.85Å; I303-L305 VanDerWaalsContact C-N 3.28Å; I303-L305 PolarHBondContact O-N 3.19Å; L305-T308 VanDerWaalsContact CA-OG1 3.3Å; L305-T308 WeakPolarHBondContact CA-OG1 3.46Å; L305-T308 PolarHBondContact O-OG1 3.48Å; L305-H309 WeakPolarHBondContact O-CB 3.36Å; L305-H309 PolarHBondContact O-CD2 3.41Å; L305-H309 PolarHBondContact O-N 3.23Å
306	M	49.5	Very low	52.7	Low	117 Å²	117	101 Å²	101	58%	0.576	51%	0.514	S	S	*	.	H	α-helix	trans	-69.5	-41.3	177.6	-81.9	-87.5	-70.9	0	0	112.7	D302 I303 H309 Q310	D302-M306 VanDerWaalsContact O-CB 3.31Å; D302-M306 WeakPolarHBondContact O-CB 3.45Å; D302-M306 VanDerWaalsContact O-CG 3.24Å; D302-M306 WeakPolarHBondContact O-CG 3.49Å; D302-M306 PolarHBondContact O-N 3.37Å; I303-M306 CarbonylContact O-C 3.59Å; I303-M306 WeakPolarHBondContact O-CB 3.49Å; I303-M306 PolarHBondContact O-N 2.95Å; I303-M306 VanDerWaalsContact O-N 3.08Å; M306-H309 CarbonylContact O-C 3.6Å; M306-H309 PolarHBondContact O-N 2.91Å; M306-Q310 WeakPolarHBondContact O-CB 3.38Å; M306-Q310 WeakPolarHBondContact O-CG 3.46Å; M306-Q310 PolarHBondContact O-N 3.3Å
307	E	50.4	Low	51.6	Low	121 Å²	121	105 Å²	105	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-67.2	-44.8	175.7	-76.3	-166.6	169.4	0	0	110.8	I303 H309 Q310 E311	I303-E307 HydrophobicContact CG2-CG 4.35Å; I303-E307 PolarHBondContact O-N 3.39Å; E307-H309 VanDerWaalsContact C-N 3.29Å; E307-H309 PolarHBondContact O-N 2.81Å; E307-Q310 PolarHBondContact O-N 3.4Å; E307-Q310 VanDerWaalsContact O-N 3.14Å; E307-E311 WeakPolarHBondContact O-CB 3.37Å; E307-E311 PolarHBondContact O-N 2.65Å
308	T	52.9	Low	50.3	Low	72 Å²	72	109.5 Å²	109.5	44%	0.442	55%	0.547	S	S	.	.	H	α-helix	trans	-62.8	-35.7	173.2	52	0	0	0	0	111.9	D304 L305 T312	D304-T308 VanDerWaalsContact O-CB 3.32Å; D304-T308 WeakPolarHBondContact O-CB 3.48Å; D304-T308 VanDerWaalsContact O-CG2 3.23Å; D304-T308 WeakPolarHBondContact O-CG2 3.32Å; D304-T308 PolarHBondContact O-N 3.46Å; D304-T308 PolarHBondContact O-OG1 2.92Å; L305-T308 VanDerWaalsContact CA-OG1 3.3Å; L305-T308 WeakPolarHBondContact CA-OG1 3.46Å; L305-T308 PolarHBondContact O-OG1 3.48Å; T308-T312 WeakPolarHBondContact O-CB 3.44Å; T308-T312 WeakPolarHBondContact O-CG2 3.44Å; T308-T312 PolarHBondContact O-N 3.17Å; T308-T312 PolarHBondContact O-OG1 3.3Å
309	H	47.5	Very low	49.1	Very low	111 Å²	111	117 Å²	117	51%	0.514	57%	0.573	S	S	.	*	H	α-helix	trans	-71.4	-31.5	172.7	-76.8	-39.3	0	0	0	114	L305 M306 E307 T312 K313	L305-H309 WeakPolarHBondContact O-CB 3.36Å; L305-H309 PolarHBondContact O-CD2 3.41Å; L305-H309 PolarHBondContact O-N 3.23Å; M306-H309 CarbonylContact O-C 3.6Å; M306-H309 PolarHBondContact O-N 2.91Å; E307-H309 VanDerWaalsContact C-N 3.29Å; E307-H309 PolarHBondContact O-N 2.81Å; H309-T312 VanDerWaalsContact CA-OG1 3.27Å; H309-T312 WeakPolarHBondContact CA-OG1 3.34Å; H309-T312 PolarHBondContact O-OG1 2.88Å; H309-K313 VanDerWaalsContact O-CB 3.32Å; H309-K313 WeakPolarHBondContact O-CB 3.49Å; H309-K313 WeakPolarHBondContact O-CG 3.21Å; H309-K313 PolarHBondContact O-N 2.64Å
310	Q	43.7	Very low	48.2	Very low	131 Å²	131	118.3 Å²	118.3	61%	0.612	61%	0.609	S	S	*	*	H	α-helix	trans	-76.9	-39.7	174	-78.4	-171.8	4.6	0	0	112.2	M306 E307 K313 S314	M306-Q310 WeakPolarHBondContact O-CB 3.38Å; M306-Q310 WeakPolarHBondContact O-CG 3.46Å; M306-Q310 PolarHBondContact O-N 3.3Å; E307-Q310 PolarHBondContact O-N 3.4Å; E307-Q310 VanDerWaalsContact O-N 3.14Å; Q310-K313 PolarHBondContact O-N 3.43Å; Q310-S314 VanDerWaalsContact O-CB 3.27Å; Q310-S314 WeakPolarHBondContact O-CB 3.26Å; Q310-S314 PolarHBondContact O-N 3.43Å
311	E	41.3	Very low	47.4	Very low	145 Å²	145	119.7 Å²	119.7	68%	0.678	62%	0.616	S	S	*	*	H	α-helix	trans	-63.1	-44.5	172	-78.5	-163.3	149.8	0	0	110.8	E307 S314 V315	E307-E311 WeakPolarHBondContact O-CB 3.37Å; E307-E311 PolarHBondContact O-N 2.65Å; E311-S314 WeakPolarHBondContact O-CB 3.38Å; E311-S314 PolarHBondContact O-N 3.37Å; E311-V315 VanDerWaalsContact O-CG2 3.24Å; E311-V315 WeakPolarHBondContact O-CG2 3.35Å; E311-V315 PolarHBondContact O-N 3.43Å
312	T	44	Very low	46.5	Very low	63 Å²	63	119.6 Å²	119.6	39%	0.387	62%	0.618	S	S	.	*	H	α-helix	trans	-64.9	-42.4	175.5	46.7	0	0	0	0	111.9	T308 H309 S314 V315 F316	T308-T312 WeakPolarHBondContact O-CB 3.44Å; T308-T312 WeakPolarHBondContact O-CG2 3.44Å; T308-T312 PolarHBondContact O-N 3.17Å; T308-T312 PolarHBondContact O-OG1 3.3Å; H309-T312 VanDerWaalsContact CA-OG1 3.27Å; H309-T312 WeakPolarHBondContact CA-OG1 3.34Å; H309-T312 PolarHBondContact O-OG1 2.88Å; T312-S314 PolarHBondContact O-N 3.04Å; T312-V315 PolarHBondContact O-N 2.61Å; T312-F316 WeakPolarHBondContact O-CD2 3.44Å; T312-F316 PolarHBondContact O-N 2.82Å
313	K	42.1	Very low	46	Very low	154 Å²	154	120.8 Å²	120.8	67%	0.67	62%	0.624	S	S	*	*	H	α-helix	trans	-63.6	-37.4	174.8	-82.2	179.1	178.5	173.8	0	113.2	H309 Q310 V315 F316 H317	H309-K313 VanDerWaalsContact O-CB 3.32Å; H309-K313 WeakPolarHBondContact O-CB 3.49Å; H309-K313 WeakPolarHBondContact O-CG 3.21Å; H309-K313 PolarHBondContact O-N 2.64Å; Q310-K313 PolarHBondContact O-N 3.43Å; K313-V315 VanDerWaalsContact C-N 3.34Å; K313-F316 PolarHBondContact O-N 3.34Å; K313-H317 PolarHBondContact O-N 3.34Å
314	S	42.1	Very low	45.5	Very low	84 Å²	84	122.9 Å²	122.9	59%	0.587	63%	0.634	S	S	*	*	H	α-helix	trans	-62.2	-41.6	173.2	170	0	0	0	0	111.5	Q310 E311 T312 K318	Q310-S314 VanDerWaalsContact O-CB 3.27Å; Q310-S314 WeakPolarHBondContact O-CB 3.26Å; Q310-S314 PolarHBondContact O-N 3.43Å; E311-S314 WeakPolarHBondContact O-CB 3.38Å; E311-S314 PolarHBondContact O-N 3.37Å; T312-S314 PolarHBondContact O-N 3.04Å; S314-K318 PolarHBondContact O-N 3.42Å
315	V	43	Very low	45.1	Very low	80 Å²	80	124.2 Å²	124.2	49%	0.485	64%	0.64	S	S	.	*	H	α-helix	trans	-68.1	-42.8	176	175.2	0	0	0	0	111.2	E311 T312 K313 H317 K318 Y319	E311-V315 VanDerWaalsContact O-CG2 3.24Å; E311-V315 WeakPolarHBondContact O-CG2 3.35Å; E311-V315 PolarHBondContact O-N 3.43Å; T312-V315 PolarHBondContact O-N 2.61Å; K313-V315 VanDerWaalsContact C-N 3.34Å; V315-H317 VanDerWaalsContact C-N 3.31Å; V315-H317 PolarHBondContact O-N 3.08Å; V315-K318 PolarHBondContact O-N 2.95Å; V315-K318 VanDerWaalsContact O-N 3.15Å; V315-Y319 HydrophobicContact CG1-CD2 4.22Å; V315-Y319 HydrophobicContact CG1-CE2 4.33Å; V315-Y319 WeakPolarHBondContact O-CD2 3.17Å
316	F	39.5	Very low	44.5	Very low	158 Å²	158	127.1 Å²	127.1	69%	0.693	65%	0.654	S	S	*	*	H	α-helix	trans	-66.8	-29.8	179.2	-80.7	-67.7	0	0	0	113.2	T312 K313 K318	T312-F316 WeakPolarHBondContact O-CD2 3.44Å; T312-F316 PolarHBondContact O-N 2.82Å; K313-F316 PolarHBondContact O-N 3.34Å; F316-K318 VanDerWaalsContact C-N 3.29Å; F316-K318 PolarHBondContact O-N 3.12Å
317	H	43.8	Very low	44.2	Very low	165 Å²	165	127.8 Å²	127.8	76%	0.764	66%	0.66	S	S	*	*	H	α-helix	trans	-76.7	-15.2	175.4	-121.3	-39	0	0	0	114.1	K313 V315	K313-H317 PolarHBondContact O-N 3.34Å; V315-H317 VanDerWaalsContact C-N 3.31Å; V315-H317 PolarHBondContact O-N 3.08Å
318	K	42.7	Very low	43.7	Very low	178 Å²	178	128.3 Å²	128.3	77%	0.774	67%	0.667	S	S	*	*	H	α-helix	trans	-89.7	-10	178	-138.2	179	-173.7	178.5	0	113.6	S314 V315 F316	S314-K318 PolarHBondContact O-N 3.42Å; V315-K318 PolarHBondContact O-N 2.95Å; V315-K318 VanDerWaalsContact O-N 3.15Å; F316-K318 VanDerWaalsContact C-N 3.29Å; F316-K318 PolarHBondContact O-N 3.12Å
319	Y	44.4	Very low	43	Very low	204 Å²	204	133 Å²	133	80%	0.8	69%	0.686	S	S	*	*			trans	-120.1	11.1	-179.2	-73.2	-76	0	0	0	114.3	V315	V315-Y319 HydrophobicContact CG1-CD2 4.22Å; V315-Y319 HydrophobicContact CG1-CE2 4.33Å; V315-Y319 WeakPolarHBondContact O-CD2 3.17Å
320	G	41.4	Very low	42.5	Very low	123 Å²	123	135 Å²	135	100%	1.268	70%	0.702	S	S	*	*			trans	-104.6	0	163.8	0	0	0	0	0	110.5

Retrieved 320 of 320 residues in 139.7 ms (Link to these results)

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